----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:59:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.937650700000002 12.218769545000001 b 2.852922760000000 0.000000000000000 12.218769545000001 c 2.852922760000000 6.937650700000002 0.000000000000000 Atomic positions (fractional): *1 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 2 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 *3 Se 0.90315352138156 0.20955923315882 0.29653863828597 78.960 4 Se 0.59074860717365 0.29653863828597 0.20955923315882 78.960 5 Se 0.29653863828597 0.59074860717365 0.90315352138156 78.960 6 Se 0.20955923315882 0.90315352138156 0.59074860717365 78.960 7 Se 0.04044076684118 0.34684647861844 0.65925139282635 78.960 8 Se 0.95346136171403 0.65925139282635 0.34684647861844 78.960 9 Se 0.65925139282635 0.95346136171403 0.04044076684118 78.960 10 Se 0.34684647861844 0.04044076684118 0.95346136171403 78.960 *11 Rb 0.67944115295565 0.67944115295565 0.32055884704435 85.468 12 Rb 0.32055884704435 0.32055884704435 0.67944115295565 85.468 13 Rb 0.57055884704435 0.57055884704435 0.92944115295565 85.468 14 Rb 0.92944115295565 0.92944115295565 0.57055884704435 85.468 *15 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 16 Ta 0.75000000000000 0.75000000000000 0.75000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.705845520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.875301400000003 0.000000000000000 c 0.000000000000000 0.000000000000000 24.437539090000001 Atomic positions (fractional): *1 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 1 2 Cu 0.25000000000000 0.75000000000000 0.75000000000000 63.546 > 2 3 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 1 4 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 > 2 5 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 1 6 Cu 0.75000000000000 0.75000000000000 0.25000000000000 63.546 > 2 7 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 1 8 Cu 0.75000000000000 0.25000000000000 0.75000000000000 63.546 > 2 *9 Se 0.25304893572240 0.59984607983377 0.55635637727019 78.960 > 3 10 Se 0.25304893572240 0.90015392016623 0.94364362272981 78.960 > 4 11 Se 0.24695106427760 0.59984607983377 0.94364362272981 78.960 > 5 12 Se 0.24695106427760 0.90015392016623 0.55635637727019 78.960 > 6 13 Se 0.50304893572239 0.84984607983377 0.69364362272981 78.960 > 7 14 Se 0.50304893572239 0.65015392016623 0.80635637727019 78.960 > 8 15 Se 0.99695106427761 0.84984607983377 0.80635637727019 78.960 > 9 16 Se 0.99695106427761 0.65015392016623 0.69364362272981 78.960 > 10 17 Se 0.25304893572240 0.09984607983377 0.05635637727019 78.960 > 3 18 Se 0.25304893572240 0.40015392016623 0.44364362272981 78.960 > 4 19 Se 0.24695106427760 0.09984607983377 0.44364362272981 78.960 > 5 20 Se 0.24695106427760 0.40015392016623 0.05635637727019 78.960 > 6 21 Se 0.50304893572239 0.34984607983377 0.19364362272981 78.960 > 7 22 Se 0.50304893572239 0.15015392016623 0.30635637727019 78.960 > 8 23 Se 0.99695106427761 0.34984607983377 0.30635637727019 78.960 > 9 24 Se 0.99695106427761 0.15015392016623 0.19364362272981 78.960 > 10 25 Se 0.75304893572239 0.59984607983377 0.05635637727019 78.960 > 3 26 Se 0.75304893572239 0.90015392016623 0.44364362272981 78.960 > 4 27 Se 0.74695106427761 0.59984607983377 0.44364362272981 78.960 > 5 28 Se 0.74695106427761 0.90015392016623 0.05635637727019 78.960 > 6 29 Se 0.00304893572240 0.84984607983377 0.19364362272981 78.960 > 7 30 Se 0.00304893572240 0.65015392016623 0.30635637727019 78.960 > 8 31 Se 0.49695106427760 0.84984607983377 0.30635637727019 78.960 > 9 32 Se 0.49695106427760 0.65015392016623 0.19364362272981 78.960 > 10 33 Se 0.75304893572239 0.09984607983377 0.55635637727019 78.960 > 3 34 Se 0.75304893572239 0.40015392016623 0.94364362272981 78.960 > 4 35 Se 0.74695106427761 0.09984607983377 0.94364362272981 78.960 > 5 36 Se 0.74695106427761 0.40015392016623 0.55635637727019 78.960 > 6 37 Se 0.00304893572240 0.34984607983377 0.69364362272981 78.960 > 7 38 Se 0.00304893572240 0.15015392016623 0.80635637727019 78.960 > 8 39 Se 0.49695106427760 0.34984607983377 0.80635637727019 78.960 > 9 40 Se 0.49695106427760 0.15015392016623 0.69364362272981 78.960 > 10 *41 Rb 0.00000000000000 0.00000000000000 0.67944115295565 85.468 > 11 42 Rb 0.50000000000000 0.00000000000000 0.82055884704435 85.468 > 12 43 Rb 0.75000000000000 0.75000000000000 0.57055884704435 85.468 > 13 44 Rb 0.75000000000000 0.75000000000000 0.92944115295565 85.468 > 14 45 Rb 0.00000000000000 0.50000000000000 0.17944115295565 85.468 > 11 46 Rb 0.50000000000000 0.50000000000000 0.32055884704435 85.468 > 12 47 Rb 0.75000000000000 0.25000000000000 0.07055884704435 85.468 > 13 48 Rb 0.75000000000000 0.25000000000000 0.42944115295565 85.468 > 14 49 Rb 0.50000000000000 0.00000000000000 0.17944115295565 85.468 > 11 50 Rb 0.00000000000000 0.00000000000000 0.32055884704435 85.468 > 12 51 Rb 0.25000000000000 0.75000000000000 0.07055884704435 85.468 > 13 52 Rb 0.25000000000000 0.75000000000000 0.42944115295565 85.468 > 14 53 Rb 0.50000000000000 0.50000000000000 0.67944115295565 85.468 > 11 54 Rb 0.00000000000000 0.50000000000000 0.82055884704435 85.468 > 12 55 Rb 0.25000000000000 0.25000000000000 0.57055884704435 85.468 > 13 56 Rb 0.25000000000000 0.25000000000000 0.92944115295565 85.468 > 14 *57 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 15 58 Ta 0.75000000000000 0.75000000000000 0.75000000000000 180.948 > 16 59 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 15 60 Ta 0.75000000000000 0.25000000000000 0.25000000000000 180.948 > 16 61 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 15 62 Ta 0.25000000000000 0.75000000000000 0.25000000000000 180.948 > 16 63 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 15 64 Ta 0.25000000000000 0.25000000000000 0.75000000000000 180.948 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.411691039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.875301400000003 0.000000000000000 c 0.000000000000000 0.000000000000000 24.437539090000001 Atomic positions (fractional): *1 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 1 2 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 1 3 Cu 0.12500000000000 0.75000000000000 0.75000000000000 63.546 > 2 4 Cu 0.62500000000000 0.75000000000000 0.75000000000000 63.546 > 2 5 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 1 6 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 1 7 Cu 0.12500000000000 0.25000000000000 0.25000000000000 63.546 > 2 8 Cu 0.62500000000000 0.25000000000000 0.25000000000000 63.546 > 2 9 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 1 10 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 1 11 Cu 0.37500000000000 0.75000000000000 0.25000000000000 63.546 > 2 12 Cu 0.87500000000000 0.75000000000000 0.25000000000000 63.546 > 2 13 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 1 14 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 1 15 Cu 0.37500000000000 0.25000000000000 0.75000000000000 63.546 > 2 16 Cu 0.87500000000000 0.25000000000000 0.75000000000000 63.546 > 2 *17 Se 0.12652446786120 0.59984607983377 0.55635637727019 78.960 > 3 18 Se 0.62652446786120 0.59984607983377 0.55635637727019 78.960 > 3 19 Se 0.12652446786120 0.90015392016623 0.94364362272981 78.960 > 4 20 Se 0.62652446786120 0.90015392016623 0.94364362272981 78.960 > 4 21 Se 0.12347553213880 0.59984607983377 0.94364362272981 78.960 > 5 22 Se 0.62347553213880 0.59984607983377 0.94364362272981 78.960 > 5 23 Se 0.12347553213880 0.90015392016623 0.55635637727019 78.960 > 6 24 Se 0.62347553213880 0.90015392016623 0.55635637727019 78.960 > 6 25 Se 0.25152446786120 0.84984607983377 0.69364362272981 78.960 > 7 26 Se 0.75152446786120 0.84984607983377 0.69364362272981 78.960 > 7 27 Se 0.25152446786120 0.65015392016623 0.80635637727019 78.960 > 8 28 Se 0.75152446786120 0.65015392016623 0.80635637727019 78.960 > 8 29 Se 0.49847553213880 0.84984607983377 0.80635637727019 78.960 > 9 30 Se 0.99847553213880 0.84984607983377 0.80635637727019 78.960 > 9 31 Se 0.49847553213880 0.65015392016623 0.69364362272981 78.960 > 10 32 Se 0.99847553213880 0.65015392016623 0.69364362272981 78.960 > 10 33 Se 0.12652446786120 0.09984607983377 0.05635637727019 78.960 > 3 34 Se 0.62652446786120 0.09984607983377 0.05635637727019 78.960 > 3 35 Se 0.12652446786120 0.40015392016623 0.44364362272981 78.960 > 4 36 Se 0.62652446786120 0.40015392016623 0.44364362272981 78.960 > 4 37 Se 0.12347553213880 0.09984607983377 0.44364362272981 78.960 > 5 38 Se 0.62347553213880 0.09984607983377 0.44364362272981 78.960 > 5 39 Se 0.12347553213880 0.40015392016623 0.05635637727019 78.960 > 6 40 Se 0.62347553213880 0.40015392016623 0.05635637727019 78.960 > 6 41 Se 0.25152446786120 0.34984607983377 0.19364362272981 78.960 > 7 42 Se 0.75152446786120 0.34984607983377 0.19364362272981 78.960 > 7 43 Se 0.25152446786120 0.15015392016623 0.30635637727019 78.960 > 8 44 Se 0.75152446786120 0.15015392016623 0.30635637727019 78.960 > 8 45 Se 0.49847553213880 0.34984607983377 0.30635637727019 78.960 > 9 46 Se 0.99847553213880 0.34984607983377 0.30635637727019 78.960 > 9 47 Se 0.49847553213880 0.15015392016623 0.19364362272981 78.960 > 10 48 Se 0.99847553213880 0.15015392016623 0.19364362272981 78.960 > 10 49 Se 0.37652446786120 0.59984607983377 0.05635637727019 78.960 > 3 50 Se 0.87652446786120 0.59984607983377 0.05635637727019 78.960 > 3 51 Se 0.37652446786120 0.90015392016623 0.44364362272981 78.960 > 4 52 Se 0.87652446786120 0.90015392016623 0.44364362272981 78.960 > 4 53 Se 0.37347553213880 0.59984607983377 0.44364362272981 78.960 > 5 54 Se 0.87347553213880 0.59984607983377 0.44364362272981 78.960 > 5 55 Se 0.37347553213880 0.90015392016623 0.05635637727019 78.960 > 6 56 Se 0.87347553213880 0.90015392016623 0.05635637727019 78.960 > 6 57 Se 0.00152446786120 0.84984607983377 0.19364362272981 78.960 > 7 58 Se 0.50152446786120 0.84984607983377 0.19364362272981 78.960 > 7 59 Se 0.00152446786120 0.65015392016623 0.30635637727019 78.960 > 8 60 Se 0.50152446786120 0.65015392016623 0.30635637727019 78.960 > 8 61 Se 0.24847553213880 0.84984607983377 0.30635637727019 78.960 > 9 62 Se 0.74847553213880 0.84984607983377 0.30635637727019 78.960 > 9 63 Se 0.24847553213880 0.65015392016623 0.19364362272981 78.960 > 10 64 Se 0.74847553213880 0.65015392016623 0.19364362272981 78.960 > 10 65 Se 0.37652446786120 0.09984607983377 0.55635637727019 78.960 > 3 66 Se 0.87652446786120 0.09984607983377 0.55635637727019 78.960 > 3 67 Se 0.37652446786120 0.40015392016623 0.94364362272981 78.960 > 4 68 Se 0.87652446786120 0.40015392016623 0.94364362272981 78.960 > 4 69 Se 0.37347553213880 0.09984607983377 0.94364362272981 78.960 > 5 70 Se 0.87347553213880 0.09984607983377 0.94364362272981 78.960 > 5 71 Se 0.37347553213880 0.40015392016623 0.55635637727019 78.960 > 6 72 Se 0.87347553213880 0.40015392016623 0.55635637727019 78.960 > 6 73 Se 0.00152446786120 0.34984607983377 0.69364362272981 78.960 > 7 74 Se 0.50152446786120 0.34984607983377 0.69364362272981 78.960 > 7 75 Se 0.00152446786120 0.15015392016623 0.80635637727019 78.960 > 8 76 Se 0.50152446786120 0.15015392016623 0.80635637727019 78.960 > 8 77 Se 0.24847553213880 0.34984607983377 0.80635637727019 78.960 > 9 78 Se 0.74847553213880 0.34984607983377 0.80635637727019 78.960 > 9 79 Se 0.24847553213880 0.15015392016623 0.69364362272981 78.960 > 10 80 Se 0.74847553213880 0.15015392016623 0.69364362272981 78.960 > 10 *81 Rb 0.00000000000000 0.00000000000000 0.67944115295565 85.468 > 11 82 Rb 0.50000000000000 0.00000000000000 0.67944115295565 85.468 > 11 83 Rb 0.25000000000000 0.00000000000000 0.82055884704435 85.468 > 12 84 Rb 0.75000000000000 0.00000000000000 0.82055884704435 85.468 > 12 85 Rb 0.37500000000000 0.75000000000000 0.57055884704435 85.468 > 13 86 Rb 0.87500000000000 0.75000000000000 0.57055884704435 85.468 > 13 87 Rb 0.37500000000000 0.75000000000000 0.92944115295565 85.468 > 14 88 Rb 0.87500000000000 0.75000000000000 0.92944115295565 85.468 > 14 89 Rb 0.00000000000000 0.50000000000000 0.17944115295565 85.468 > 11 90 Rb 0.50000000000000 0.50000000000000 0.17944115295565 85.468 > 11 91 Rb 0.25000000000000 0.50000000000000 0.32055884704435 85.468 > 12 92 Rb 0.75000000000000 0.50000000000000 0.32055884704435 85.468 > 12 93 Rb 0.37500000000000 0.25000000000000 0.07055884704435 85.468 > 13 94 Rb 0.87500000000000 0.25000000000000 0.07055884704435 85.468 > 13 95 Rb 0.37500000000000 0.25000000000000 0.42944115295565 85.468 > 14 96 Rb 0.87500000000000 0.25000000000000 0.42944115295565 85.468 > 14 97 Rb 0.25000000000000 0.00000000000000 0.17944115295565 85.468 > 11 98 Rb 0.75000000000000 0.00000000000000 0.17944115295565 85.468 > 11 99 Rb 0.00000000000000 0.00000000000000 0.32055884704435 85.468 > 12 100 Rb 0.50000000000000 0.00000000000000 0.32055884704435 85.468 > 12 101 Rb 0.12500000000000 0.75000000000000 0.07055884704435 85.468 > 13 102 Rb 0.62500000000000 0.75000000000000 0.07055884704435 85.468 > 13 103 Rb 0.12500000000000 0.75000000000000 0.42944115295565 85.468 > 14 104 Rb 0.62500000000000 0.75000000000000 0.42944115295565 85.468 > 14 105 Rb 0.25000000000000 0.50000000000000 0.67944115295565 85.468 > 11 106 Rb 0.75000000000000 0.50000000000000 0.67944115295565 85.468 > 11 107 Rb 0.00000000000000 0.50000000000000 0.82055884704435 85.468 > 12 108 Rb 0.50000000000000 0.50000000000000 0.82055884704435 85.468 > 12 109 Rb 0.12500000000000 0.25000000000000 0.57055884704435 85.468 > 13 110 Rb 0.62500000000000 0.25000000000000 0.57055884704435 85.468 > 13 111 Rb 0.12500000000000 0.25000000000000 0.92944115295565 85.468 > 14 112 Rb 0.62500000000000 0.25000000000000 0.92944115295565 85.468 > 14 *113 Ta 0.25000000000000 0.00000000000000 0.00000000000000 180.948 > 15 114 Ta 0.75000000000000 0.00000000000000 0.00000000000000 180.948 > 15 115 Ta 0.37500000000000 0.75000000000000 0.75000000000000 180.948 > 16 116 Ta 0.87500000000000 0.75000000000000 0.75000000000000 180.948 > 16 117 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 15 118 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 15 119 Ta 0.37500000000000 0.25000000000000 0.25000000000000 180.948 > 16 120 Ta 0.87500000000000 0.25000000000000 0.25000000000000 180.948 > 16 121 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 15 122 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 15 123 Ta 0.12500000000000 0.75000000000000 0.25000000000000 180.948 > 16 124 Ta 0.62500000000000 0.75000000000000 0.25000000000000 180.948 > 16 125 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 15 126 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 15 127 Ta 0.12500000000000 0.25000000000000 0.75000000000000 180.948 > 16 128 Ta 0.62500000000000 0.25000000000000 0.75000000000000 180.948 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9179711 0.0000000 0.0000000 0.0000000 4.5667239 0.0000000 0.0000000 0.0000000 4.2237425 -------------------------- Born effective charges -------------------------- 1 Cu 0.0325526 0.0000000 0.0000000 0.0000000 0.3627055 0.0000000 0.0000000 0.0000000 0.3720481 2 Cu 0.0325526 0.0000000 0.0000000 0.0000000 0.3627055 0.0000000 0.0000000 0.0000000 0.3720481 3 Se -1.4786503 0.8864304 0.7476685 0.3901335 -1.1189197 -0.7101967 0.2146058 -0.5647391 -0.9290469 4 Se -1.4786503 -0.8864304 -0.7476685 -0.3901335 -1.1189197 -0.7101967 -0.2146058 -0.5647391 -0.9290469 5 Se -1.4786503 -0.8864304 0.7476685 -0.3901335 -1.1189197 0.7101967 0.2146058 0.5647391 -0.9290469 6 Se -1.4786503 0.8864304 -0.7476685 0.3901335 -1.1189197 0.7101967 -0.2146058 0.5647391 -0.9290469 7 Se -1.4786503 0.8864304 -0.7476685 0.3901335 -1.1189197 0.7101967 -0.2146058 0.5647391 -0.9290469 8 Se -1.4786503 -0.8864304 0.7476685 -0.3901335 -1.1189197 0.7101967 0.2146058 0.5647391 -0.9290469 9 Se -1.4786503 -0.8864304 -0.7476685 -0.3901335 -1.1189197 -0.7101967 -0.2146058 -0.5647391 -0.9290469 10 Se -1.4786503 0.8864304 0.7476685 0.3901335 -1.1189197 -0.7101967 0.2146058 -0.5647391 -0.9290469 11 Rb 1.2157799 -0.0483487 0.0000000 -0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 12 Rb 1.2157799 0.0483487 0.0000000 0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 13 Rb 1.2157799 -0.0483487 0.0000000 -0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 14 Rb 1.2157799 0.0483487 0.0000000 0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 15 Ta 3.4504889 0.0000000 0.0000000 0.0000000 1.2885274 0.0000000 0.0000000 0.0000000 0.7510014 16 Ta 3.4504889 0.0000000 0.0000000 0.0000000 1.2885274 0.0000000 0.0000000 0.0000000 0.7510014 ---------------------------------------------------------------------------- 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: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.837 Solver_block: 200 / 240 - Time: 1.804 Solver_block: 240 / 240 - Time: 0.785 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.454 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:00:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:00:06]------------------------- 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): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.937650700000002 12.218769545000001 b 2.852922760000000 0.000000000000000 12.218769545000001 c 2.852922760000000 6.937650700000002 0.000000000000000 Atomic positions (fractional): 1 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 2 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 3 Se 0.90315352138156 0.20955923315882 0.29653863828597 78.960 4 Se 0.59074860717365 0.29653863828597 0.20955923315882 78.960 5 Se 0.29653863828597 0.59074860717365 0.90315352138156 78.960 6 Se 0.20955923315882 0.90315352138156 0.59074860717365 78.960 7 Se 0.04044076684118 0.34684647861844 0.65925139282635 78.960 8 Se 0.95346136171403 0.65925139282635 0.34684647861844 78.960 9 Se 0.65925139282635 0.95346136171403 0.04044076684118 78.960 10 Se 0.34684647861844 0.04044076684118 0.95346136171403 78.960 11 Rb 0.67944115295565 0.67944115295565 0.32055884704435 85.468 12 Rb 0.32055884704435 0.32055884704435 0.67944115295565 85.468 13 Rb 0.57055884704435 0.57055884704435 0.92944115295565 85.468 14 Rb 0.92944115295565 0.92944115295565 0.57055884704435 85.468 15 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 16 Ta 0.75000000000000 0.75000000000000 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.411691039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.875301400000003 0.000000000000000 c 0.000000000000000 0.000000000000000 24.437539090000001 Atomic positions (fractional): 1 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 1 2 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 1 3 Cu 0.12500000000000 0.75000000000000 0.75000000000000 63.546 > 3 4 Cu 0.62500000000000 0.75000000000000 0.75000000000000 63.546 > 3 5 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 1 6 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 1 7 Cu 0.12500000000000 0.25000000000000 0.25000000000000 63.546 > 3 8 Cu 0.62500000000000 0.25000000000000 0.25000000000000 63.546 > 3 9 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 1 10 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 1 11 Cu 0.37500000000000 0.75000000000000 0.25000000000000 63.546 > 3 12 Cu 0.87500000000000 0.75000000000000 0.25000000000000 63.546 > 3 13 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 1 14 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 1 15 Cu 0.37500000000000 0.25000000000000 0.75000000000000 63.546 > 3 16 Cu 0.87500000000000 0.25000000000000 0.75000000000000 63.546 > 3 17 Se 0.12652446786120 0.59984607983377 0.55635637727019 78.960 > 17 18 Se 0.62652446786120 0.59984607983377 0.55635637727019 78.960 > 17 19 Se 0.12652446786120 0.90015392016623 0.94364362272981 78.960 > 19 20 Se 0.62652446786120 0.90015392016623 0.94364362272981 78.960 > 19 21 Se 0.12347553213880 0.59984607983377 0.94364362272981 78.960 > 21 22 Se 0.62347553213880 0.59984607983377 0.94364362272981 78.960 > 21 23 Se 0.12347553213880 0.90015392016623 0.55635637727019 78.960 > 23 24 Se 0.62347553213880 0.90015392016623 0.55635637727019 78.960 > 23 25 Se 0.25152446786120 0.84984607983377 0.69364362272981 78.960 > 25 26 Se 0.75152446786120 0.84984607983377 0.69364362272981 78.960 > 25 27 Se 0.25152446786120 0.65015392016623 0.80635637727019 78.960 > 27 28 Se 0.75152446786120 0.65015392016623 0.80635637727019 78.960 > 27 29 Se 0.49847553213880 0.84984607983377 0.80635637727019 78.960 > 29 30 Se 0.99847553213880 0.84984607983377 0.80635637727019 78.960 > 29 31 Se 0.49847553213880 0.65015392016623 0.69364362272981 78.960 > 31 32 Se 0.99847553213880 0.65015392016623 0.69364362272981 78.960 > 31 33 Se 0.12652446786120 0.09984607983377 0.05635637727019 78.960 > 17 34 Se 0.62652446786120 0.09984607983377 0.05635637727019 78.960 > 17 35 Se 0.12652446786120 0.40015392016623 0.44364362272981 78.960 > 19 36 Se 0.62652446786120 0.40015392016623 0.44364362272981 78.960 > 19 37 Se 0.12347553213880 0.09984607983377 0.44364362272981 78.960 > 21 38 Se 0.62347553213880 0.09984607983377 0.44364362272981 78.960 > 21 39 Se 0.12347553213880 0.40015392016623 0.05635637727019 78.960 > 23 40 Se 0.62347553213880 0.40015392016623 0.05635637727019 78.960 > 23 41 Se 0.25152446786120 0.34984607983377 0.19364362272981 78.960 > 25 42 Se 0.75152446786120 0.34984607983377 0.19364362272981 78.960 > 25 43 Se 0.25152446786120 0.15015392016623 0.30635637727019 78.960 > 27 44 Se 0.75152446786120 0.15015392016623 0.30635637727019 78.960 > 27 45 Se 0.49847553213880 0.34984607983377 0.30635637727019 78.960 > 29 46 Se 0.99847553213880 0.34984607983377 0.30635637727019 78.960 > 29 47 Se 0.49847553213880 0.15015392016623 0.19364362272981 78.960 > 31 48 Se 0.99847553213880 0.15015392016623 0.19364362272981 78.960 > 31 49 Se 0.37652446786120 0.59984607983377 0.05635637727019 78.960 > 17 50 Se 0.87652446786120 0.59984607983377 0.05635637727019 78.960 > 17 51 Se 0.37652446786120 0.90015392016623 0.44364362272981 78.960 > 19 52 Se 0.87652446786120 0.90015392016623 0.44364362272981 78.960 > 19 53 Se 0.37347553213880 0.59984607983377 0.44364362272981 78.960 > 21 54 Se 0.87347553213880 0.59984607983377 0.44364362272981 78.960 > 21 55 Se 0.37347553213880 0.90015392016623 0.05635637727019 78.960 > 23 56 Se 0.87347553213880 0.90015392016623 0.05635637727019 78.960 > 23 57 Se 0.00152446786120 0.84984607983377 0.19364362272981 78.960 > 25 58 Se 0.50152446786120 0.84984607983377 0.19364362272981 78.960 > 25 59 Se 0.00152446786120 0.65015392016623 0.30635637727019 78.960 > 27 60 Se 0.50152446786120 0.65015392016623 0.30635637727019 78.960 > 27 61 Se 0.24847553213880 0.84984607983377 0.30635637727019 78.960 > 29 62 Se 0.74847553213880 0.84984607983377 0.30635637727019 78.960 > 29 63 Se 0.24847553213880 0.65015392016623 0.19364362272981 78.960 > 31 64 Se 0.74847553213880 0.65015392016623 0.19364362272981 78.960 > 31 65 Se 0.37652446786120 0.09984607983377 0.55635637727019 78.960 > 17 66 Se 0.87652446786120 0.09984607983377 0.55635637727019 78.960 > 17 67 Se 0.37652446786120 0.40015392016623 0.94364362272981 78.960 > 19 68 Se 0.87652446786120 0.40015392016623 0.94364362272981 78.960 > 19 69 Se 0.37347553213880 0.09984607983377 0.94364362272981 78.960 > 21 70 Se 0.87347553213880 0.09984607983377 0.94364362272981 78.960 > 21 71 Se 0.37347553213880 0.40015392016623 0.55635637727019 78.960 > 23 72 Se 0.87347553213880 0.40015392016623 0.55635637727019 78.960 > 23 73 Se 0.00152446786120 0.34984607983377 0.69364362272981 78.960 > 25 74 Se 0.50152446786120 0.34984607983377 0.69364362272981 78.960 > 25 75 Se 0.00152446786120 0.15015392016623 0.80635637727019 78.960 > 27 76 Se 0.50152446786120 0.15015392016623 0.80635637727019 78.960 > 27 77 Se 0.24847553213880 0.34984607983377 0.80635637727019 78.960 > 29 78 Se 0.74847553213880 0.34984607983377 0.80635637727019 78.960 > 29 79 Se 0.24847553213880 0.15015392016623 0.69364362272981 78.960 > 31 80 Se 0.74847553213880 0.15015392016623 0.69364362272981 78.960 > 31 81 Rb 0.00000000000000 0.00000000000000 0.67944115295565 85.468 > 81 82 Rb 0.50000000000000 0.00000000000000 0.67944115295565 85.468 > 81 83 Rb 0.25000000000000 0.00000000000000 0.82055884704435 85.468 > 83 84 Rb 0.75000000000000 0.00000000000000 0.82055884704435 85.468 > 83 85 Rb 0.37500000000000 0.75000000000000 0.57055884704435 85.468 > 85 86 Rb 0.87500000000000 0.75000000000000 0.57055884704435 85.468 > 85 87 Rb 0.37500000000000 0.75000000000000 0.92944115295565 85.468 > 87 88 Rb 0.87500000000000 0.75000000000000 0.92944115295565 85.468 > 87 89 Rb 0.00000000000000 0.50000000000000 0.17944115295565 85.468 > 81 90 Rb 0.50000000000000 0.50000000000000 0.17944115295565 85.468 > 81 91 Rb 0.25000000000000 0.50000000000000 0.32055884704435 85.468 > 83 92 Rb 0.75000000000000 0.50000000000000 0.32055884704435 85.468 > 83 93 Rb 0.37500000000000 0.25000000000000 0.07055884704435 85.468 > 85 94 Rb 0.87500000000000 0.25000000000000 0.07055884704435 85.468 > 85 95 Rb 0.37500000000000 0.25000000000000 0.42944115295565 85.468 > 87 96 Rb 0.87500000000000 0.25000000000000 0.42944115295565 85.468 > 87 97 Rb 0.25000000000000 0.00000000000000 0.17944115295565 85.468 > 81 98 Rb 0.75000000000000 0.00000000000000 0.17944115295565 85.468 > 81 99 Rb 0.00000000000000 0.00000000000000 0.32055884704435 85.468 > 83 100 Rb 0.50000000000000 0.00000000000000 0.32055884704435 85.468 > 83 101 Rb 0.12500000000000 0.75000000000000 0.07055884704435 85.468 > 85 102 Rb 0.62500000000000 0.75000000000000 0.07055884704435 85.468 > 85 103 Rb 0.12500000000000 0.75000000000000 0.42944115295565 85.468 > 87 104 Rb 0.62500000000000 0.75000000000000 0.42944115295565 85.468 > 87 105 Rb 0.25000000000000 0.50000000000000 0.67944115295565 85.468 > 81 106 Rb 0.75000000000000 0.50000000000000 0.67944115295565 85.468 > 81 107 Rb 0.00000000000000 0.50000000000000 0.82055884704435 85.468 > 83 108 Rb 0.50000000000000 0.50000000000000 0.82055884704435 85.468 > 83 109 Rb 0.12500000000000 0.25000000000000 0.57055884704435 85.468 > 85 110 Rb 0.62500000000000 0.25000000000000 0.57055884704435 85.468 > 85 111 Rb 0.12500000000000 0.25000000000000 0.92944115295565 85.468 > 87 112 Rb 0.62500000000000 0.25000000000000 0.92944115295565 85.468 > 87 113 Ta 0.25000000000000 0.00000000000000 0.00000000000000 180.948 > 113 114 Ta 0.75000000000000 0.00000000000000 0.00000000000000 180.948 > 113 115 Ta 0.37500000000000 0.75000000000000 0.75000000000000 180.948 > 115 116 Ta 0.87500000000000 0.75000000000000 0.75000000000000 180.948 > 115 117 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 113 118 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 113 119 Ta 0.37500000000000 0.25000000000000 0.25000000000000 180.948 > 115 120 Ta 0.87500000000000 0.25000000000000 0.25000000000000 180.948 > 115 121 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 113 122 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 113 123 Ta 0.12500000000000 0.75000000000000 0.25000000000000 180.948 > 115 124 Ta 0.62500000000000 0.75000000000000 0.25000000000000 180.948 > 115 125 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 113 126 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 113 127 Ta 0.12500000000000 0.25000000000000 0.75000000000000 180.948 > 115 128 Ta 0.62500000000000 0.25000000000000 0.75000000000000 180.948 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9179711 0.0000000 0.0000000 0.0000000 4.5667239 0.0000000 0.0000000 0.0000000 4.2237425 -------------------------- Born effective charges -------------------------- 1 Cu 0.0325526 0.0000000 0.0000000 0.0000000 0.3627055 0.0000000 0.0000000 0.0000000 0.3720481 2 Cu 0.0325526 0.0000000 0.0000000 0.0000000 0.3627055 0.0000000 0.0000000 0.0000000 0.3720481 3 Se -1.4786503 0.8864304 0.7476685 0.3901335 -1.1189197 -0.7101967 0.2146058 -0.5647391 -0.9290469 4 Se -1.4786503 -0.8864304 -0.7476685 -0.3901335 -1.1189197 -0.7101967 -0.2146058 -0.5647391 -0.9290469 5 Se -1.4786503 -0.8864304 0.7476685 -0.3901335 -1.1189197 0.7101967 0.2146058 0.5647391 -0.9290469 6 Se -1.4786503 0.8864304 -0.7476685 0.3901335 -1.1189197 0.7101967 -0.2146058 0.5647391 -0.9290469 7 Se -1.4786503 0.8864304 -0.7476685 0.3901335 -1.1189197 0.7101967 -0.2146058 0.5647391 -0.9290469 8 Se -1.4786503 -0.8864304 0.7476685 -0.3901335 -1.1189197 0.7101967 0.2146058 0.5647391 -0.9290469 9 Se -1.4786503 -0.8864304 -0.7476685 -0.3901335 -1.1189197 -0.7101967 -0.2146058 -0.5647391 -0.9290469 10 Se -1.4786503 0.8864304 0.7476685 0.3901335 -1.1189197 -0.7101967 0.2146058 -0.5647391 -0.9290469 11 Rb 1.2157799 -0.0483487 0.0000000 -0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 12 Rb 1.2157799 0.0483487 0.0000000 0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 13 Rb 1.2157799 -0.0483487 0.0000000 -0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 14 Rb 1.2157799 0.0483487 0.0000000 0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 15 Ta 3.4504889 0.0000000 0.0000000 0.0000000 1.2885274 0.0000000 0.0000000 0.0000000 0.7510014 16 Ta 3.4504889 0.0000000 0.0000000 0.0000000 1.2885274 0.0000000 0.0000000 0.0000000 0.7510014 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 113, 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: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:00:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:00:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.937650700000002 12.218769545000001 b 2.852922760000000 0.000000000000000 12.218769545000001 c 2.852922760000000 6.937650700000002 0.000000000000000 Atomic positions (fractional): 1 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 2 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 3 Se 0.90315352138156 0.20955923315882 0.29653863828597 78.960 4 Se 0.59074860717365 0.29653863828597 0.20955923315882 78.960 5 Se 0.29653863828597 0.59074860717365 0.90315352138156 78.960 6 Se 0.20955923315882 0.90315352138156 0.59074860717365 78.960 7 Se 0.04044076684118 0.34684647861844 0.65925139282635 78.960 8 Se 0.95346136171403 0.65925139282635 0.34684647861844 78.960 9 Se 0.65925139282635 0.95346136171403 0.04044076684118 78.960 10 Se 0.34684647861844 0.04044076684118 0.95346136171403 78.960 11 Rb 0.67944115295565 0.67944115295565 0.32055884704435 85.468 12 Rb 0.32055884704435 0.32055884704435 0.67944115295565 85.468 13 Rb 0.57055884704435 0.57055884704435 0.92944115295565 85.468 14 Rb 0.92944115295565 0.92944115295565 0.57055884704435 85.468 15 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 16 Ta 0.75000000000000 0.75000000000000 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.411691039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.875301400000003 0.000000000000000 c 0.000000000000000 0.000000000000000 24.437539090000001 Atomic positions (fractional): 1 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 1 2 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 1 3 Cu 0.12500000000000 0.75000000000000 0.75000000000000 63.546 > 3 4 Cu 0.62500000000000 0.75000000000000 0.75000000000000 63.546 > 3 5 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 1 6 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 1 7 Cu 0.12500000000000 0.25000000000000 0.25000000000000 63.546 > 3 8 Cu 0.62500000000000 0.25000000000000 0.25000000000000 63.546 > 3 9 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 1 10 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 1 11 Cu 0.37500000000000 0.75000000000000 0.25000000000000 63.546 > 3 12 Cu 0.87500000000000 0.75000000000000 0.25000000000000 63.546 > 3 13 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 1 14 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 1 15 Cu 0.37500000000000 0.25000000000000 0.75000000000000 63.546 > 3 16 Cu 0.87500000000000 0.25000000000000 0.75000000000000 63.546 > 3 17 Se 0.12652446786120 0.59984607983377 0.55635637727019 78.960 > 17 18 Se 0.62652446786120 0.59984607983377 0.55635637727019 78.960 > 17 19 Se 0.12652446786120 0.90015392016623 0.94364362272981 78.960 > 19 20 Se 0.62652446786120 0.90015392016623 0.94364362272981 78.960 > 19 21 Se 0.12347553213880 0.59984607983377 0.94364362272981 78.960 > 21 22 Se 0.62347553213880 0.59984607983377 0.94364362272981 78.960 > 21 23 Se 0.12347553213880 0.90015392016623 0.55635637727019 78.960 > 23 24 Se 0.62347553213880 0.90015392016623 0.55635637727019 78.960 > 23 25 Se 0.25152446786120 0.84984607983377 0.69364362272981 78.960 > 25 26 Se 0.75152446786120 0.84984607983377 0.69364362272981 78.960 > 25 27 Se 0.25152446786120 0.65015392016623 0.80635637727019 78.960 > 27 28 Se 0.75152446786120 0.65015392016623 0.80635637727019 78.960 > 27 29 Se 0.49847553213880 0.84984607983377 0.80635637727019 78.960 > 29 30 Se 0.99847553213880 0.84984607983377 0.80635637727019 78.960 > 29 31 Se 0.49847553213880 0.65015392016623 0.69364362272981 78.960 > 31 32 Se 0.99847553213880 0.65015392016623 0.69364362272981 78.960 > 31 33 Se 0.12652446786120 0.09984607983377 0.05635637727019 78.960 > 17 34 Se 0.62652446786120 0.09984607983377 0.05635637727019 78.960 > 17 35 Se 0.12652446786120 0.40015392016623 0.44364362272981 78.960 > 19 36 Se 0.62652446786120 0.40015392016623 0.44364362272981 78.960 > 19 37 Se 0.12347553213880 0.09984607983377 0.44364362272981 78.960 > 21 38 Se 0.62347553213880 0.09984607983377 0.44364362272981 78.960 > 21 39 Se 0.12347553213880 0.40015392016623 0.05635637727019 78.960 > 23 40 Se 0.62347553213880 0.40015392016623 0.05635637727019 78.960 > 23 41 Se 0.25152446786120 0.34984607983377 0.19364362272981 78.960 > 25 42 Se 0.75152446786120 0.34984607983377 0.19364362272981 78.960 > 25 43 Se 0.25152446786120 0.15015392016623 0.30635637727019 78.960 > 27 44 Se 0.75152446786120 0.15015392016623 0.30635637727019 78.960 > 27 45 Se 0.49847553213880 0.34984607983377 0.30635637727019 78.960 > 29 46 Se 0.99847553213880 0.34984607983377 0.30635637727019 78.960 > 29 47 Se 0.49847553213880 0.15015392016623 0.19364362272981 78.960 > 31 48 Se 0.99847553213880 0.15015392016623 0.19364362272981 78.960 > 31 49 Se 0.37652446786120 0.59984607983377 0.05635637727019 78.960 > 17 50 Se 0.87652446786120 0.59984607983377 0.05635637727019 78.960 > 17 51 Se 0.37652446786120 0.90015392016623 0.44364362272981 78.960 > 19 52 Se 0.87652446786120 0.90015392016623 0.44364362272981 78.960 > 19 53 Se 0.37347553213880 0.59984607983377 0.44364362272981 78.960 > 21 54 Se 0.87347553213880 0.59984607983377 0.44364362272981 78.960 > 21 55 Se 0.37347553213880 0.90015392016623 0.05635637727019 78.960 > 23 56 Se 0.87347553213880 0.90015392016623 0.05635637727019 78.960 > 23 57 Se 0.00152446786120 0.84984607983377 0.19364362272981 78.960 > 25 58 Se 0.50152446786120 0.84984607983377 0.19364362272981 78.960 > 25 59 Se 0.00152446786120 0.65015392016623 0.30635637727019 78.960 > 27 60 Se 0.50152446786120 0.65015392016623 0.30635637727019 78.960 > 27 61 Se 0.24847553213880 0.84984607983377 0.30635637727019 78.960 > 29 62 Se 0.74847553213880 0.84984607983377 0.30635637727019 78.960 > 29 63 Se 0.24847553213880 0.65015392016623 0.19364362272981 78.960 > 31 64 Se 0.74847553213880 0.65015392016623 0.19364362272981 78.960 > 31 65 Se 0.37652446786120 0.09984607983377 0.55635637727019 78.960 > 17 66 Se 0.87652446786120 0.09984607983377 0.55635637727019 78.960 > 17 67 Se 0.37652446786120 0.40015392016623 0.94364362272981 78.960 > 19 68 Se 0.87652446786120 0.40015392016623 0.94364362272981 78.960 > 19 69 Se 0.37347553213880 0.09984607983377 0.94364362272981 78.960 > 21 70 Se 0.87347553213880 0.09984607983377 0.94364362272981 78.960 > 21 71 Se 0.37347553213880 0.40015392016623 0.55635637727019 78.960 > 23 72 Se 0.87347553213880 0.40015392016623 0.55635637727019 78.960 > 23 73 Se 0.00152446786120 0.34984607983377 0.69364362272981 78.960 > 25 74 Se 0.50152446786120 0.34984607983377 0.69364362272981 78.960 > 25 75 Se 0.00152446786120 0.15015392016623 0.80635637727019 78.960 > 27 76 Se 0.50152446786120 0.15015392016623 0.80635637727019 78.960 > 27 77 Se 0.24847553213880 0.34984607983377 0.80635637727019 78.960 > 29 78 Se 0.74847553213880 0.34984607983377 0.80635637727019 78.960 > 29 79 Se 0.24847553213880 0.15015392016623 0.69364362272981 78.960 > 31 80 Se 0.74847553213880 0.15015392016623 0.69364362272981 78.960 > 31 81 Rb 0.00000000000000 0.00000000000000 0.67944115295565 85.468 > 81 82 Rb 0.50000000000000 0.00000000000000 0.67944115295565 85.468 > 81 83 Rb 0.25000000000000 0.00000000000000 0.82055884704435 85.468 > 83 84 Rb 0.75000000000000 0.00000000000000 0.82055884704435 85.468 > 83 85 Rb 0.37500000000000 0.75000000000000 0.57055884704435 85.468 > 85 86 Rb 0.87500000000000 0.75000000000000 0.57055884704435 85.468 > 85 87 Rb 0.37500000000000 0.75000000000000 0.92944115295565 85.468 > 87 88 Rb 0.87500000000000 0.75000000000000 0.92944115295565 85.468 > 87 89 Rb 0.00000000000000 0.50000000000000 0.17944115295565 85.468 > 81 90 Rb 0.50000000000000 0.50000000000000 0.17944115295565 85.468 > 81 91 Rb 0.25000000000000 0.50000000000000 0.32055884704435 85.468 > 83 92 Rb 0.75000000000000 0.50000000000000 0.32055884704435 85.468 > 83 93 Rb 0.37500000000000 0.25000000000000 0.07055884704435 85.468 > 85 94 Rb 0.87500000000000 0.25000000000000 0.07055884704435 85.468 > 85 95 Rb 0.37500000000000 0.25000000000000 0.42944115295565 85.468 > 87 96 Rb 0.87500000000000 0.25000000000000 0.42944115295565 85.468 > 87 97 Rb 0.25000000000000 0.00000000000000 0.17944115295565 85.468 > 81 98 Rb 0.75000000000000 0.00000000000000 0.17944115295565 85.468 > 81 99 Rb 0.00000000000000 0.00000000000000 0.32055884704435 85.468 > 83 100 Rb 0.50000000000000 0.00000000000000 0.32055884704435 85.468 > 83 101 Rb 0.12500000000000 0.75000000000000 0.07055884704435 85.468 > 85 102 Rb 0.62500000000000 0.75000000000000 0.07055884704435 85.468 > 85 103 Rb 0.12500000000000 0.75000000000000 0.42944115295565 85.468 > 87 104 Rb 0.62500000000000 0.75000000000000 0.42944115295565 85.468 > 87 105 Rb 0.25000000000000 0.50000000000000 0.67944115295565 85.468 > 81 106 Rb 0.75000000000000 0.50000000000000 0.67944115295565 85.468 > 81 107 Rb 0.00000000000000 0.50000000000000 0.82055884704435 85.468 > 83 108 Rb 0.50000000000000 0.50000000000000 0.82055884704435 85.468 > 83 109 Rb 0.12500000000000 0.25000000000000 0.57055884704435 85.468 > 85 110 Rb 0.62500000000000 0.25000000000000 0.57055884704435 85.468 > 85 111 Rb 0.12500000000000 0.25000000000000 0.92944115295565 85.468 > 87 112 Rb 0.62500000000000 0.25000000000000 0.92944115295565 85.468 > 87 113 Ta 0.25000000000000 0.00000000000000 0.00000000000000 180.948 > 113 114 Ta 0.75000000000000 0.00000000000000 0.00000000000000 180.948 > 113 115 Ta 0.37500000000000 0.75000000000000 0.75000000000000 180.948 > 115 116 Ta 0.87500000000000 0.75000000000000 0.75000000000000 180.948 > 115 117 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 113 118 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 113 119 Ta 0.37500000000000 0.25000000000000 0.25000000000000 180.948 > 115 120 Ta 0.87500000000000 0.25000000000000 0.25000000000000 180.948 > 115 121 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 113 122 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 113 123 Ta 0.12500000000000 0.75000000000000 0.25000000000000 180.948 > 115 124 Ta 0.62500000000000 0.75000000000000 0.25000000000000 180.948 > 115 125 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 113 126 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 113 127 Ta 0.12500000000000 0.25000000000000 0.75000000000000 180.948 > 115 128 Ta 0.62500000000000 0.25000000000000 0.75000000000000 180.948 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9179711 0.0000000 0.0000000 0.0000000 4.5667239 0.0000000 0.0000000 0.0000000 4.2237425 -------------------------- Born effective charges -------------------------- 1 Cu 0.0325526 0.0000000 0.0000000 0.0000000 0.3627055 0.0000000 0.0000000 0.0000000 0.3720481 2 Cu 0.0325526 0.0000000 0.0000000 0.0000000 0.3627055 0.0000000 0.0000000 0.0000000 0.3720481 3 Se -1.4786503 0.8864304 0.7476685 0.3901335 -1.1189197 -0.7101967 0.2146058 -0.5647391 -0.9290469 4 Se -1.4786503 -0.8864304 -0.7476685 -0.3901335 -1.1189197 -0.7101967 -0.2146058 -0.5647391 -0.9290469 5 Se -1.4786503 -0.8864304 0.7476685 -0.3901335 -1.1189197 0.7101967 0.2146058 0.5647391 -0.9290469 6 Se -1.4786503 0.8864304 -0.7476685 0.3901335 -1.1189197 0.7101967 -0.2146058 0.5647391 -0.9290469 7 Se -1.4786503 0.8864304 -0.7476685 0.3901335 -1.1189197 0.7101967 -0.2146058 0.5647391 -0.9290469 8 Se -1.4786503 -0.8864304 0.7476685 -0.3901335 -1.1189197 0.7101967 0.2146058 0.5647391 -0.9290469 9 Se -1.4786503 -0.8864304 -0.7476685 -0.3901335 -1.1189197 -0.7101967 -0.2146058 -0.5647391 -0.9290469 10 Se -1.4786503 0.8864304 0.7476685 0.3901335 -1.1189197 -0.7101967 0.2146058 -0.5647391 -0.9290469 11 Rb 1.2157799 -0.0483487 0.0000000 -0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 12 Rb 1.2157799 0.0483487 0.0000000 0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 13 Rb 1.2157799 -0.0483487 0.0000000 -0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 14 Rb 1.2157799 0.0483487 0.0000000 0.0049833 1.4122230 0.0000000 0.0000000 0.0000000 1.2965690 15 Ta 3.4504889 0.0000000 0.0000000 0.0000000 1.2885274 0.0000000 0.0000000 0.0000000 0.7510014 16 Ta 3.4504889 0.0000000 0.0000000 0.0000000 1.2885274 0.0000000 0.0000000 0.0000000 0.7510014 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] 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: 0.53, Number of G-points: 277, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.580 ( 0.000 0.000 0.000) 0.000 0.660 ( 0.000 0.000 0.000) 0.000 0.997 ( 0.000 0.000 -0.000) 0.000 1.139 ( 0.000 0.000 -0.000) 0.000 1.332 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 -0.000) 0.000 1.791 ( 0.000 0.000 -0.000) 0.000 1.799 ( 0.000 0.000 -0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 -0.000) 0.000 1.880 ( 0.000 0.000 -0.000) 0.000 2.102 ( 0.000 0.000 -0.000) 0.000 2.118 ( 0.000 0.000 -0.000) 0.000 2.203 ( 0.000 0.000 -0.000) 0.000 2.204 ( 0.000 0.000 -0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 -0.000) 0.000 2.242 ( 0.000 0.000 -0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.503 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 -0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 7.597 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 -0.000) 0.000 8.426 ( 0.000 0.000 -0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 -0.000) 0.000 8.613 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( -9.689 4.626 7.917) 13.340 0.335 ( -17.219 2.304 1.316) 17.422 0.672 ( -32.800 6.935 -0.223) 33.525 0.721 ( -8.709 -0.114 0.257) 8.713 0.855 ( -21.912 5.112 -0.444) 22.505 1.070 ( -7.348 0.327 0.588) 7.379 1.189 ( -5.925 0.235 -0.429) 5.945 1.261 ( 5.564 -0.811 -1.533) 5.828 1.616 ( 2.221 1.627 0.197) 2.760 1.740 ( 0.290 -0.107 -0.794) 0.852 1.774 ( 0.688 -3.422 -0.590) 3.540 1.782 ( 1.006 -1.085 0.591) 1.593 1.846 ( -0.167 0.202 -1.110) 1.140 1.857 ( -1.060 4.337 0.441) 4.486 1.875 ( 1.257 -1.470 3.439) 3.946 2.066 ( 9.606 4.160 -0.850) 10.502 2.099 ( 5.417 -3.554 -0.172) 6.481 2.148 ( 3.844 0.304 -2.091) 4.386 2.186 ( -0.755 -6.688 2.073) 7.043 2.219 ( 3.712 -1.126 0.519) 3.914 2.266 ( -0.573 0.125 0.121) 0.599 2.353 ( 2.186 5.610 -1.288) 6.157 2.370 ( 3.025 3.016 2.065) 4.744 2.408 ( 9.420 -0.263 -0.101) 9.425 2.898 ( 1.539 -0.068 0.045) 1.542 2.905 ( -6.420 0.034 0.346) 6.430 2.906 ( -6.028 -0.063 0.247) 6.033 2.951 ( -6.209 0.521 -0.146) 6.233 2.963 ( 1.389 0.045 -0.359) 1.435 3.056 ( -2.132 -0.210 -0.283) 2.161 4.015 ( 5.380 0.371 0.143) 5.394 4.066 ( 6.718 -0.042 -0.144) 6.719 4.739 ( -2.756 0.023 0.003) 2.756 4.750 ( -3.415 -0.024 -0.042) 3.415 4.973 ( -0.704 0.004 0.252) 0.747 4.990 ( -0.515 0.046 -0.018) 0.517 5.028 ( -0.386 0.030 0.044) 0.390 5.038 ( -0.662 0.223 -0.024) 0.699 5.446 ( -1.271 0.081 0.047) 1.274 5.506 ( -1.399 -1.630 -0.875) 2.319 7.604 ( -0.769 -0.020 0.048) 0.771 7.641 ( -0.125 -0.147 -0.181) 0.265 8.396 ( -0.842 -0.902 -0.217) 1.253 8.437 ( -1.125 -0.355 0.051) 1.181 8.473 ( -0.232 0.276 -1.008) 1.071 8.495 ( 0.697 0.473 -0.171) 0.860 8.594 ( 0.804 -2.759 -0.011) 2.874 8.711 ( -0.985 -1.612 -2.562) 3.183 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -11.519 5.464 6.093) 14.130 0.636 ( -14.924 0.515 1.362) 14.995 0.855 ( -8.486 -0.258 -1.560) 8.632 1.127 ( 1.000 -0.687 -4.523) 4.683 1.186 ( -7.863 0.566 0.562) 7.904 1.254 ( -12.123 2.935 2.677) 12.757 1.312 ( -26.486 5.282 0.338) 27.009 1.426 ( -21.080 0.792 -0.542) 21.102 1.574 ( 3.142 -0.166 1.026) 3.309 1.669 ( 5.322 -1.854 -1.486) 5.828 1.746 ( 4.024 -1.200 2.291) 4.784 1.767 ( -0.108 1.138 -2.801) 3.025 1.825 ( 4.577 1.046 1.914) 5.070 1.841 ( -0.274 -1.491 -1.709) 2.285 1.866 ( 3.248 0.325 0.163) 3.268 1.940 ( 3.998 -1.006 -1.875) 4.529 1.970 ( 5.696 -1.021 1.430) 5.961 2.068 ( 3.886 0.455 -0.411) 3.934 2.127 ( 3.913 2.725 0.518) 4.797 2.202 ( 8.959 -1.490 -0.207) 9.084 2.219 ( -1.201 -0.423 -0.239) 1.296 2.292 ( -1.289 -0.931 1.376) 2.102 2.329 ( 2.758 0.784 0.386) 2.893 2.348 ( 1.651 0.226 -0.179) 1.676 2.859 ( 2.747 -0.004 0.184) 2.754 2.921 ( 2.767 -0.384 -0.628) 2.863 3.017 ( -6.161 -0.273 0.256) 6.172 3.034 ( -6.807 -0.119 0.414) 6.821 3.063 ( -5.712 0.493 -0.224) 5.738 3.102 ( -3.144 -0.200 -0.078) 3.152 3.886 ( 9.629 0.420 0.150) 9.639 3.908 ( 10.794 0.033 -0.123) 10.795 4.802 ( -4.112 0.141 0.081) 4.115 4.819 ( -4.209 -0.075 -0.101) 4.211 4.992 ( -1.241 0.054 0.112) 1.248 5.003 ( -0.912 0.085 -0.031) 0.917 5.038 ( -0.639 0.059 0.112) 0.651 5.054 ( -1.004 -0.000 -0.072) 1.006 5.474 ( -1.642 0.076 0.164) 1.652 5.518 ( -1.080 -0.742 -0.451) 1.386 7.624 ( -1.512 -0.031 0.083) 1.515 7.644 ( -0.456 -0.091 -0.171) 0.495 8.406 ( -0.652 -0.060 0.079) 0.659 8.448 ( -0.653 -1.267 -0.333) 1.464 8.480 ( 0.303 0.552 -0.054) 0.632 8.483 ( 0.593 1.233 -0.369) 1.417 8.555 ( 0.854 -3.468 0.230) 3.579 8.699 ( 0.983 0.348 -1.166) 1.564 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -11.871 4.264 4.078) 13.256 0.865 ( -11.226 -2.352 0.680) 11.490 0.973 ( -6.336 -2.475 -0.858) 6.856 1.101 ( -1.604 -0.527 -3.756) 4.118 1.279 ( -3.684 -0.571 0.141) 3.731 1.445 ( -7.876 0.442 2.123) 8.169 1.484 ( 6.625 1.129 1.707) 6.934 1.551 ( 5.299 -0.204 -0.665) 5.344 1.619 ( 5.714 -1.074 -1.069) 5.911 1.659 ( 3.970 1.283 1.329) 4.379 1.740 ( -2.128 -0.588 1.363) 2.595 1.778 ( -4.161 -0.802 -0.494) 4.266 1.792 ( -2.548 -0.230 -2.619) 3.661 1.815 ( 2.830 2.599 0.372) 3.860 1.853 ( -4.737 0.346 0.412) 4.767 1.885 ( -4.028 -0.649 -1.695) 4.418 1.958 ( 0.112 1.972 1.261) 2.344 2.011 ( 5.299 1.831 -1.666) 5.849 2.070 ( -1.959 1.362 1.752) 2.960 2.140 ( -3.682 2.176 1.087) 4.413 2.268 ( 0.511 -1.253 -0.282) 1.382 2.289 ( -0.346 -0.585 -0.016) 0.680 2.327 ( -6.899 -1.531 -0.087) 7.067 2.364 ( -4.202 1.232 0.139) 4.381 2.808 ( 3.012 -0.054 0.249) 3.023 2.856 ( 3.656 -0.641 -0.672) 3.772 3.110 ( -4.288 -0.139 0.277) 4.299 3.129 ( -4.060 -0.539 0.017) 4.096 3.147 ( -3.441 -0.327 -0.515) 3.495 3.161 ( -3.610 0.352 0.673) 3.689 3.692 ( 12.630 0.287 -0.033) 12.633 3.697 ( 13.081 0.197 0.038) 13.083 4.876 ( -3.891 0.094 0.044) 3.893 4.887 ( -3.443 -0.047 0.009) 3.444 5.015 ( -1.313 0.084 0.026) 1.316 5.021 ( -0.989 0.111 -0.004) 0.995 5.051 ( -0.663 0.094 0.205) 0.700 5.069 ( -0.849 -0.119 -0.156) 0.871 5.502 ( -1.261 0.035 0.213) 1.280 5.527 ( -0.652 -0.425 -0.296) 0.833 7.653 ( -1.504 -0.043 -0.027) 1.505 7.656 ( -1.086 0.101 0.084) 1.094 8.416 ( -0.336 0.298 0.198) 0.491 8.444 ( -0.268 -1.400 -0.258) 1.449 8.463 ( 1.283 0.680 -0.123) 1.458 8.489 ( 0.302 1.157 -0.513) 1.301 8.522 ( 0.365 -3.050 0.780) 3.169 8.675 ( 1.627 0.473 -0.584) 1.792 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -7.921 0.490 0.715) 7.968 0.984 ( -5.564 -3.967 -1.003) 6.906 1.049 ( -4.079 -2.294 1.815) 5.019 1.130 ( -3.651 -1.040 -1.927) 4.257 1.324 ( -1.951 -0.942 -0.278) 2.184 1.409 ( 3.843 3.565 1.244) 5.388 1.435 ( 6.579 -0.364 1.120) 6.683 1.496 ( 2.548 2.498 -0.390) 3.589 1.529 ( 4.347 0.597 2.218) 4.917 1.624 ( 1.365 -0.210 1.846) 2.305 1.700 ( 2.294 -0.912 -1.575) 2.928 1.717 ( 2.002 -1.123 -1.953) 3.014 1.765 ( 1.548 0.707 -0.686) 1.835 1.826 ( -0.837 -0.721 -1.344) 1.740 1.889 ( 0.411 -0.802 2.523) 2.679 1.917 ( -0.176 2.133 -3.219) 3.865 1.970 ( -0.161 0.374 -0.165) 0.439 2.060 ( 0.850 1.943 1.623) 2.670 2.104 ( -2.510 3.364 3.622) 5.544 2.215 ( -0.092 -4.372 -0.882) 4.461 2.269 ( -2.454 1.508 -1.871) 3.435 2.320 ( -2.570 -0.660 0.764) 2.762 2.548 ( -15.366 1.629 -0.027) 15.453 2.555 ( -14.887 0.825 0.353) 14.914 2.761 ( 1.964 -0.249 0.001) 1.980 2.788 ( 2.909 -0.653 -0.489) 3.021 3.165 ( -1.916 0.060 0.165) 1.924 3.175 ( -1.880 -0.365 0.043) 1.916 3.184 ( -1.587 -0.505 -0.224) 1.680 3.219 ( -2.180 0.180 0.345) 2.215 3.459 ( 13.033 0.076 -0.162) 13.034 3.466 ( 12.913 0.224 0.109) 12.915 4.929 ( -2.039 -0.131 -0.171) 2.050 4.939 ( -2.260 0.129 0.245) 2.276 5.036 ( -0.827 0.064 -0.050) 0.831 5.037 ( -0.671 0.080 0.028) 0.676 5.063 ( -0.452 0.122 0.256) 0.534 5.079 ( -0.423 -0.154 -0.194) 0.490 5.519 ( -0.644 0.012 0.154) 0.662 5.531 ( -0.198 -0.214 -0.170) 0.338 7.670 ( -0.710 0.138 0.083) 0.728 7.682 ( -1.220 -0.009 0.018) 1.220 8.422 ( -0.008 0.346 0.021) 0.347 8.437 ( -0.049 -0.968 0.085) 0.973 8.448 ( 0.698 0.391 -0.137) 0.812 8.484 ( 0.438 0.398 -0.551) 0.809 8.506 ( 0.102 -1.430 0.786) 1.635 8.650 ( 1.201 0.251 -0.242) 1.250 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -0.000 0.000 0.000) 0.000 1.049 ( 0.000 0.000 0.000) 0.000 1.057 ( -0.000 -0.000 -0.000) 0.000 1.173 ( -0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.377 ( -0.000 0.000 0.000) 0.000 1.411 ( -0.000 -0.000 0.000) 0.000 1.457 ( 0.000 0.000 -0.000) 0.000 1.484 ( 0.000 0.000 -0.000) 0.000 1.616 ( -0.000 0.000 0.000) 0.000 1.667 ( -0.000 0.000 -0.000) 0.000 1.696 ( -0.000 0.000 0.000) 0.000 1.757 ( -0.000 0.000 0.000) 0.000 1.822 ( -0.000 0.000 -0.000) 0.000 1.895 ( -0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 -0.000) 0.000 1.980 ( -0.000 0.000 -0.000) 0.000 2.053 ( -0.000 0.000 -0.000) 0.000 2.164 ( -0.000 0.000 0.000) 0.000 2.180 ( -0.000 -0.000 -0.000) 0.000 2.291 ( -0.000 0.000 0.000) 0.000 2.343 ( -0.000 0.000 0.000) 0.000 2.717 ( -0.000 0.000 0.000) 0.000 2.722 ( -0.000 0.000 0.000) 0.000 2.757 ( -0.000 0.000 0.000) 0.000 2.765 ( -0.000 -0.000 0.000) 0.000 3.181 ( -0.000 0.000 0.000) 0.000 3.192 ( -0.000 0.000 0.000) 0.000 3.195 ( -0.000 0.000 0.000) 0.000 3.241 ( -0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.321 ( -0.000 0.000 0.000) 0.000 4.946 ( -0.000 0.000 0.000) 0.000 4.960 ( -0.000 0.000 -0.000) 0.000 5.043 ( -0.000 0.000 0.000) 0.000 5.044 ( -0.000 0.000 0.000) 0.000 5.068 ( -0.000 0.000 0.000) 0.000 5.081 ( -0.000 0.000 0.000) 0.000 5.526 ( -0.000 0.000 0.000) 0.000 5.531 ( -0.000 0.000 0.000) 0.000 7.678 ( -0.000 0.000 0.000) 0.000 7.693 ( -0.000 0.000 0.000) 0.000 8.423 ( -0.000 0.000 0.000) 0.000 8.434 ( -0.000 0.000 0.000) 0.000 8.443 ( -0.000 0.000 0.000) 0.000 8.480 ( -0.000 0.000 0.000) 0.000 8.501 ( -0.000 -0.000 0.000) 0.000 8.639 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.077 ( 0.000 0.000 9.389) 9.389 0.079 ( 0.000 0.000 9.533) 9.533 0.186 ( 0.000 0.000 22.736) 22.736 0.574 ( -0.000 -0.000 -1.317) 1.317 0.649 ( -0.000 -0.000 -2.607) 2.607 1.003 ( 0.000 0.000 1.479) 1.479 1.136 ( -0.000 -0.000 -0.664) 0.664 1.314 ( -0.000 -0.000 -4.528) 4.528 1.622 ( 0.000 0.000 1.270) 1.270 1.734 ( -0.000 -0.000 -0.955) 0.955 1.794 ( 0.000 0.000 0.669) 0.669 1.796 ( -0.000 -0.000 -1.212) 1.212 1.845 ( -0.000 -0.000 -1.243) 1.243 1.874 ( -0.000 -0.000 -1.568) 1.568 2.095 ( -0.000 -0.000 -1.485) 1.485 2.116 ( -0.000 -0.000 -0.318) 0.318 2.173 ( -0.000 -0.000 -0.088) 0.088 2.194 ( -0.000 -0.000 -1.766) 1.766 2.211 ( 0.000 0.000 1.696) 1.696 2.228 ( 0.000 0.000 0.402) 0.402 2.257 ( 0.000 0.000 3.021) 3.021 2.376 ( -0.000 -0.000 -0.199) 0.199 2.397 ( 0.000 0.000 0.453) 0.453 2.500 ( -0.000 -0.000 -0.650) 0.650 2.843 ( 0.000 0.000 1.162) 1.162 2.843 ( 0.000 0.000 0.141) 0.141 2.877 ( -0.000 -0.000 -0.298) 0.298 2.915 ( 0.000 0.000 0.248) 0.248 2.975 ( -0.000 -0.000 -0.490) 0.490 3.033 ( -0.000 -0.000 -1.238) 1.238 4.063 ( 0.000 0.000 0.358) 0.358 4.127 ( -0.000 -0.000 -0.450) 0.450 4.714 ( -0.000 -0.000 -0.001) 0.001 4.716 ( -0.000 -0.000 -0.034) 0.034 4.985 ( -0.000 -0.000 -0.025) 0.025 4.987 ( -0.000 -0.000 -0.041) 0.041 5.024 ( 0.000 0.000 0.034) 0.034 5.029 ( -0.000 -0.000 -0.028) 0.028 5.434 ( 0.000 0.000 0.026) 0.026 5.438 ( -0.000 -0.000 -0.025) 0.025 7.597 ( 0.000 0.000 0.101) 0.101 7.639 ( -0.000 -0.000 -0.424) 0.424 8.335 ( 0.000 0.000 0.166) 0.166 8.392 ( -0.000 -0.000 -1.021) 1.021 8.431 ( 0.000 0.000 0.983) 0.983 8.498 ( -0.000 -0.000 -0.336) 0.336 8.608 ( -0.000 -0.000 -0.053) 0.053 8.613 ( -0.000 -0.000 -0.107) 0.107 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( -6.738 2.466 14.835) 16.480 0.357 ( -15.960 2.592 4.090) 16.678 0.666 ( -21.806 5.060 -1.733) 22.452 0.729 ( -19.098 1.311 1.816) 19.229 0.848 ( -21.771 5.464 -1.461) 22.494 1.079 ( -7.027 0.210 1.507) 7.190 1.183 ( -5.300 0.416 -1.211) 5.453 1.235 ( 3.977 -0.564 -4.629) 6.129 1.620 ( 1.860 0.807 0.993) 2.258 1.730 ( 0.361 -0.547 -1.483) 1.621 1.765 ( 2.313 -4.406 -1.554) 5.213 1.788 ( -0.308 -1.366 0.440) 1.468 1.835 ( 0.108 0.763 -1.409) 1.606 1.855 ( -1.755 3.114 -0.680) 3.639 1.922 ( 5.275 -1.284 6.835) 8.729 2.056 ( 10.107 3.968 -1.423) 10.950 2.092 ( 3.687 -1.846 -1.737) 4.474 2.132 ( 2.250 -2.451 -1.280) 3.565 2.204 ( 3.617 -2.533 1.987) 4.843 2.227 ( 2.566 -1.235 1.533) 3.234 2.269 ( -0.537 -0.568 0.522) 0.940 2.344 ( 0.267 3.436 -0.817) 3.542 2.387 ( 5.548 2.610 1.496) 6.311 2.408 ( 7.941 0.337 0.390) 7.957 2.899 ( 1.440 -0.091 0.251) 1.464 2.907 ( -6.192 -0.260 0.349) 6.207 2.912 ( -6.092 0.196 1.184) 6.209 2.949 ( -5.989 0.303 -0.368) 6.008 2.958 ( 1.150 0.062 -0.855) 1.434 3.051 ( -2.400 -0.185 -1.011) 2.610 4.018 ( 5.424 0.367 0.422) 5.453 4.063 ( 6.671 0.053 -0.438) 6.685 4.739 ( -2.784 0.038 0.033) 2.785 4.749 ( -3.377 -0.002 -0.124) 3.380 4.976 ( -0.442 -0.101 0.498) 0.674 4.990 ( -0.508 0.052 -0.050) 0.513 5.029 ( -0.409 0.007 0.114) 0.425 5.037 ( -0.674 0.202 -0.068) 0.707 5.447 ( -1.321 0.075 0.144) 1.331 5.495 ( -2.176 -1.056 -1.767) 2.996 7.604 ( -0.762 -0.007 0.157) 0.778 7.638 ( -0.181 -0.124 -0.506) 0.552 8.393 ( -1.108 -0.738 -0.501) 1.423 8.436 ( -1.630 -1.321 -0.849) 2.264 8.461 ( -1.169 1.472 -1.440) 2.368 8.492 ( 0.664 0.463 -0.415) 0.910 8.594 ( 0.730 -2.719 -0.027) 2.815 8.681 ( -2.589 0.224 -4.114) 4.866 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -9.371 4.473 10.196) 14.553 0.652 ( -14.316 0.561 2.579) 14.557 0.837 ( -9.006 -0.052 -2.788) 9.428 1.078 ( 0.244 0.248 -7.130) 7.138 1.192 ( -7.641 -0.861 0.980) 7.751 1.276 ( -9.909 3.233 2.437) 10.704 1.317 ( -28.154 5.294 1.077) 28.667 1.421 ( -20.589 1.340 -0.788) 20.647 1.585 ( 1.845 -1.060 1.833) 2.808 1.657 ( 4.286 -2.794 -1.125) 5.238 1.742 ( -0.374 0.393 -3.032) 3.081 1.766 ( 4.707 -0.537 2.005) 5.144 1.820 ( 2.443 0.018 -2.247) 3.319 1.845 ( 4.022 0.677 1.752) 4.439 1.864 ( 3.485 -0.016 -0.580) 3.533 1.920 ( 0.966 1.635 -2.525) 3.160 1.988 ( 8.030 -2.675 2.885) 8.942 2.062 ( 2.696 -0.430 -0.997) 2.906 2.132 ( 3.650 2.535 0.563) 4.479 2.194 ( 10.199 0.435 -1.540) 10.324 2.222 ( -2.549 -1.673 1.107) 3.244 2.305 ( -1.446 -1.068 1.514) 2.350 2.333 ( 2.763 0.103 0.548) 2.819 2.346 ( 2.848 0.853 -0.042) 2.973 2.861 ( 2.720 -0.043 0.394) 2.749 2.913 ( 2.728 -0.337 -1.092) 2.958 3.020 ( -6.155 -0.320 0.456) 6.181 3.038 ( -6.564 -0.270 0.696) 6.607 3.061 ( -5.750 0.387 -0.361) 5.774 3.101 ( -3.461 -0.035 -0.239) 3.469 3.887 ( 9.714 0.377 0.281) 9.725 3.907 ( 10.709 0.072 -0.238) 10.712 4.803 ( -4.132 0.136 0.165) 4.137 4.818 ( -4.217 -0.032 -0.196) 4.221 4.993 ( -1.181 0.006 0.177) 1.194 5.003 ( -0.921 0.097 -0.057) 0.928 5.039 ( -0.671 0.034 0.204) 0.702 5.053 ( -0.972 0.010 -0.138) 0.982 5.476 ( -1.666 0.050 0.329) 1.699 5.512 ( -1.272 -0.607 -0.772) 1.607 7.625 ( -1.475 -0.008 0.169) 1.485 7.642 ( -0.578 -0.062 -0.312) 0.659 8.407 ( -0.807 -0.106 0.187) 0.836 8.444 ( -0.774 -1.376 -0.682) 1.719 8.479 ( -0.290 1.296 -0.385) 1.383 8.479 ( 1.071 0.611 -0.219) 1.252 8.558 ( 0.687 -3.408 0.383) 3.498 8.687 ( 0.491 0.844 -1.739) 1.994 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -10.177 3.504 5.892) 12.271 0.872 ( -10.298 -2.503 0.996) 10.645 0.964 ( -7.189 -2.036 -1.237) 7.573 1.063 ( -2.474 0.260 -5.289) 5.845 1.282 ( -4.044 -2.054 0.457) 4.558 1.456 ( -6.815 1.707 0.441) 7.040 1.506 ( 6.138 0.793 3.442) 7.082 1.550 ( 3.884 -1.834 0.579) 4.334 1.610 ( 4.961 -0.205 -1.253) 5.121 1.669 ( 4.381 1.915 1.125) 4.912 1.743 ( 0.355 -0.322 -1.382) 1.463 1.774 ( -3.177 0.839 -0.749) 3.370 1.777 ( -6.063 -1.402 0.339) 6.232 1.815 ( 3.754 2.037 -0.780) 4.342 1.853 ( -1.441 -0.864 0.029) 1.680 1.878 ( -3.409 -0.527 -0.170) 3.454 1.967 ( -3.650 1.678 0.622) 4.065 1.997 ( 3.883 2.337 -1.539) 4.786 2.080 ( -4.470 1.157 0.640) 4.661 2.154 ( -0.391 2.587 2.188) 3.411 2.268 ( 0.328 -1.268 0.248) 1.333 2.286 ( 0.128 -1.062 -0.581) 1.217 2.325 ( -6.196 -0.766 -0.534) 6.266 2.367 ( -4.692 0.880 0.441) 4.795 2.811 ( 3.041 -0.190 0.422) 3.076 2.850 ( 3.538 -0.543 -0.937) 3.700 3.113 ( -4.252 -0.185 0.419) 4.277 3.129 ( -3.977 -0.685 0.071) 4.036 3.142 ( -3.609 -0.441 -0.576) 3.681 3.167 ( -3.543 0.542 0.632) 3.639 3.692 ( 12.756 0.176 -0.035) 12.758 3.698 ( 12.955 0.244 0.041) 12.957 4.877 ( -3.795 -0.006 0.060) 3.796 4.887 ( -3.576 0.032 0.005) 3.577 5.016 ( -1.277 0.040 0.031) 1.278 5.021 ( -1.013 0.116 -0.004) 1.020 5.053 ( -0.694 0.067 0.309) 0.763 5.068 ( -0.821 -0.098 -0.248) 0.863 5.504 ( -1.226 -0.002 0.342) 1.272 5.524 ( -0.750 -0.364 -0.444) 0.944 7.653 ( -1.354 -0.049 -0.017) 1.355 7.656 ( -1.295 0.104 0.088) 1.302 8.419 ( -0.339 0.136 0.303) 0.475 8.441 ( -0.373 -1.293 -0.449) 1.419 8.463 ( 1.174 0.548 0.072) 1.298 8.484 ( 0.409 1.069 -0.660) 1.321 8.529 ( 0.264 -2.889 0.859) 3.026 8.669 ( 1.405 0.671 -0.735) 1.722 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -6.042 -1.047 0.739) 6.176 0.976 ( -5.684 -3.768 -0.815) 6.868 1.064 ( -4.806 -1.471 1.687) 5.301 1.114 ( -4.631 -0.349 -1.910) 5.022 1.322 ( -2.227 -2.042 -0.130) 3.024 1.419 ( 4.796 2.425 1.176) 5.501 1.446 ( 5.952 0.422 1.211) 6.089 1.496 ( 2.037 1.954 0.662) 2.899 1.544 ( 5.687 1.130 1.346) 5.953 1.630 ( 1.557 -0.010 -0.673) 1.696 1.691 ( 2.426 -1.021 -0.696) 2.722 1.708 ( 1.694 -1.426 0.012) 2.214 1.759 ( 1.048 1.050 -0.502) 1.566 1.818 ( -0.775 -0.447 -0.801) 1.201 1.885 ( -1.176 1.659 -3.693) 4.216 1.913 ( 0.075 -0.850 2.464) 2.608 1.968 ( -0.243 0.162 -0.571) 0.641 2.074 ( 1.155 2.293 1.669) 3.062 2.134 ( -1.573 2.526 3.546) 4.629 2.206 ( -0.398 -4.768 -1.310) 4.961 2.255 ( -2.243 2.107 -1.583) 3.461 2.325 ( -2.681 -0.687 0.362) 2.791 2.548 ( -15.821 1.553 -0.002) 15.897 2.558 ( -14.662 0.966 0.325) 14.697 2.761 ( 2.119 -0.503 0.008) 2.178 2.784 ( 2.838 -0.448 -0.498) 2.916 3.167 ( -1.887 -0.209 0.303) 1.922 3.176 ( -2.002 -0.445 0.059) 2.051 3.182 ( -1.693 -0.548 -0.383) 1.820 3.222 ( -1.933 0.420 0.348) 2.008 3.458 ( 13.009 0.014 -0.134) 13.009 3.467 ( 12.931 0.214 0.081) 12.933 4.928 ( -2.108 -0.228 -0.119) 2.123 4.940 ( -2.210 0.133 0.193) 2.223 5.035 ( -0.836 0.035 -0.040) 0.838 5.037 ( -0.673 0.054 0.021) 0.675 5.065 ( -0.416 0.072 0.326) 0.534 5.077 ( -0.453 -0.106 -0.268) 0.537 5.521 ( -0.581 -0.020 0.211) 0.619 5.530 ( -0.275 -0.178 -0.228) 0.399 7.671 ( -0.781 -0.022 0.084) 0.786 7.682 ( -1.160 0.065 0.017) 1.162 8.423 ( 0.021 0.145 0.085) 0.170 8.436 ( -0.214 -0.992 -0.320) 1.064 8.450 ( 0.669 0.201 0.435) 0.823 8.479 ( 0.579 1.158 -0.684) 1.464 8.512 ( 0.099 -1.969 0.698) 2.092 8.648 ( 1.074 0.304 -0.253) 1.144 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -0.995 -0.517 0.669) 1.306 1.035 ( -3.182 -1.489 -2.147) 4.117 1.068 ( 4.125 1.100 1.311) 4.465 1.175 ( -0.234 1.086 0.385) 1.176 1.335 ( -0.309 -0.458 -0.367) 0.663 1.380 ( 0.316 -1.822 0.589) 1.941 1.410 ( 1.208 1.666 -0.152) 2.063 1.459 ( 0.285 -0.881 0.407) 1.011 1.483 ( -0.278 -0.766 -0.331) 0.880 1.604 ( 0.412 0.174 -2.364) 2.406 1.671 ( -1.099 -0.229 0.747) 1.349 1.702 ( -0.289 -0.215 1.017) 1.078 1.765 ( 0.066 1.047 2.076) 2.326 1.822 ( -0.575 -0.250 -0.009) 0.627 1.874 ( 1.387 2.594 -3.665) 4.700 1.928 ( -2.056 -3.479 1.795) 4.422 1.980 ( 0.328 1.034 -0.034) 1.086 2.055 ( 0.815 -0.231 0.412) 0.942 2.155 ( 0.811 -4.560 -1.494) 4.866 2.188 ( -0.287 3.185 1.198) 3.415 2.291 ( -0.409 1.519 0.078) 1.575 2.342 ( 0.109 -0.797 -0.124) 0.814 2.717 ( 0.451 -0.362 0.019) 0.579 2.721 ( 0.454 -0.118 -0.059) 0.472 2.757 ( 0.033 -0.007 0.072) 0.080 2.765 ( -0.981 0.497 -0.036) 1.100 3.182 ( -0.064 -0.331 0.179) 0.382 3.190 ( -0.075 -0.383 -0.312) 0.499 3.196 ( -0.035 0.273 0.129) 0.304 3.241 ( 0.321 0.239 0.005) 0.401 3.312 ( -0.173 -0.045 -0.012) 0.179 3.321 ( 0.053 0.009 0.012) 0.055 4.946 ( -0.134 -0.140 0.001) 0.193 4.960 ( 0.129 0.023 -0.000) 0.131 5.043 ( -0.022 -0.028 0.009) 0.037 5.044 ( -0.024 -0.026 -0.009) 0.037 5.068 ( 0.142 -0.103 -0.002) 0.175 5.081 ( -0.101 0.098 0.001) 0.141 5.526 ( 0.083 -0.033 0.000) 0.090 5.531 ( -0.087 0.033 -0.000) 0.093 7.678 ( -0.019 -0.196 -0.000) 0.197 7.693 ( 0.029 0.079 0.000) 0.084 8.423 ( -0.059 -0.022 0.136) 0.150 8.432 ( -0.127 -0.388 -0.440) 0.601 8.446 ( 0.033 -0.094 0.497) 0.507 8.479 ( 0.324 1.577 -0.348) 1.647 8.502 ( -0.138 -1.279 0.158) 1.297 8.639 ( -0.098 0.006 -0.003) 0.098 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 9.450 -1.557 -0.466) 9.589 0.992 ( 5.361 3.872 1.050) 6.696 1.035 ( 3.418 3.023 -1.529) 4.812 1.144 ( 3.085 1.730 1.246) 3.750 1.326 ( 1.575 -0.197 0.277) 1.611 1.400 ( -2.467 -3.368 -0.888) 4.269 1.430 ( -8.072 -0.750 -0.274) 8.112 1.500 ( -2.936 -2.658 0.421) 3.982 1.511 ( -2.625 0.236 -1.857) 3.224 1.609 ( -2.094 0.480 -1.517) 2.630 1.712 ( -1.530 1.858 1.025) 2.616 1.735 ( -3.074 -0.140 2.109) 3.730 1.768 ( -0.039 -0.299 0.160) 0.341 1.837 ( 0.717 1.277 1.071) 1.814 1.870 ( -2.497 -0.320 -1.868) 3.135 1.940 ( -0.820 -2.437 2.382) 3.505 1.970 ( 0.907 0.269 -0.165) 0.960 2.049 ( -0.730 -1.450 -1.047) 1.932 2.077 ( 3.617 -4.533 -2.566) 6.341 2.220 ( 0.001 3.865 0.405) 3.886 2.285 ( 2.639 -0.870 1.902) 3.367 2.312 ( 2.390 0.621 -1.233) 2.760 2.548 ( 14.914 -1.760 0.056) 15.018 2.553 ( 15.166 -0.643 -0.259) 15.182 2.761 ( -1.863 0.090 0.002) 1.865 2.791 ( -2.948 0.778 0.299) 3.063 3.164 ( 1.965 -0.259 -0.062) 1.983 3.175 ( 1.721 0.287 -0.011) 1.745 3.186 ( 1.509 0.416 0.076) 1.567 3.217 ( 2.409 0.061 -0.207) 2.418 3.460 ( -13.075 -0.131 0.135) 13.077 3.466 ( -12.876 -0.227 -0.102) 12.878 4.931 ( 1.909 0.030 0.184) 1.918 4.937 ( 2.374 -0.103 -0.230) 2.387 5.036 ( 0.829 -0.084 0.044) 0.834 5.037 ( 0.661 -0.104 -0.028) 0.670 5.061 ( 0.472 -0.151 -0.142) 0.515 5.080 ( 0.408 0.181 0.101) 0.458 5.518 ( 0.682 -0.032 -0.080) 0.688 5.532 ( 0.149 0.238 0.090) 0.295 7.670 ( 0.657 -0.260 -0.051) 0.708 7.682 ( 1.264 0.060 -0.011) 1.265 8.422 ( 0.039 -0.591 0.015) 0.592 8.436 ( -0.202 0.936 -0.200) 0.978 8.451 ( -0.629 -0.510 0.307) 0.866 8.488 ( -0.190 1.158 0.351) 1.225 8.500 ( -0.223 0.119 -0.595) 0.647 8.651 ( -1.301 -0.212 0.145) 1.326 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 12.821 -4.689 -1.463) 13.730 0.862 ( 11.718 2.279 -0.239) 11.940 0.978 ( 5.882 2.739 0.303) 6.496 1.123 ( 1.221 1.129 1.390) 2.168 1.279 ( 3.248 -0.774 0.039) 3.339 1.429 ( 7.677 0.658 -1.231) 7.803 1.476 ( -6.250 -1.382 -0.413) 6.414 1.557 ( -6.245 -1.020 0.485) 6.346 1.626 ( -6.479 1.941 0.493) 6.782 1.650 ( -3.237 -0.775 -0.681) 3.397 1.730 ( 4.587 0.051 -0.675) 4.637 1.783 ( 0.672 1.761 0.698) 2.010 1.799 ( -1.061 -1.709 -0.575) 2.092 1.823 ( 2.576 -0.049 2.072) 3.306 1.845 ( 7.368 -2.366 -1.455) 7.874 1.900 ( 5.494 1.751 1.342) 5.920 1.949 ( -3.893 -3.158 -0.826) 5.080 2.022 ( -7.062 -1.845 0.912) 7.356 2.056 ( 0.717 -1.048 -1.258) 1.787 2.135 ( 6.137 -2.016 -0.253) 6.464 2.271 ( -1.425 1.572 0.334) 2.148 2.287 ( 1.575 -0.029 -0.240) 1.594 2.327 ( 7.223 1.984 -0.008) 7.491 2.364 ( 3.851 -1.407 -0.004) 4.100 2.806 ( -3.001 -0.012 -0.082) 3.002 2.860 ( -3.723 0.687 0.245) 3.794 3.108 ( 4.314 0.113 -0.097) 4.316 3.129 ( 4.117 0.419 0.007) 4.138 3.151 ( 3.044 0.256 0.434) 3.085 3.156 ( 3.941 -0.208 -0.519) 3.980 3.692 ( -12.532 -0.366 0.014) 12.538 3.697 ( -13.179 -0.158 -0.016) 13.180 4.876 ( 3.946 -0.154 -0.016) 3.949 4.887 ( 3.366 0.094 -0.004) 3.367 5.015 ( 1.335 -0.110 -0.010) 1.340 5.021 ( 0.975 -0.109 0.002) 0.981 5.050 ( 0.646 -0.107 -0.072) 0.659 5.070 ( 0.862 0.129 0.053) 0.874 5.501 ( 1.278 -0.053 -0.072) 1.281 5.529 ( 0.596 0.458 0.104) 0.759 7.654 ( 1.757 0.049 0.020) 1.757 7.655 ( 0.797 -0.108 -0.041) 0.805 8.415 ( 0.330 -0.384 -0.069) 0.511 8.445 ( 0.164 1.448 0.075) 1.459 8.464 ( -1.308 -0.814 0.091) 1.543 8.492 ( -0.192 -1.304 0.218) 1.336 8.517 ( -0.470 3.306 -0.343) 3.356 8.678 ( -1.770 -0.354 0.221) 1.818 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 12.481 -5.883 0.000) 13.798 0.630 ( 15.129 -0.505 0.000) 15.137 0.861 ( 8.292 0.345 0.000) 8.299 1.147 ( -1.941 2.045 -0.000) 2.820 1.183 ( 8.099 -2.418 0.000) 8.452 1.241 ( 13.302 -2.499 0.000) 13.535 1.310 ( 25.969 -5.261 0.000) 26.497 1.429 ( 21.506 -0.615 0.000) 21.515 1.569 ( -3.777 -0.213 -0.000) 3.783 1.676 ( -6.248 1.176 -0.000) 6.358 1.735 ( -3.052 1.786 -0.000) 3.536 1.782 ( 0.642 -2.252 0.000) 2.342 1.812 ( -4.778 0.264 -0.000) 4.785 1.851 ( 1.654 2.136 -0.000) 2.701 1.864 ( -4.225 -1.197 0.000) 4.391 1.947 ( -8.938 4.568 -0.000) 10.038 1.965 ( -1.017 -2.093 0.000) 2.327 2.070 ( -4.396 -0.939 -0.000) 4.495 2.125 ( -4.329 -2.694 0.000) 5.099 2.201 ( -5.646 2.219 -0.000) 6.066 2.221 ( -2.035 0.008 -0.000) 2.035 2.286 ( 1.431 0.863 -0.000) 1.671 2.327 ( -2.624 -1.011 0.000) 2.812 2.348 ( -1.361 -0.064 -0.000) 1.363 2.858 ( -2.758 -0.008 -0.000) 2.758 2.923 ( -2.783 0.401 -0.000) 2.812 3.016 ( 6.163 0.254 0.000) 6.168 3.032 ( 6.891 0.061 0.000) 6.891 3.064 ( 5.694 -0.525 0.000) 5.718 3.103 ( 3.041 0.252 0.000) 3.051 3.885 ( -9.600 -0.436 -0.000) 9.610 3.909 ( -10.822 -0.020 -0.000) 10.822 4.802 ( 4.104 -0.142 0.000) 4.106 4.820 ( 4.207 0.091 0.000) 4.208 4.991 ( 1.267 -0.073 0.000) 1.269 5.003 ( 0.909 -0.082 0.000) 0.913 5.037 ( 0.628 -0.068 0.000) 0.632 5.054 ( 1.014 0.003 0.000) 1.014 5.474 ( 1.633 -0.085 0.000) 1.636 5.519 ( 1.000 0.794 -0.000) 1.276 7.624 ( 1.523 0.040 0.000) 1.524 7.645 ( 0.412 0.101 0.000) 0.424 8.406 ( 0.595 0.049 0.000) 0.597 8.449 ( 0.628 1.195 -0.000) 1.350 8.480 ( -0.363 -0.519 0.000) 0.633 8.484 ( -0.602 -1.204 0.000) 1.346 8.554 ( -0.915 3.500 -0.000) 3.618 8.704 ( -1.217 -0.141 -0.000) 1.225 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.153 ( 0.000 0.000 8.966) 8.966 0.155 ( 0.000 0.000 8.950) 8.950 0.372 ( 0.000 0.000 22.495) 22.495 0.558 ( -0.000 -0.000 -2.475) 2.475 0.619 ( -0.000 -0.000 -4.533) 4.533 1.020 ( 0.000 0.000 2.410) 2.410 1.128 ( -0.000 -0.000 -1.214) 1.214 1.258 ( -0.000 -0.000 -9.061) 9.061 1.637 ( 0.000 0.000 2.244) 2.244 1.725 ( -0.000 -0.000 -1.158) 1.158 1.784 ( -0.000 -0.000 -1.474) 1.474 1.799 ( 0.000 0.000 0.436) 0.436 1.831 ( -0.000 -0.000 -2.001) 2.001 1.856 ( -0.000 -0.000 -2.727) 2.727 2.082 ( -0.000 -0.000 -1.504) 1.504 2.112 ( -0.000 -0.000 -0.790) 0.790 2.172 ( -0.000 -0.000 -0.165) 0.165 2.181 ( -0.000 -0.000 -1.306) 1.306 2.227 ( 0.000 0.000 2.005) 2.005 2.233 ( 0.000 0.000 0.752) 0.752 2.284 ( 0.000 0.000 3.344) 3.344 2.374 ( -0.000 -0.000 -0.449) 0.449 2.403 ( 0.000 0.000 0.981) 0.981 2.492 ( -0.000 -0.000 -1.256) 1.256 2.845 ( 0.000 0.000 0.287) 0.287 2.857 ( 0.000 0.000 2.211) 2.211 2.873 ( -0.000 -0.000 -0.534) 0.534 2.918 ( 0.000 0.000 0.504) 0.504 2.969 ( -0.000 -0.000 -0.900) 0.900 3.019 ( -0.000 -0.000 -2.335) 2.335 4.067 ( 0.000 0.000 0.691) 0.691 4.122 ( -0.000 -0.000 -0.841) 0.841 4.714 ( 0.000 0.000 0.003) 0.003 4.716 ( -0.000 -0.000 -0.061) 0.061 4.985 ( -0.000 -0.000 -0.038) 0.038 4.986 ( -0.000 -0.000 -0.068) 0.068 5.025 ( 0.000 0.000 0.064) 0.064 5.029 ( -0.000 -0.000 -0.053) 0.053 5.434 ( 0.000 0.000 0.050) 0.050 5.438 ( -0.000 -0.000 -0.048) 0.048 7.599 ( 0.000 0.000 0.238) 0.238 7.635 ( -0.000 -0.000 -0.761) 0.761 8.338 ( 0.000 0.000 0.344) 0.344 8.383 ( -0.000 -0.000 -1.290) 1.290 8.440 ( 0.000 0.000 1.248) 1.248 8.494 ( -0.000 -0.000 -0.638) 0.638 8.608 ( -0.000 -0.000 -0.079) 0.079 8.611 ( -0.000 -0.000 -0.181) 0.181 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -14.997 1.172 5.447) 15.999 0.446 ( -5.610 2.591 15.709) 16.881 0.643 ( -12.590 3.311 -3.672) 13.527 0.753 ( -26.264 2.065 3.881) 26.629 0.832 ( -21.267 6.203 -2.097) 22.252 1.093 ( -6.299 -0.169 1.787) 6.550 1.167 ( -2.070 0.954 -3.602) 4.262 1.188 ( -1.562 -0.075 -5.751) 5.960 1.632 ( 1.746 -0.068 1.815) 2.519 1.717 ( 0.241 -0.615 -1.591) 1.723 1.751 ( 3.015 -4.986 -1.735) 6.080 1.785 ( -0.315 -0.627 -1.140) 1.339 1.826 ( -0.399 0.185 -0.787) 0.902 1.849 ( -1.913 2.935 -0.688) 3.571 1.972 ( 7.911 -2.700 4.915) 9.697 2.045 ( 10.195 3.223 -1.356) 10.778 2.076 ( 1.645 0.223 -1.574) 2.288 2.126 ( 2.635 -2.158 -0.468) 3.438 2.217 ( 6.014 -0.589 1.470) 6.219 2.242 ( 1.865 -1.351 2.010) 3.057 2.274 ( -0.190 -1.523 0.616) 1.654 2.338 ( -0.197 2.571 -0.635) 2.656 2.391 ( 7.152 -0.384 -0.287) 7.168 2.416 ( 5.340 2.319 1.377) 5.982 2.903 ( 1.525 -0.125 0.503) 1.611 2.911 ( -6.273 -0.256 0.470) 6.296 2.924 ( -6.045 0.132 1.366) 6.199 2.945 ( -2.725 -0.251 -0.645) 2.812 2.951 ( -1.919 0.341 -0.493) 2.011 3.040 ( -2.971 -0.076 -1.828) 3.489 4.022 ( 5.523 0.358 0.670) 5.575 4.059 ( 6.539 0.169 -0.709) 6.579 4.740 ( -2.833 0.052 0.092) 2.835 4.748 ( -3.309 0.025 -0.190) 3.315 4.980 ( -0.288 -0.186 0.423) 0.544 4.989 ( -0.490 0.065 -0.071) 0.499 5.030 ( -0.459 -0.027 0.148) 0.483 5.037 ( -0.681 0.178 -0.098) 0.710 5.449 ( -1.427 0.059 0.252) 1.450 5.480 ( -2.551 -0.515 -1.605) 3.057 7.606 ( -0.741 0.010 0.299) 0.800 7.633 ( -0.280 -0.084 -0.731) 0.788 8.389 ( -1.524 -0.570 -0.522) 1.709 8.420 ( -3.173 -1.017 -2.420) 4.118 8.457 ( -0.669 1.543 0.343) 1.716 8.488 ( 0.572 0.486 -0.603) 0.963 8.593 ( 0.598 -2.680 -0.031) 2.746 8.652 ( -2.502 1.411 -2.673) 3.924 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -7.406 3.087 11.855) 14.315 0.677 ( -13.053 0.849 3.768) 13.613 0.810 ( -9.741 0.193 -3.563) 10.374 1.011 ( -0.462 0.861 -9.184) 9.236 1.201 ( -7.380 -1.556 1.115) 7.625 1.289 ( -9.280 3.349 0.770) 9.896 1.330 ( -27.932 4.653 1.995) 28.387 1.414 ( -21.279 2.470 -0.684) 21.433 1.603 ( 0.812 -2.023 2.352) 3.207 1.651 ( 3.573 -3.556 -0.461) 5.062 1.717 ( -1.037 -0.133 -2.908) 3.090 1.773 ( 2.625 0.513 -0.576) 2.736 1.806 ( 5.839 -0.663 -0.634) 5.910 1.854 ( 8.339 1.023 -0.025) 8.402 1.861 ( 0.779 0.656 0.401) 1.095 1.902 ( 0.197 2.544 -1.917) 3.192 2.015 ( 8.227 -2.853 3.464) 9.372 2.054 ( 1.557 -1.153 -0.865) 2.122 2.133 ( 4.934 1.722 -0.493) 5.249 2.180 ( 7.235 1.939 -1.563) 7.652 2.234 ( -1.062 -2.212 1.636) 2.949 2.313 ( -1.836 -1.020 0.513) 2.163 2.336 ( 2.188 -0.712 0.136) 2.305 2.349 ( 4.766 1.633 0.828) 5.106 2.865 ( 2.685 -0.116 0.637) 2.762 2.903 ( 2.685 -0.265 -1.315) 3.002 3.024 ( -6.141 -0.374 0.569) 6.179 3.044 ( -6.229 -0.361 0.539) 6.263 3.058 ( -5.737 0.076 -0.172) 5.740 3.098 ( -3.972 0.268 -0.430) 4.004 3.890 ( 9.851 0.311 0.374) 9.863 3.905 ( 10.570 0.133 -0.333) 10.576 4.805 ( -4.149 0.121 0.242) 4.158 4.816 ( -4.232 0.026 -0.273) 4.241 4.994 ( -1.116 -0.057 0.179) 1.132 5.002 ( -0.933 0.121 -0.069) 0.943 5.041 ( -0.727 -0.007 0.257) 0.771 5.051 ( -0.918 0.032 -0.190) 0.938 5.480 ( -1.698 0.001 0.494) 1.769 5.505 ( -1.474 -0.436 -0.913) 1.788 7.627 ( -1.405 0.017 0.257) 1.428 7.639 ( -0.755 -0.024 -0.400) 0.855 8.409 ( -1.020 -0.222 0.335) 1.096 8.437 ( -1.006 -1.299 -0.932) 1.889 8.475 ( 0.304 1.355 -0.415) 1.450 8.478 ( 0.452 0.590 -0.086) 0.748 8.561 ( 0.460 -3.386 0.409) 3.442 8.673 ( 0.093 1.387 -1.589) 2.111 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -7.984 2.475 6.581) 10.639 0.881 ( -9.038 -2.735 1.030) 9.499 0.954 ( -8.333 -1.528 -1.246) 8.563 1.017 ( -3.944 1.155 -5.968) 7.246 1.286 ( -4.200 -3.121 0.521) 5.259 1.454 ( -5.979 2.092 -0.492) 6.354 1.532 ( 6.631 -0.120 2.571) 7.113 1.563 ( 2.091 -2.253 2.639) 4.051 1.600 ( 4.690 0.397 -1.094) 4.833 1.674 ( 3.078 2.268 -0.381) 3.843 1.725 ( 0.503 1.287 -1.853) 2.311 1.773 ( -0.507 0.664 -0.209) 0.861 1.780 ( -3.767 -1.162 -0.405) 3.963 1.809 ( -2.286 0.640 0.211) 2.383 1.857 ( 4.198 -1.639 0.689) 4.559 1.879 ( -3.410 -0.942 0.070) 3.539 1.965 ( -4.592 1.513 -1.108) 4.960 1.991 ( 0.545 3.724 -0.014) 3.764 2.082 ( -5.394 0.536 -0.140) 5.422 2.173 ( 1.013 3.134 2.274) 4.002 2.271 ( 1.483 -2.070 0.401) 2.578 2.281 ( -0.338 -0.881 -0.480) 1.059 2.318 ( -6.027 -0.073 -0.995) 6.109 2.371 ( -4.907 0.585 0.517) 4.968 2.815 ( 3.098 -0.406 0.559) 3.174 2.842 ( 3.394 -0.371 -0.970) 3.550 3.116 ( -4.231 -0.234 0.485) 4.265 3.130 ( -3.891 -0.730 0.082) 3.959 3.137 ( -3.711 -0.611 -0.578) 3.805 3.171 ( -3.537 0.693 0.443) 3.632 3.691 ( 12.860 0.079 -0.024) 12.860 3.698 ( 12.852 0.278 0.030) 12.855 4.877 ( -3.686 -0.113 0.054) 3.688 4.887 ( -3.722 0.119 -0.002) 3.724 5.016 ( -1.240 -0.003 0.025) 1.240 5.021 ( -1.038 0.123 -0.003) 1.046 5.056 ( -0.741 0.026 0.366) 0.827 5.065 ( -0.778 -0.065 -0.317) 0.842 5.507 ( -1.169 -0.055 0.450) 1.254 5.520 ( -0.868 -0.286 -0.532) 1.057 7.653 ( -1.284 -0.058 -0.008) 1.286 7.657 ( -1.423 0.111 0.065) 1.429 8.421 ( -0.321 -0.064 0.358) 0.485 8.437 ( -0.444 -1.168 -0.508) 1.349 8.464 ( 0.984 0.526 0.324) 1.162 8.479 ( 0.509 0.998 -0.710) 1.326 8.535 ( 0.194 -2.851 0.660) 2.933 8.664 ( 1.196 0.882 -0.611) 1.607 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -4.801 -2.619 0.680) 5.512 0.970 ( -5.261 -3.302 -0.714) 6.252 1.076 ( -5.378 -0.621 1.455) 5.606 1.100 ( -5.723 -0.030 -1.561) 5.932 1.321 ( -2.362 -2.776 -0.022) 3.645 1.428 ( 4.951 0.960 0.843) 5.114 1.452 ( 5.623 1.935 0.188) 5.949 1.509 ( 2.527 1.374 2.423) 3.761 1.547 ( 5.453 1.650 -0.754) 5.747 1.619 ( 3.704 -0.473 -1.281) 3.948 1.685 ( 1.627 -1.720 -0.664) 2.459 1.712 ( 0.728 -1.313 0.188) 1.513 1.765 ( 0.577 1.835 2.427) 3.096 1.811 ( -0.151 0.343 -1.205) 1.261 1.855 ( -1.390 0.973 -3.258) 3.673 1.933 ( -0.561 -0.853 2.240) 2.462 1.961 ( -0.427 -0.389 -1.113) 1.254 2.086 ( 1.456 2.530 1.147) 3.137 2.159 ( -0.783 1.855 2.612) 3.298 2.195 ( -0.899 -4.659 -1.302) 4.920 2.244 ( -2.117 2.272 -1.096) 3.293 2.327 ( -2.736 -0.682 0.117) 2.822 2.548 ( -16.194 1.500 0.006) 16.263 2.560 ( -14.486 1.073 0.193) 14.527 2.761 ( 2.282 -0.785 0.011) 2.413 2.780 ( 2.747 -0.211 -0.315) 2.773 3.170 ( -1.884 -0.505 0.424) 1.996 3.176 ( -2.030 -0.586 0.010) 2.113 3.178 ( -1.803 -0.391 -0.447) 1.898 3.224 ( -1.759 0.579 0.214) 1.864 3.457 ( 12.997 -0.035 -0.075) 12.997 3.468 ( 12.938 0.204 0.042) 12.940 4.927 ( -2.145 -0.298 -0.060) 2.166 4.942 ( -2.189 0.129 0.106) 2.195 5.035 ( -0.844 0.012 -0.022) 0.844 5.037 ( -0.673 0.035 0.012) 0.674 5.068 ( -0.347 -0.003 0.328) 0.477 5.075 ( -0.517 -0.034 -0.293) 0.596 5.523 ( -0.492 -0.063 0.235) 0.549 5.528 ( -0.376 -0.131 -0.245) 0.468 7.671 ( -0.843 -0.160 0.053) 0.860 7.682 ( -1.106 0.133 0.010) 1.114 8.424 ( 0.063 0.071 0.118) 0.151 8.433 ( -0.256 -1.042 -0.318) 1.120 8.454 ( 0.501 -0.166 0.568) 0.776 8.474 ( 0.705 1.722 -0.636) 1.967 8.517 ( 0.124 -2.202 0.407) 2.243 8.646 ( 0.969 0.352 -0.162) 1.043 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -1.823 -1.020 1.283) 2.452 1.018 ( -2.747 -1.303 -1.848) 3.558 1.075 ( 4.485 0.831 0.460) 4.585 1.178 ( -0.382 1.829 0.243) 1.884 1.332 ( -0.381 -0.885 -0.207) 0.986 1.384 ( 0.291 -3.036 0.364) 3.071 1.409 ( 1.910 2.727 -0.101) 3.331 1.462 ( 0.861 -1.154 0.332) 1.478 1.480 ( -0.646 -1.523 -0.276) 1.677 1.588 ( 0.499 0.753 -1.171) 1.480 1.677 ( -2.137 -0.898 0.450) 2.361 1.707 ( -0.089 -0.224 0.108) 0.264 1.788 ( 0.439 1.746 2.812) 3.339 1.821 ( -1.061 0.762 -0.067) 1.308 1.844 ( 1.030 1.226 -3.068) 3.461 1.938 ( -2.083 -3.804 0.699) 4.393 1.980 ( 0.406 1.678 -0.067) 1.727 2.058 ( 1.316 -0.260 0.296) 1.374 2.145 ( 0.993 -5.394 -0.700) 5.530 2.195 ( -0.139 3.049 0.486) 3.090 2.292 ( -0.687 2.552 0.051) 2.644 2.341 ( 0.190 -1.355 -0.080) 1.370 2.717 ( 0.832 -0.670 0.015) 1.069 2.721 ( 0.600 -0.091 -0.040) 0.609 2.758 ( 0.246 -0.104 0.049) 0.271 2.764 ( -1.748 0.881 -0.026) 1.957 3.184 ( -0.111 -0.702 0.239) 0.750 3.188 ( -0.104 -0.270 -0.291) 0.410 3.196 ( -0.065 0.260 0.049) 0.273 3.241 ( 0.519 0.386 0.003) 0.646 3.312 ( -0.277 -0.072 -0.007) 0.286 3.321 ( 0.082 0.014 0.008) 0.084 4.946 ( -0.217 -0.226 0.000) 0.313 4.960 ( 0.208 0.037 -0.000) 0.212 5.043 ( -0.033 -0.048 0.015) 0.060 5.043 ( -0.043 -0.041 -0.015) 0.061 5.068 ( 0.229 -0.166 -0.001) 0.283 5.081 ( -0.164 0.158 0.001) 0.227 5.526 ( 0.135 -0.053 0.000) 0.145 5.531 ( -0.141 0.054 -0.000) 0.151 7.678 ( -0.031 -0.318 -0.000) 0.319 7.693 ( 0.047 0.127 0.000) 0.136 8.425 ( -0.105 0.151 0.216) 0.283 8.429 ( -0.142 -0.704 -0.342) 0.795 8.450 ( -0.040 -0.426 0.272) 0.507 8.476 ( 0.530 2.478 -0.229) 2.544 8.503 ( -0.188 -1.834 0.085) 1.846 8.639 ( -0.159 0.009 -0.002) 0.159 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 10.010 -1.928 0.000) 10.193 0.998 ( 5.467 3.672 -0.000) 6.586 1.027 ( 2.973 3.432 -0.000) 4.540 1.149 ( 2.919 2.027 -0.000) 3.554 1.327 ( 1.371 -0.724 0.000) 1.550 1.396 ( -1.878 -2.971 0.000) 3.515 1.429 ( -8.975 -1.796 -0.000) 9.153 1.501 ( -1.057 0.725 -0.000) 1.282 1.503 ( -3.662 -2.530 0.000) 4.451 1.602 ( -2.436 0.561 -0.000) 2.500 1.716 ( -1.008 2.289 -0.000) 2.501 1.745 ( -5.258 -1.103 -0.000) 5.372 1.769 ( 2.565 0.345 0.000) 2.589 1.841 ( 1.212 2.415 -0.000) 2.702 1.862 ( -4.297 -1.842 0.000) 4.675 1.952 ( -2.752 -3.343 0.000) 4.330 1.969 ( 2.637 1.644 -0.000) 3.107 2.045 ( -0.837 -1.102 0.000) 1.383 2.066 ( 4.312 -5.363 0.000) 6.882 2.222 ( -0.007 3.660 -0.000) 3.660 2.298 ( 3.769 -1.980 0.000) 4.258 2.302 ( 1.244 1.964 -0.000) 2.325 2.548 ( 14.591 -1.939 0.000) 14.719 2.551 ( 15.426 -0.444 0.000) 15.432 2.761 ( -1.829 0.037 -0.000) 1.829 2.792 ( -2.959 0.818 -0.000) 3.070 3.164 ( 1.992 -0.332 0.000) 2.020 3.175 ( 1.640 0.249 0.000) 1.658 3.186 ( 1.487 0.375 0.000) 1.533 3.216 ( 2.501 0.165 0.000) 2.507 3.461 ( -13.112 -0.155 -0.000) 13.113 3.465 ( -12.841 -0.225 -0.000) 12.843 4.932 ( 1.738 -0.030 0.000) 1.739 4.935 ( 2.539 -0.071 0.000) 2.540 5.036 ( 0.849 -0.087 0.000) 0.853 5.037 ( 0.638 -0.118 0.000) 0.649 5.060 ( 0.479 -0.160 0.000) 0.505 5.081 ( 0.403 0.190 -0.000) 0.446 5.518 ( 0.695 -0.038 0.000) 0.696 5.533 ( 0.132 0.246 -0.000) 0.279 7.669 ( 0.638 -0.304 0.000) 0.707 7.682 ( 1.280 0.078 0.000) 1.282 8.423 ( 0.057 -0.717 0.000) 0.719 8.435 ( -0.286 0.974 -0.000) 1.015 8.452 ( -0.633 -0.620 0.000) 0.886 8.490 ( 0.082 2.998 -0.000) 2.999 8.497 ( -0.435 -1.579 0.000) 1.638 8.652 ( -1.339 -0.197 -0.000) 1.353 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( 0.000 0.000 7.923) 7.923 0.224 ( 0.000 0.000 7.736) 7.736 0.535 ( -0.000 -0.000 -3.107) 3.107 0.554 ( 0.000 0.000 21.958) 21.958 0.577 ( -0.000 -0.000 -5.440) 5.440 1.041 ( 0.000 0.000 2.731) 2.731 1.117 ( -0.000 -0.000 -1.639) 1.639 1.166 ( -0.000 -0.000 -13.270) 13.270 1.657 ( 0.000 0.000 2.697) 2.697 1.716 ( -0.000 -0.000 -1.025) 1.025 1.775 ( -0.000 -0.000 -0.686) 0.686 1.800 ( -0.000 -0.000 -0.242) 0.242 1.814 ( -0.000 -0.000 -2.024) 2.024 1.831 ( -0.000 -0.000 -3.205) 3.205 2.073 ( -0.000 -0.000 -0.583) 0.583 2.103 ( -0.000 -0.000 -1.266) 1.266 2.171 ( -0.000 -0.000 -0.205) 0.205 2.173 ( -0.000 -0.000 -0.704) 0.704 2.240 ( 0.000 0.000 0.896) 0.896 2.241 ( 0.000 0.000 1.430) 1.430 2.310 ( 0.000 0.000 2.965) 2.965 2.369 ( -0.000 -0.000 -0.783) 0.783 2.413 ( 0.000 0.000 1.559) 1.559 2.480 ( -0.000 -0.000 -1.766) 1.766 2.848 ( 0.000 0.000 0.434) 0.434 2.868 ( -0.000 -0.000 -0.675) 0.675 2.878 ( 0.000 0.000 3.050) 3.050 2.923 ( 0.000 0.000 0.771) 0.771 2.960 ( -0.000 -0.000 -1.169) 1.169 2.996 ( -0.000 -0.000 -3.175) 3.175 4.074 ( 0.000 0.000 0.975) 0.975 4.113 ( -0.000 -0.000 -1.126) 1.126 4.714 ( 0.000 0.000 0.015) 0.015 4.715 ( -0.000 -0.000 -0.073) 0.073 4.985 ( -0.000 -0.000 -0.033) 0.033 4.986 ( -0.000 -0.000 -0.074) 0.074 5.025 ( 0.000 0.000 0.086) 0.086 5.028 ( -0.000 -0.000 -0.075) 0.075 5.435 ( 0.000 0.000 0.068) 0.068 5.437 ( -0.000 -0.000 -0.066) 0.066 7.601 ( 0.000 0.000 0.426) 0.426 7.627 ( -0.000 -0.000 -0.950) 0.950 8.341 ( 0.000 0.000 0.541) 0.541 8.372 ( -0.000 -0.000 -1.277) 1.277 8.451 ( 0.000 0.000 1.283) 1.283 8.488 ( -0.000 -0.000 -0.882) 0.882 8.607 ( -0.000 -0.000 -0.060) 0.060 8.610 ( -0.000 -0.000 -0.200) 0.200 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -14.208 0.932 5.864) 15.399 0.561 ( -11.252 2.393 9.396) 14.853 0.615 ( -6.111 2.716 -0.572) 6.712 0.774 ( -23.869 1.394 -0.966) 23.929 0.832 ( -20.443 6.446 4.363) 21.875 1.091 ( -1.646 -0.651 -7.243) 7.456 1.119 ( -5.540 1.777 -1.417) 5.988 1.164 ( -5.832 0.671 -1.786) 6.136 1.649 ( 1.685 -0.717 2.278) 2.922 1.703 ( 0.385 -0.853 -1.765) 1.997 1.738 ( 3.136 -4.776 -1.340) 5.869 1.774 ( 0.437 0.118 -1.462) 1.531 1.822 ( -1.528 -0.104 -0.379) 1.578 1.844 ( -1.906 2.671 -0.452) 3.313 2.000 ( 9.161 -3.322 1.879) 9.924 2.033 ( 8.653 1.324 -1.352) 8.858 2.072 ( 1.504 1.491 0.459) 2.167 2.122 ( 2.906 -0.223 -0.549) 2.966 2.230 ( 6.585 -0.672 1.598) 6.809 2.257 ( 3.016 -0.567 1.294) 3.331 2.278 ( -0.414 -2.364 0.343) 2.424 2.333 ( 0.391 2.251 -0.630) 2.370 2.388 ( 6.049 -1.731 -0.374) 6.303 2.426 ( 4.499 2.846 0.878) 5.396 2.908 ( 1.451 -0.168 0.750) 1.642 2.915 ( -6.234 -0.224 0.518) 6.260 2.930 ( -6.222 0.076 0.094) 6.223 2.937 ( 1.354 -0.330 -1.143) 1.803 2.956 ( -5.334 0.080 1.652) 5.584 3.022 ( -3.697 0.159 -2.413) 4.418 4.028 ( 5.678 0.342 0.859) 5.753 4.052 ( 6.336 0.261 -0.899) 6.405 4.741 ( -2.908 0.059 0.154) 2.913 4.746 ( -3.215 0.047 -0.226) 3.224 4.983 ( -0.292 -0.234 0.261) 0.457 4.989 ( -0.458 0.092 -0.074) 0.473 5.031 ( -0.524 -0.065 0.145) 0.547 5.036 ( -0.670 0.171 -0.109) 0.700 5.451 ( -1.594 0.027 0.379) 1.638 5.469 ( -2.420 -0.195 -1.168) 2.694 7.609 ( -0.698 0.019 0.473) 0.844 7.627 ( -0.401 -0.040 -0.823) 0.917 8.385 ( -2.038 -0.511 -0.335) 2.128 8.403 ( -3.370 -0.255 -1.760) 3.811 8.462 ( -0.267 1.045 0.775) 1.328 8.483 ( 0.416 0.552 -0.744) 1.015 8.593 ( 0.442 -2.677 -0.021) 2.713 8.636 ( -1.764 1.840 -1.323) 2.872 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -12.368 -0.314 4.827) 13.280 0.733 ( -4.981 3.001 11.371) 12.771 0.780 ( -10.569 0.559 -3.636) 11.191 0.929 ( -1.517 1.558 -10.836) 11.052 1.209 ( -7.145 -1.917 0.765) 7.437 1.292 ( -10.037 3.466 0.046) 10.619 1.345 ( -25.519 3.116 1.412) 25.748 1.410 ( -23.308 4.241 -0.379) 23.693 1.622 ( 0.512 -2.891 2.234) 3.689 1.649 ( 2.971 -4.000 0.085) 4.983 1.695 ( -1.756 -0.442 -2.558) 3.134 1.762 ( 0.926 1.250 -1.527) 2.180 1.807 ( 9.615 -1.017 0.384) 9.676 1.850 ( 5.673 1.272 -0.534) 5.838 1.867 ( 3.374 1.324 0.673) 3.686 1.890 ( 0.056 2.759 -1.055) 2.954 2.040 ( 6.096 -3.204 1.626) 7.076 2.052 ( 2.627 -1.316 0.998) 3.103 2.124 ( 7.772 0.698 -1.657) 7.978 2.171 ( 3.837 3.344 -0.700) 5.138 2.247 ( -0.387 -2.686 1.275) 2.998 2.314 ( -1.755 -0.466 -0.252) 1.833 2.337 ( 2.487 -0.985 0.058) 2.676 2.357 ( 5.038 1.629 0.785) 5.353 2.871 ( 2.658 -0.246 0.849) 2.801 2.893 ( 2.651 -0.144 -1.259) 2.939 3.029 ( -6.117 -0.439 0.512) 6.154 3.045 ( -6.057 -0.026 -0.167) 6.059 3.059 ( -5.469 -0.742 0.381) 5.533 3.094 ( -4.568 0.706 -0.435) 4.643 3.893 ( 10.032 0.217 0.397) 10.042 3.902 ( 10.384 0.221 -0.373) 10.393 4.807 ( -4.147 0.084 0.281) 4.157 4.814 ( -4.262 0.095 -0.299) 4.273 4.996 ( -1.071 -0.119 0.117) 1.084 5.002 ( -0.943 0.155 -0.054) 0.958 5.043 ( -0.807 -0.070 0.234) 0.843 5.050 ( -0.839 0.080 -0.192) 0.865 5.484 ( -1.728 -0.078 0.643) 1.845 5.498 ( -1.610 -0.267 -0.891) 1.860 7.629 ( -1.291 0.033 0.340) 1.336 7.636 ( -0.955 0.010 -0.429) 1.047 8.412 ( -1.227 -0.445 0.463) 1.385 8.429 ( -1.212 -0.989 -0.876) 1.793 8.472 ( 0.448 1.231 -0.212) 1.327 8.478 ( 0.358 0.652 -0.053) 0.746 8.564 ( 0.256 -3.418 0.272) 3.438 8.662 ( -0.086 1.794 -0.925) 2.020 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -5.503 0.972 4.674) 7.286 0.887 ( -7.659 -2.844 0.398) 8.180 0.946 ( -9.404 -1.088 -0.589) 9.485 0.971 ( -6.236 2.371 -4.313) 7.945 1.289 ( -4.240 -3.677 0.229) 5.617 1.451 ( -5.808 2.120 -0.296) 6.190 1.546 ( 6.097 -1.860 0.863) 6.432 1.586 ( 2.928 -1.432 2.130) 3.893 1.593 ( 4.560 0.485 -0.531) 4.617 1.663 ( 0.172 2.816 -1.447) 3.171 1.720 ( 3.123 1.902 0.142) 3.659 1.765 ( -0.038 2.624 -1.108) 2.848 1.777 ( -3.539 -2.123 -0.010) 4.127 1.816 ( -4.561 -0.650 0.718) 4.663 1.862 ( 8.430 -2.428 0.383) 8.781 1.879 ( -4.484 -1.093 -0.044) 4.615 1.956 ( -4.368 1.782 -0.745) 4.776 1.992 ( -2.374 4.705 0.191) 5.274 2.080 ( -5.328 -0.041 -0.149) 5.330 2.187 ( 1.061 3.646 1.004) 3.927 2.270 ( 2.580 -3.231 -0.330) 4.148 2.282 ( 0.119 -0.454 0.493) 0.681 2.310 ( -7.000 0.432 -0.706) 7.049 2.374 ( -4.904 0.467 0.221) 4.931 2.819 ( 3.184 -0.720 0.405) 3.290 2.835 ( 3.254 -0.087 -0.561) 3.303 3.120 ( -4.252 -0.268 0.297) 4.270 3.130 ( -3.792 -0.399 0.016) 3.813 3.133 ( -3.776 -1.058 -0.309) 3.934 3.174 ( -3.545 0.775 0.159) 3.632 3.691 ( 12.916 0.023 -0.009) 12.916 3.698 ( 12.796 0.294 0.011) 12.799 4.877 ( -3.610 -0.186 0.022) 3.614 4.887 ( -3.822 0.178 -0.002) 3.826 5.016 ( -1.217 -0.030 0.009) 1.218 5.021 ( -1.055 0.128 -0.001) 1.063 5.059 ( -0.828 -0.033 0.310) 0.884 5.063 ( -0.692 -0.010 -0.292) 0.751 5.511 ( -1.091 -0.124 0.526) 1.217 5.516 ( -0.983 -0.202 -0.557) 1.148 7.653 ( -1.259 -0.064 -0.002) 1.260 7.657 ( -1.486 0.115 0.024) 1.490 8.424 ( -0.262 -0.208 0.235) 0.409 8.433 ( -0.526 -1.089 -0.296) 1.245 8.468 ( 0.782 0.548 0.525) 1.090 8.473 ( 0.638 0.958 -0.660) 1.327 8.539 ( 0.159 -2.863 0.249) 2.878 8.660 ( 1.072 1.023 -0.238) 1.501 ======================= Grid point 38 (27/171) ======================= q-point: (-0.30 -0.70 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -4.578 -3.835 0.000) 5.972 0.966 ( -4.787 -2.518 0.000) 5.408 1.086 ( -4.041 0.571 -0.000) 4.081 1.089 ( -7.765 -0.780 -0.000) 7.804 1.321 ( -2.400 -3.030 0.000) 3.865 1.432 ( 4.893 0.171 0.000) 4.896 1.452 ( 5.397 2.677 -0.000) 6.024 1.530 ( 4.372 -0.707 0.000) 4.428 1.534 ( 3.276 3.888 -0.000) 5.084 1.614 ( 5.451 -0.811 0.000) 5.511 1.682 ( 0.810 -1.980 0.000) 2.139 1.711 ( 0.424 -1.147 0.000) 1.223 1.790 ( 0.582 2.782 -0.000) 2.842 1.794 ( 0.322 0.748 -0.000) 0.814 1.840 ( -1.764 -0.188 -0.000) 1.774 1.948 ( -2.241 1.749 -0.000) 2.842 1.950 ( 1.007 -3.157 0.000) 3.313 2.091 ( 1.599 2.643 -0.000) 3.089 2.172 ( -0.088 1.771 -0.000) 1.773 2.188 ( -1.478 -4.694 0.000) 4.921 2.239 ( -2.142 2.219 -0.000) 3.084 2.327 ( -2.749 -0.674 -0.000) 2.831 2.548 ( -16.343 1.480 -0.000) 16.409 2.561 ( -14.416 1.113 -0.000) 14.459 2.761 ( 2.358 -0.921 0.000) 2.532 2.779 ( 2.699 -0.093 0.000) 2.701 3.173 ( -2.011 -1.055 0.000) 2.271 3.175 ( -1.650 -0.361 -0.000) 1.689 3.177 ( -2.102 -0.166 -0.000) 2.108 3.225 ( -1.698 0.633 -0.000) 1.812 3.457 ( 12.993 -0.053 0.000) 12.993 3.468 ( 12.940 0.199 0.000) 12.941 4.927 ( -2.157 -0.324 -0.000) 2.181 4.942 ( -2.183 0.126 -0.000) 2.186 5.035 ( -0.847 0.003 -0.000) 0.847 5.038 ( -0.673 0.028 -0.000) 0.674 5.070 ( -0.220 -0.096 0.000) 0.240 5.073 ( -0.642 0.057 -0.000) 0.645 5.524 ( -0.381 -0.113 0.000) 0.397 5.526 ( -0.491 -0.080 -0.000) 0.498 7.672 ( -0.868 -0.216 -0.000) 0.895 7.682 ( -1.085 0.162 -0.000) 1.097 8.424 ( 0.104 0.103 -0.000) 0.147 8.432 ( -0.298 -1.127 0.000) 1.165 8.457 ( 0.372 -0.603 0.000) 0.708 8.471 ( 0.816 2.218 -0.000) 2.363 8.518 ( 0.137 -2.271 0.000) 2.275 8.645 ( 0.928 0.371 -0.000) 0.999 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 0.000 0.000 5.189) 5.189 0.278 ( 0.000 0.000 5.315) 5.315 0.512 ( -0.000 -0.000 -2.220) 2.220 0.534 ( -0.000 -0.000 -4.770) 4.770 0.730 ( 0.000 0.000 20.949) 20.949 1.043 ( -0.000 -0.000 -16.731) 16.731 1.063 ( 0.000 0.000 2.643) 2.643 1.102 ( -0.000 -0.000 -2.005) 2.005 1.679 ( 0.000 0.000 2.489) 2.489 1.708 ( -0.000 -0.000 -1.098) 1.098 1.774 ( 0.000 0.000 0.645) 0.645 1.796 ( -0.000 -0.000 -0.537) 0.537 1.800 ( -0.000 -0.000 -1.295) 1.295 1.806 ( -0.000 -0.000 -2.919) 2.919 2.073 ( 0.000 0.000 0.511) 0.511 2.092 ( -0.000 -0.000 -1.483) 1.483 2.169 ( -0.000 -0.000 -0.254) 0.254 2.169 ( -0.000 -0.000 -0.171) 0.171 2.247 ( 0.000 0.000 0.717) 0.717 2.250 ( 0.000 0.000 0.567) 0.567 2.332 ( 0.000 0.000 2.361) 2.361 2.361 ( -0.000 -0.000 -1.213) 1.213 2.428 ( 0.000 0.000 2.026) 2.026 2.464 ( -0.000 -0.000 -2.114) 2.114 2.852 ( 0.000 0.000 0.571) 0.571 2.863 ( -0.000 -0.000 -0.717) 0.717 2.906 ( 0.000 0.000 3.605) 3.605 2.931 ( 0.000 0.000 1.022) 1.022 2.950 ( -0.000 -0.000 -1.268) 1.268 2.967 ( -0.000 -0.000 -3.683) 3.683 4.083 ( 0.000 0.000 1.184) 1.184 4.103 ( -0.000 -0.000 -1.278) 1.278 4.714 ( 0.000 0.000 0.033) 0.033 4.715 ( -0.000 -0.000 -0.069) 0.069 4.985 ( -0.000 -0.000 -0.009) 0.009 4.985 ( -0.000 -0.000 -0.057) 0.057 5.026 ( 0.000 0.000 0.098) 0.098 5.028 ( -0.000 -0.000 -0.091) 0.091 5.435 ( 0.000 0.000 0.079) 0.079 5.437 ( -0.000 -0.000 -0.078) 0.078 7.606 ( 0.000 0.000 0.648) 0.648 7.619 ( -0.000 -0.000 -0.971) 0.971 8.346 ( 0.000 0.000 0.752) 0.752 8.362 ( -0.000 -0.000 -1.150) 1.150 8.461 ( 0.000 0.000 1.251) 1.251 8.480 ( -0.000 -0.000 -1.061) 1.061 8.607 ( 0.000 0.000 0.002) 0.002 8.608 ( -0.000 -0.000 -0.163) 0.163 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -14.062 -0.354 4.453) 14.755 0.556 ( -11.604 4.149 -3.774) 12.888 0.677 ( -11.383 2.519 9.373) 14.959 0.741 ( -18.423 2.762 -6.175) 19.626 0.897 ( -13.881 2.502 9.924) 17.246 1.004 ( -7.049 2.808 -11.212) 13.539 1.127 ( -5.671 -0.265 1.208) 5.804 1.151 ( -6.024 1.425 -1.170) 6.300 1.669 ( 1.457 -1.092 2.388) 3.003 1.687 ( 0.938 -1.130 -2.163) 2.615 1.730 ( 2.894 -4.453 -0.478) 5.333 1.765 ( 0.923 0.441 -0.607) 1.189 1.820 ( -2.045 0.175 -0.063) 2.054 1.841 ( -2.078 2.298 -0.236) 3.107 2.008 ( 9.600 -2.616 0.352) 9.956 2.025 ( 7.697 0.526 -0.547) 7.735 2.077 ( 1.214 -0.137 0.586) 1.354 2.118 ( 3.420 1.981 -0.351) 3.968 2.242 ( 5.969 -1.516 1.038) 6.246 2.262 ( 6.065 0.657 -0.018) 6.100 2.281 ( -2.188 -2.958 0.275) 3.690 2.329 ( 1.277 2.127 -0.340) 2.504 2.386 ( 4.854 -2.360 -0.117) 5.398 2.430 ( 4.163 3.071 0.276) 5.181 2.914 ( 0.588 -0.243 0.768) 0.997 2.919 ( -4.871 -0.149 0.227) 4.878 2.928 ( -2.823 -0.158 -0.533) 2.878 2.929 ( -2.362 -0.104 -0.556) 2.429 2.973 ( -4.896 -0.583 2.100) 5.359 3.002 ( -4.465 0.753 -2.218) 5.042 4.036 ( 5.881 0.299 0.943) 5.964 4.044 ( 6.099 0.341 -0.960) 6.184 4.742 ( -3.014 0.053 0.195) 3.020 4.744 ( -3.100 0.066 -0.222) 3.108 4.985 ( -0.346 -0.280 0.095) 0.455 4.988 ( -0.419 0.137 -0.039) 0.443 5.032 ( -0.582 -0.119 0.078) 0.599 5.035 ( -0.643 0.202 -0.065) 0.677 5.455 ( -1.831 -0.059 0.502) 1.900 5.461 ( -2.112 0.005 -0.754) 2.242 7.614 ( -0.626 0.012 0.649) 0.901 7.620 ( -0.522 -0.001 -0.782) 0.941 8.383 ( -2.607 -0.628 -0.071) 2.683 8.393 ( -2.873 0.192 -0.642) 2.950 8.469 ( 0.036 0.748 0.809) 1.102 8.476 ( 0.195 0.682 -0.785) 1.058 8.593 ( 0.332 -2.695 -0.007) 2.715 8.629 ( -1.301 1.982 -0.397) 2.404 ======================= Grid point 48 (30/171) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -12.402 -0.717 -0.000) 12.422 0.757 ( -10.986 0.878 -0.000) 11.021 0.823 ( -1.771 1.564 -0.000) 2.362 0.845 ( -3.851 3.016 -0.000) 4.892 1.212 ( -7.049 -2.037 0.000) 7.338 1.292 ( -10.215 3.495 -0.000) 10.797 1.351 ( -24.235 2.133 -0.000) 24.329 1.408 ( -24.656 5.314 -0.000) 25.222 1.633 ( 1.005 -3.704 0.000) 3.837 1.651 ( 2.512 -3.908 0.000) 4.646 1.681 ( -2.371 -0.344 -0.000) 2.396 1.755 ( 0.864 1.456 -0.000) 1.693 1.809 ( 10.892 -1.026 0.000) 10.940 1.848 ( 4.461 1.600 -0.000) 4.740 1.870 ( 4.415 1.275 -0.000) 4.596 1.885 ( -0.263 2.872 -0.000) 2.884 2.043 ( 2.399 -2.890 0.000) 3.756 2.062 ( 5.480 -1.992 0.000) 5.831 2.114 ( 9.401 0.539 0.000) 9.416 2.168 ( 2.554 3.815 -0.000) 4.590 2.253 ( -0.223 -2.978 0.000) 2.986 2.312 ( -1.605 -0.073 -0.000) 1.607 2.337 ( 2.614 -1.119 0.000) 2.843 2.360 ( 4.996 1.605 -0.000) 5.247 2.877 ( 2.655 -0.501 0.000) 2.702 2.885 ( 2.632 0.105 0.000) 2.634 3.032 ( -6.100 -0.507 -0.000) 6.121 3.044 ( -6.050 0.154 -0.000) 6.052 3.061 ( -5.219 -1.185 -0.000) 5.352 3.092 ( -4.894 0.996 -0.000) 4.995 3.896 ( 10.205 0.087 0.000) 10.206 3.899 ( 10.209 0.349 0.000) 10.215 4.809 ( -4.091 0.011 -0.000) 4.091 4.812 ( -4.328 0.180 -0.000) 4.332 4.996 ( -1.054 -0.150 -0.000) 1.065 5.002 ( -0.948 0.176 -0.000) 0.964 5.044 ( -0.875 -0.133 -0.000) 0.885 5.049 ( -0.772 0.137 -0.000) 0.784 5.489 ( -1.789 -0.237 -0.000) 1.804 5.492 ( -1.608 -0.074 -0.000) 1.610 7.632 ( -1.070 0.033 -0.000) 1.071 7.632 ( -1.209 0.029 -0.000) 1.210 8.415 ( -1.342 -0.689 0.000) 1.509 8.425 ( -1.261 -0.690 0.000) 1.438 8.471 ( 0.505 1.168 -0.000) 1.272 8.478 ( 0.331 0.675 -0.000) 0.752 8.565 ( 0.171 -3.445 0.000) 3.450 8.659 ( -0.124 1.948 -0.000) 1.952 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( -0.000 -0.000 -0.083) 0.083 0.301 ( 0.000 0.000 0.083) 0.083 0.507 ( -0.000 -0.000 -1.437) 1.437 0.507 ( 0.000 0.000 1.437) 1.437 0.895 ( -0.000 -0.000 -19.267) 19.267 0.895 ( 0.000 0.000 19.267) 19.267 1.084 ( -0.000 -0.000 -2.355) 2.355 1.084 ( 0.000 0.000 2.355) 2.355 1.697 ( -0.000 -0.000 -1.730) 1.730 1.697 ( 0.000 0.000 1.730) 1.730 1.785 ( -0.000 -0.000 -1.978) 1.978 1.785 ( 0.000 0.000 1.978) 1.978 1.794 ( -0.000 -0.000 -0.139) 0.139 1.794 ( 0.000 0.000 0.139) 0.139 2.080 ( -0.000 -0.000 -1.254) 1.254 2.080 ( 0.000 0.000 1.254) 1.254 2.168 ( -0.000 -0.000 -0.029) 0.029 2.168 ( 0.000 0.000 0.029) 0.029 2.251 ( -0.000 -0.000 -0.208) 0.208 2.251 ( 0.000 0.000 0.208) 0.208 2.349 ( -0.000 -0.000 -1.746) 1.746 2.349 ( 0.000 0.000 1.746) 1.746 2.446 ( -0.000 -0.000 -2.221) 2.221 2.446 ( 0.000 0.000 2.221) 2.221 2.857 ( -0.000 -0.000 -0.674) 0.674 2.857 ( 0.000 0.000 0.674) 0.674 2.937 ( -0.000 -0.000 -3.825) 3.825 2.937 ( 0.000 0.000 3.825) 3.825 2.940 ( -0.000 -0.000 -1.207) 1.207 2.940 ( 0.000 0.000 1.207) 1.207 4.093 ( -0.000 -0.000 -1.293) 1.293 4.093 ( 0.000 0.000 1.293) 1.293 4.714 ( -0.000 -0.000 -0.054) 0.054 4.714 ( 0.000 0.000 0.054) 0.054 4.985 ( -0.000 -0.000 -0.025) 0.025 4.985 ( 0.000 0.000 0.025) 0.025 5.027 ( -0.000 -0.000 -0.099) 0.099 5.027 ( 0.000 0.000 0.099) 0.099 5.436 ( -0.000 -0.000 -0.082) 0.082 5.436 ( 0.000 0.000 0.082) 0.082 7.612 ( -0.000 -0.000 -0.851) 0.851 7.612 ( 0.000 0.000 0.851) 0.851 8.353 ( -0.000 -0.000 -0.963) 0.963 8.353 ( 0.000 0.000 0.963) 0.963 8.471 ( -0.000 -0.000 -1.179) 1.179 8.471 ( 0.000 0.000 1.179) 1.179 8.607 ( -0.000 -0.000 -0.086) 0.086 8.607 ( 0.000 0.000 0.086) 0.086 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.113 ( -0.000 9.542 -0.000) 9.542 0.255 ( -0.000 17.427 -0.000) 17.427 0.331 ( -0.000 22.531 -0.000) 22.531 0.639 ( -0.000 7.462 -0.000) 7.462 0.712 ( -0.000 6.915 -0.000) 6.915 1.008 ( -0.000 1.421 -0.000) 1.421 1.146 ( -0.000 0.924 -0.000) 0.924 1.305 ( 0.000 -3.710 0.000) 3.710 1.686 ( -0.000 1.385 -0.000) 1.385 1.742 ( -0.000 0.447 -0.000) 0.447 1.747 ( 0.000 -3.134 0.000) 3.134 1.782 ( 0.000 -2.084 0.000) 2.084 1.840 ( -0.000 2.268 -0.000) 2.268 1.849 ( 0.000 -0.566 0.000) 0.566 1.865 ( 0.000 -2.028 0.000) 2.028 2.061 ( 0.000 -4.536 0.000) 4.536 2.148 ( 0.000 -4.477 0.000) 4.477 2.155 ( 0.000 -5.411 0.000) 5.411 2.234 ( -0.000 1.174 -0.000) 1.174 2.270 ( -0.000 3.014 -0.000) 3.014 2.293 ( -0.000 3.641 -0.000) 3.641 2.402 ( -0.000 0.768 -0.000) 0.768 2.456 ( 0.000 -1.672 0.000) 1.672 2.602 ( 0.000 -1.261 0.000) 1.261 2.840 ( 0.000 -0.251 0.000) 0.251 2.848 ( -0.000 0.132 -0.000) 0.132 2.873 ( 0.000 -0.665 0.000) 0.665 2.913 ( 0.000 -0.098 0.000) 0.098 2.980 ( -0.000 0.393 -0.000) 0.393 3.035 ( 0.000 -0.540 0.000) 0.540 4.068 ( -0.000 0.852 -0.000) 0.852 4.127 ( 0.000 -0.175 0.000) 0.175 4.714 ( -0.000 0.011 -0.000) 0.011 4.716 ( 0.000 -0.017 0.000) 0.017 4.966 ( -0.000 0.029 -0.000) 0.029 4.984 ( 0.000 -0.138 0.000) 0.138 5.025 ( -0.000 0.064 -0.000) 0.064 5.042 ( 0.000 -0.074 0.000) 0.074 5.435 ( -0.000 0.200 -0.000) 0.200 5.440 ( -0.000 0.185 -0.000) 0.185 7.597 ( 0.000 -0.032 0.000) 0.032 7.639 ( 0.000 -0.309 0.000) 0.309 8.338 ( -0.000 0.374 -0.000) 0.374 8.425 ( 0.000 -0.259 0.000) 0.259 8.476 ( -0.000 0.150 -0.000) 0.150 8.507 ( -0.000 0.939 -0.000) 0.939 8.606 ( 0.000 -0.939 0.000) 0.939 8.612 ( 0.000 -0.007 0.000) 0.007 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( -9.185 9.179 4.510) 13.746 0.426 ( -9.579 10.166 1.406) 14.039 0.742 ( -5.322 4.145 -0.976) 6.816 0.834 ( -27.616 13.236 0.690) 30.632 0.963 ( -18.373 8.834 -0.314) 20.389 1.077 ( -5.699 0.500 0.372) 5.733 1.194 ( -5.207 0.356 -0.155) 5.221 1.238 ( 2.584 -2.236 -1.001) 3.561 1.636 ( 3.903 0.670 -0.336) 3.974 1.723 ( 1.508 -1.805 -3.661) 4.352 1.753 ( 0.052 -0.637 3.062) 3.128 1.766 ( -0.998 -0.579 -2.640) 2.881 1.824 ( 0.251 -2.197 -0.867) 2.375 1.844 ( 1.517 -2.593 3.988) 4.993 1.909 ( -3.174 1.164 -0.406) 3.405 2.035 ( 4.302 -6.225 -0.831) 7.613 2.042 ( 3.645 -4.808 0.891) 6.098 2.162 ( 0.990 -1.216 0.007) 1.568 2.165 ( 6.375 3.648 -0.649) 7.374 2.198 ( 2.178 0.148 1.765) 2.808 2.283 ( 3.253 1.823 -0.109) 3.731 2.378 ( 2.833 0.519 -1.530) 3.261 2.398 ( 6.500 -0.570 1.487) 6.693 2.438 ( 8.608 2.322 -0.398) 8.925 2.897 ( 0.727 -0.062 0.055) 0.732 2.901 ( -5.427 -0.343 -0.179) 5.440 2.907 ( -5.292 0.021 0.651) 5.331 2.956 ( -6.404 -0.109 -0.186) 6.408 2.967 ( 0.951 0.480 -0.464) 1.162 3.050 ( -2.300 -0.603 -0.236) 2.390 4.025 ( 5.577 0.868 0.131) 5.646 4.065 ( 6.640 -0.132 -0.031) 6.642 4.740 ( -2.835 0.108 0.020) 2.837 4.749 ( -3.374 -0.065 -0.014) 3.375 4.973 ( -0.761 0.047 0.120) 0.772 4.990 ( -0.642 -0.097 -0.015) 0.650 5.029 ( -0.387 0.091 0.024) 0.398 5.041 ( -0.370 0.168 -0.042) 0.408 5.449 ( -1.212 0.221 0.037) 1.233 5.481 ( -2.520 -1.410 -0.274) 2.901 7.603 ( -0.766 -0.027 0.067) 0.770 7.637 ( -0.211 -0.366 -0.144) 0.447 8.379 ( -2.252 -1.113 -0.045) 2.512 8.427 ( -0.695 -1.038 -0.480) 1.338 8.481 ( -0.337 0.793 -0.081) 0.865 8.508 ( 0.713 1.296 -0.212) 1.494 8.550 ( 1.706 -2.327 0.175) 2.891 8.688 ( -2.961 -1.555 -0.779) 3.435 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -9.850 8.071 4.314) 13.445 0.664 ( -10.180 3.747 1.583) 10.963 0.860 ( -5.660 1.256 -1.199) 5.921 1.104 ( 0.516 -2.183 -2.363) 3.258 1.205 ( -5.505 1.485 -2.476) 6.217 1.291 ( -8.164 2.003 3.553) 9.126 1.407 ( -24.798 7.005 0.208) 25.769 1.447 ( -20.695 2.032 0.243) 20.796 1.569 ( 3.486 -0.256 -0.459) 3.525 1.640 ( 3.798 -1.997 -1.952) 4.714 1.735 ( 2.730 -0.573 2.046) 3.459 1.772 ( -0.029 -0.686 -3.337) 3.407 1.809 ( -0.240 -2.619 -0.224) 2.640 1.840 ( -0.964 1.526 1.807) 2.554 1.850 ( 5.982 -2.699 -0.753) 6.605 1.894 ( 7.553 -3.616 3.406) 9.040 1.994 ( -0.459 2.196 -1.987) 2.997 2.080 ( 4.395 0.808 -1.077) 4.597 2.156 ( 3.264 1.044 0.029) 3.427 2.178 ( 2.472 -0.470 0.774) 2.633 2.234 ( 3.212 1.619 -0.436) 3.623 2.279 ( -0.708 -0.685 1.455) 1.757 2.329 ( 4.541 -0.600 -0.574) 4.616 2.351 ( 2.585 0.135 0.589) 2.655 2.860 ( 2.771 0.160 0.111) 2.778 2.913 ( 2.844 -0.617 -0.515) 2.956 3.012 ( -6.298 -0.457 0.192) 6.318 3.031 ( -6.204 -0.224 0.140) 6.210 3.068 ( -5.671 0.029 -0.446) 5.689 3.099 ( -3.379 -0.274 0.283) 3.402 3.893 ( 9.833 0.590 0.073) 9.851 3.909 ( 10.676 0.059 -0.067) 10.676 4.805 ( -4.119 0.218 0.067) 4.126 4.818 ( -4.190 -0.125 -0.040) 4.192 4.993 ( -1.276 0.099 0.049) 1.281 5.004 ( -0.986 0.006 -0.018) 0.987 5.039 ( -0.649 0.117 0.074) 0.664 5.053 ( -0.876 -0.051 -0.056) 0.879 5.476 ( -1.570 0.146 0.125) 1.581 5.506 ( -1.499 -0.819 -0.265) 1.729 7.624 ( -1.501 -0.007 0.115) 1.505 7.642 ( -0.665 -0.182 -0.122) 0.700 8.403 ( -1.271 -0.514 0.032) 1.371 8.427 ( -0.537 -1.617 -0.390) 1.748 8.486 ( 0.738 0.196 -0.368) 0.848 8.506 ( 0.175 1.413 -0.214) 1.439 8.511 ( 1.179 -1.510 0.665) 2.028 8.696 ( 0.227 -0.829 -0.614) 1.056 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -9.158 4.916 2.680) 10.734 0.834 ( -7.700 -1.606 0.425) 7.877 0.937 ( -4.450 -2.269 -0.046) 4.996 1.086 ( -1.303 -1.508 -2.210) 2.976 1.273 ( -3.637 -0.240 -2.351) 4.338 1.443 ( -5.321 -0.585 3.614) 6.459 1.508 ( 3.625 2.218 0.897) 4.344 1.552 ( 2.318 0.233 -2.769) 3.619 1.611 ( 6.401 -0.325 0.819) 6.462 1.672 ( 2.250 0.507 2.165) 3.163 1.714 ( 1.937 -3.151 0.691) 3.763 1.757 ( 0.610 -0.233 -0.471) 0.805 1.781 ( -4.212 -1.182 -0.460) 4.399 1.829 ( -0.183 -1.757 0.688) 1.896 1.874 ( -2.170 2.251 -2.575) 4.050 1.909 ( -6.441 4.023 -2.100) 7.879 1.987 ( 0.890 1.049 0.097) 1.379 2.041 ( 0.414 2.324 -0.708) 2.464 2.091 ( -2.520 1.492 1.932) 3.508 2.157 ( 0.768 0.278 1.605) 1.801 2.261 ( 0.353 0.459 -0.326) 0.664 2.271 ( -0.569 -1.962 -0.263) 2.060 2.323 ( -8.162 1.159 0.489) 8.258 2.377 ( -5.571 0.547 -0.107) 5.599 2.807 ( 3.170 -0.054 -0.017) 3.170 2.846 ( 3.761 -0.783 -0.432) 3.865 3.107 ( -4.572 -0.282 0.216) 4.586 3.119 ( -4.115 -0.775 -0.291) 4.198 3.141 ( -3.281 -0.508 -0.736) 3.401 3.167 ( -3.602 0.373 1.048) 3.770 3.696 ( 12.862 0.277 -0.214) 12.867 3.701 ( 12.937 0.293 0.110) 12.941 4.877 ( -3.717 0.054 -0.140) 3.720 4.886 ( -3.577 -0.019 0.146) 3.580 5.017 ( -1.306 0.105 -0.037) 1.310 5.023 ( -1.020 0.062 -0.002) 1.021 5.053 ( -0.683 0.154 0.159) 0.718 5.067 ( -0.798 -0.173 -0.121) 0.825 5.503 ( -1.220 0.074 0.157) 1.232 5.521 ( -0.873 -0.472 -0.202) 1.012 7.653 ( -1.571 -0.009 -0.033) 1.572 7.657 ( -1.169 0.101 0.079) 1.176 8.416 ( -0.648 -0.757 -0.230) 1.022 8.423 ( -0.598 -1.271 -0.005) 1.405 8.463 ( 0.925 -0.684 -0.587) 1.292 8.488 ( 0.916 -0.667 1.144) 1.610 8.516 ( 0.364 2.114 -0.346) 2.173 8.673 ( 1.271 -0.668 -0.365) 1.482 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -6.010 -3.408 -1.605) 7.093 0.945 ( -5.844 -1.228 -0.728) 6.016 1.025 ( -5.519 -0.696 2.768) 6.213 1.109 ( -3.184 -1.743 -0.591) 3.677 1.314 ( -2.366 -0.359 -2.170) 3.230 1.423 ( 4.646 -0.813 -0.194) 4.721 1.466 ( 4.179 3.676 2.023) 5.922 1.523 ( 2.714 1.576 -0.907) 3.267 1.556 ( 4.174 2.405 1.524) 5.053 1.615 ( 1.144 -0.549 3.438) 3.665 1.682 ( 0.504 -1.237 -0.462) 1.413 1.713 ( 2.549 0.275 -3.217) 4.114 1.772 ( 2.629 -0.115 -0.249) 2.643 1.813 ( -1.077 -0.957 -0.444) 1.508 1.873 ( 2.523 -1.253 0.317) 2.835 1.933 ( -2.713 0.194 -2.045) 3.403 1.989 ( 0.195 2.008 -1.037) 2.268 2.080 ( 3.755 0.946 2.177) 4.442 2.147 ( -1.906 -1.644 -1.183) 2.782 2.176 ( -2.110 3.076 1.380) 3.978 2.272 ( -1.177 -1.205 0.364) 1.724 2.320 ( -2.897 0.596 -0.314) 2.974 2.566 ( -15.378 1.071 0.343) 15.419 2.572 ( -14.013 1.187 0.034) 14.063 2.756 ( 1.919 -0.479 -0.451) 2.028 2.779 ( 2.775 -0.501 -0.044) 2.820 3.164 ( -2.037 -0.303 -0.426) 2.103 3.168 ( -2.407 -0.489 -0.061) 2.457 3.180 ( -1.806 -0.114 -0.282) 1.831 3.222 ( -1.881 0.173 0.804) 2.052 3.461 ( 13.160 0.118 -0.260) 13.163 3.469 ( 13.084 0.149 0.091) 13.086 4.928 ( -2.103 -0.092 -0.348) 2.134 4.940 ( -2.222 0.085 0.255) 2.239 5.036 ( -0.812 0.054 -0.089) 0.819 5.038 ( -0.625 0.032 -0.025) 0.626 5.065 ( -0.424 0.161 0.164) 0.483 5.077 ( -0.470 -0.166 -0.108) 0.510 5.520 ( -0.635 0.040 0.103) 0.645 5.528 ( -0.368 -0.232 -0.112) 0.449 7.672 ( -0.762 0.076 -0.197) 0.791 7.683 ( -1.149 0.102 0.142) 1.162 8.414 ( -0.371 -1.193 -0.186) 1.263 8.428 ( -0.654 -1.042 -0.430) 1.303 8.447 ( 0.461 0.121 0.044) 0.479 8.476 ( 0.549 -0.420 1.077) 1.280 8.521 ( 0.571 2.300 -0.612) 2.448 8.646 ( 0.966 -0.732 -0.182) 1.225 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -3.144 0.264 -0.901) 3.281 1.032 ( -5.733 -1.397 -2.325) 6.343 1.073 ( 1.129 1.309 1.575) 2.338 1.163 ( -2.262 -1.363 1.898) 3.252 1.335 ( 0.295 -0.183 -0.698) 0.779 1.358 ( -0.279 -1.740 -1.777) 2.502 1.414 ( 3.492 0.408 0.485) 3.549 1.475 ( 2.189 0.236 -0.246) 2.215 1.491 ( 2.860 2.385 -1.310) 3.948 1.625 ( -0.209 0.671 -1.330) 1.504 1.667 ( -0.913 0.319 0.843) 1.283 1.699 ( -0.546 0.434 -0.049) 0.699 1.754 ( 0.049 -0.330 1.570) 1.605 1.818 ( -0.617 -0.597 -0.296) 0.908 1.858 ( -1.489 -2.509 1.848) 3.454 1.952 ( 0.597 2.279 -3.720) 4.403 1.976 ( 2.534 -0.359 1.951) 3.218 2.051 ( 0.009 -0.267 -0.461) 0.533 2.122 ( 0.591 -2.254 -3.209) 3.966 2.235 ( -0.387 3.955 0.609) 4.020 2.275 ( 0.244 -1.615 2.167) 2.714 2.346 ( -0.178 0.122 -0.650) 0.685 2.715 ( 0.689 -0.163 -0.514) 0.875 2.723 ( 1.077 0.050 -0.346) 1.132 2.753 ( 0.608 -0.349 0.189) 0.726 2.768 ( -1.019 0.308 0.679) 1.263 3.180 ( -0.241 -0.179 -0.560) 0.636 3.188 ( -0.385 -0.206 -0.262) 0.509 3.200 ( -0.261 0.420 0.030) 0.495 3.241 ( 0.197 -0.014 0.436) 0.478 3.312 ( -0.040 0.015 -0.087) 0.097 3.321 ( 0.122 -0.076 0.023) 0.146 4.946 ( -0.175 0.019 -0.249) 0.305 4.960 ( 0.115 -0.015 0.044) 0.124 5.043 ( 0.069 -0.043 -0.055) 0.098 5.044 ( 0.006 -0.001 -0.041) 0.041 5.068 ( 0.112 -0.016 -0.175) 0.208 5.082 ( -0.126 0.039 0.166) 0.212 5.526 ( 0.018 0.005 -0.059) 0.062 5.531 ( -0.179 -0.007 0.060) 0.189 7.677 ( 0.046 -0.043 -0.332) 0.338 7.694 ( 0.067 0.091 0.125) 0.169 8.414 ( -0.474 -0.728 -0.077) 0.872 8.428 ( -0.723 -1.210 -0.731) 1.588 8.447 ( 0.142 0.759 0.399) 0.869 8.472 ( 0.022 -0.463 0.867) 0.984 8.528 ( 0.296 2.524 -0.854) 2.681 8.632 ( -0.165 -0.891 0.040) 0.907 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 10.723 -0.706 -2.426) 11.016 1.038 ( 4.298 3.246 0.674) 5.428 1.080 ( 2.346 1.743 -0.518) 2.968 1.137 ( 3.279 -0.174 3.211) 4.593 1.337 ( 1.505 0.695 -2.457) 2.964 1.369 ( -2.903 -1.830 -1.409) 3.709 1.430 ( -8.745 -0.967 -1.581) 8.940 1.465 ( -3.753 -1.422 0.843) 4.101 1.540 ( -3.560 1.784 -1.493) 4.252 1.617 ( 0.718 -1.144 -1.979) 2.396 1.704 ( -3.275 -0.238 1.289) 3.528 1.735 ( -1.578 0.658 2.661) 3.163 1.769 ( -1.612 1.803 0.287) 2.435 1.827 ( -0.678 -0.753 0.913) 1.364 1.882 ( -1.815 -1.981 2.385) 3.592 1.897 ( 2.776 -0.043 -1.184) 3.018 1.969 ( 0.343 -0.089 -0.530) 0.637 2.032 ( 2.628 -1.256 -1.473) 3.264 2.073 ( 0.925 -1.237 -4.441) 4.702 2.242 ( 2.332 -1.586 1.838) 3.366 2.276 ( 0.265 3.460 0.744) 3.549 2.329 ( 1.999 0.283 -0.311) 2.043 2.522 ( 16.208 -1.639 -0.346) 16.294 2.548 ( 15.045 -0.205 0.094) 15.047 2.763 ( -2.023 0.097 -0.274) 2.044 2.796 ( -3.032 0.432 0.656) 3.132 3.164 ( 1.754 -0.109 -0.454) 1.815 3.178 ( 1.473 0.107 -0.120) 1.482 3.192 ( 1.545 0.473 -0.058) 1.617 3.217 ( 2.469 -0.137 0.100) 2.475 3.459 ( -12.942 0.017 0.042) 12.942 3.463 ( -12.790 -0.220 -0.100) 12.792 4.931 ( 1.959 0.148 -0.007) 1.965 4.936 ( 2.330 -0.150 -0.196) 2.343 5.035 ( 0.817 -0.028 -0.001) 0.817 5.036 ( 0.734 -0.089 -0.057) 0.742 5.061 ( 0.458 -0.062 -0.306) 0.554 5.081 ( 0.408 0.094 0.242) 0.483 5.519 ( 0.643 -0.000 -0.190) 0.671 5.534 ( 0.049 0.131 0.214) 0.256 7.668 ( 0.685 -0.108 -0.283) 0.749 7.683 ( 1.276 0.051 0.062) 1.278 8.416 ( -0.161 -0.341 -0.284) 0.472 8.435 ( -1.228 -0.898 -0.285) 1.548 8.454 ( 0.036 0.958 0.355) 1.022 8.474 ( -0.316 -0.619 0.605) 0.921 8.541 ( -0.196 2.611 -0.959) 2.788 8.640 ( -1.301 -1.054 0.413) 1.724 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 13.564 -1.657 -4.849) 14.500 0.893 ( 12.690 1.153 -0.789) 12.767 1.001 ( 7.565 1.150 1.326) 7.765 1.103 ( 1.816 -0.036 4.700) 5.039 1.286 ( 3.544 0.326 -2.649) 4.436 1.435 ( 8.998 -0.590 0.478) 9.030 1.475 ( -8.519 -0.220 -2.175) 8.795 1.558 ( -6.292 0.570 -2.145) 6.672 1.633 ( -4.316 -0.235 0.923) 4.420 1.649 ( -7.145 0.764 1.639) 7.370 1.738 ( 5.280 -0.864 -1.173) 5.477 1.751 ( 13.545 -1.751 -0.462) 13.665 1.774 ( -0.655 -1.199 0.652) 1.514 1.823 ( -0.540 1.554 0.295) 1.671 1.867 ( -0.549 0.314 1.878) 1.982 1.881 ( -0.599 -0.318 0.048) 0.680 1.952 ( 4.022 0.508 -1.505) 4.324 1.991 ( -8.896 -0.788 1.586) 9.070 2.055 ( -0.480 -0.575 -1.893) 2.036 2.107 ( 7.126 -1.762 -0.487) 7.357 2.278 ( 3.178 0.131 0.606) 3.238 2.309 ( -0.709 2.076 -0.398) 2.229 2.337 ( 2.374 -1.365 0.162) 2.743 2.353 ( 5.217 0.457 -0.147) 5.239 2.808 ( -2.972 0.026 -0.362) 2.994 2.863 ( -3.595 0.241 0.737) 3.678 3.111 ( 4.085 0.034 -0.335) 4.099 3.133 ( 3.902 0.113 -0.148) 3.906 3.150 ( 4.399 0.184 0.188) 4.407 3.157 ( 3.060 -0.164 -0.285) 3.078 3.689 ( -12.475 -0.127 -0.097) 12.476 3.695 ( -13.171 -0.065 0.020) 13.171 4.875 ( 3.986 -0.045 -0.142) 3.989 4.887 ( 3.382 0.023 0.072) 3.382 5.015 ( 1.313 -0.029 -0.083) 1.315 5.020 ( 0.988 -0.060 0.015) 0.990 5.050 ( 0.653 -0.031 -0.230) 0.693 5.071 ( 0.885 0.042 0.174) 0.903 5.501 ( 1.283 -0.009 -0.247) 1.307 5.532 ( 0.462 0.176 0.360) 0.612 7.654 ( 0.887 0.003 -0.012) 0.887 7.655 ( 1.622 -0.022 -0.045) 1.622 8.413 ( 0.166 -0.145 -0.350) 0.414 8.453 ( -1.349 -0.446 0.155) 1.429 8.462 ( 0.074 1.063 0.282) 1.102 8.475 ( -0.057 -0.857 0.326) 0.919 8.563 ( -0.745 2.030 -0.763) 2.293 8.663 ( -1.740 -0.859 0.965) 2.167 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 12.478 -0.000 -6.852) 14.236 0.635 ( 16.183 -0.000 -1.357) 16.240 0.858 ( 9.165 -0.000 1.722) 9.325 1.127 ( 1.508 -0.000 5.424) 5.630 1.189 ( 4.514 -0.000 -2.538) 5.178 1.224 ( 18.162 -0.000 -1.759) 18.247 1.272 ( 24.847 -0.000 -0.266) 24.849 1.421 ( 21.217 -0.000 0.865) 21.235 1.574 ( -2.639 0.000 -1.743) 3.163 1.685 ( -6.244 0.000 -0.009) 6.244 1.757 ( -0.899 0.000 1.347) 1.619 1.773 ( -7.901 0.000 0.612) 7.925 1.788 ( -1.369 0.000 -1.544) 2.064 1.856 ( -1.860 0.000 0.486) 1.923 1.865 ( 1.187 -0.000 0.734) 1.396 1.936 ( -2.557 0.000 2.949) 3.903 1.994 ( -9.025 0.000 -1.598) 9.165 2.073 ( -2.906 0.000 -1.674) 3.354 2.093 ( -4.879 0.000 0.364) 4.892 2.204 ( -11.573 0.000 1.433) 11.661 2.239 ( 0.926 -0.000 -0.254) 0.960 2.300 ( 0.782 -0.000 -1.575) 1.758 2.317 ( -0.028 0.000 -0.833) 0.833 2.346 ( -0.887 0.000 0.445) 0.992 2.859 ( -2.762 0.000 -0.203) 2.770 2.924 ( -2.757 0.000 0.655) 2.834 3.019 ( 6.091 -0.000 -0.298) 6.099 3.035 ( 7.030 -0.000 -0.515) 7.049 3.058 ( 5.844 -0.000 0.170) 5.847 3.104 ( 3.093 -0.000 0.163) 3.098 3.882 ( -9.537 0.000 -0.176) 9.538 3.908 ( -10.833 0.000 0.149) 10.834 4.801 ( 4.102 -0.000 -0.082) 4.103 4.820 ( 4.219 -0.000 0.132) 4.221 4.991 ( 1.222 -0.000 -0.150) 1.231 5.003 ( 0.909 -0.000 0.040) 0.910 5.037 ( 0.635 -0.000 -0.128) 0.647 5.054 ( 1.071 -0.000 0.077) 1.074 5.474 ( 1.670 -0.000 -0.180) 1.680 5.523 ( 0.764 -0.000 0.554) 0.944 7.624 ( 1.518 -0.000 -0.066) 1.519 7.645 ( 0.372 -0.000 0.190) 0.418 8.406 ( 0.399 -0.000 -0.106) 0.413 8.460 ( 0.978 -0.000 -0.086) 0.982 8.470 ( -0.061 0.000 0.719) 0.722 8.476 ( -1.096 0.000 0.131) 1.104 8.587 ( -1.131 0.000 -0.300) 1.170 8.693 ( -1.379 0.000 1.686) 2.178 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 13.726 -0.000 0.000) 13.726 0.629 ( 16.375 -0.000 0.000) 16.375 0.866 ( 8.937 -0.000 0.000) 8.937 1.163 ( 9.920 -0.000 0.000) 9.920 1.165 ( -4.379 0.000 -0.000) 4.379 1.217 ( 19.316 -0.000 0.000) 19.316 1.271 ( 24.148 -0.000 0.000) 24.148 1.425 ( 21.807 -0.000 0.000) 21.807 1.567 ( -3.376 0.000 -0.000) 3.376 1.685 ( -6.758 0.000 -0.000) 6.758 1.764 ( -0.377 0.000 -0.000) 0.377 1.775 ( -8.357 0.000 -0.000) 8.357 1.779 ( -1.341 0.000 -0.000) 1.341 1.858 ( -1.082 0.000 -0.000) 1.082 1.868 ( 1.720 -0.000 0.000) 1.720 1.950 ( -2.544 0.000 -0.000) 2.544 1.987 ( -9.482 0.000 -0.000) 9.482 2.065 ( -3.218 0.000 -0.000) 3.218 2.095 ( -5.385 0.000 -0.000) 5.385 2.210 ( -12.461 0.000 -0.000) 12.461 2.238 ( 1.786 -0.000 0.000) 1.786 2.293 ( 1.097 -0.000 0.000) 1.097 2.313 ( 0.453 -0.000 0.000) 0.453 2.348 ( -0.915 0.000 -0.000) 0.915 2.858 ( -2.774 0.000 -0.000) 2.774 2.926 ( -2.780 0.000 -0.000) 2.780 3.018 ( 6.102 -0.000 0.000) 6.102 3.032 ( 7.116 -0.000 0.000) 7.116 3.059 ( 5.833 -0.000 0.000) 5.833 3.104 ( 3.005 -0.000 0.000) 3.005 3.882 ( -9.510 0.000 -0.000) 9.510 3.909 ( -10.873 0.000 -0.000) 10.873 4.801 ( 4.087 -0.000 0.000) 4.087 4.820 ( 4.215 -0.000 0.000) 4.215 4.991 ( 1.256 -0.000 0.000) 1.256 5.003 ( 0.905 -0.000 0.000) 0.905 5.037 ( 0.627 -0.000 0.000) 0.627 5.054 ( 1.083 -0.000 0.000) 1.083 5.473 ( 1.661 -0.000 0.000) 1.661 5.526 ( 0.639 -0.000 0.000) 0.639 7.624 ( 1.527 -0.000 0.000) 1.527 7.646 ( 0.323 -0.000 0.000) 0.323 8.406 ( 0.323 -0.000 0.000) 0.323 8.460 ( 1.060 -0.000 0.000) 1.060 8.473 ( -0.155 0.000 -0.000) 0.155 8.477 ( -1.185 0.000 -0.000) 1.185 8.585 ( -1.207 0.000 -0.000) 1.207 8.701 ( -1.774 0.000 -0.000) 1.774 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.188 ( 0.000 5.960 13.551) 14.804 0.267 ( 0.000 16.651 2.862) 16.896 0.353 ( 0.000 20.439 5.567) 21.183 0.639 ( -0.000 7.826 -0.115) 7.826 0.702 ( -0.000 6.992 -2.438) 7.405 1.014 ( 0.000 1.391 1.434) 1.998 1.144 ( -0.000 0.974 -0.563) 1.125 1.289 ( -0.000 -3.334 -3.860) 5.100 1.665 ( -0.000 3.100 -2.850) 4.211 1.733 ( -0.000 -0.767 -1.625) 1.797 1.751 ( 0.000 -2.108 0.204) 2.117 1.781 ( 0.000 -5.599 -0.329) 5.609 1.835 ( -0.000 -1.361 -1.349) 1.917 1.839 ( -0.000 2.338 -0.357) 2.365 1.932 ( 0.000 -3.955 10.995) 11.685 2.056 ( -0.000 -4.540 -1.056) 4.661 2.147 ( 0.000 -3.929 -0.213) 3.935 2.151 ( -0.000 -4.764 -0.974) 4.863 2.243 ( 0.000 1.165 1.964) 2.284 2.274 ( 0.000 2.487 0.803) 2.613 2.293 ( -0.000 3.560 -0.043) 3.561 2.404 ( 0.000 0.789 0.522) 0.946 2.452 ( -0.000 -0.975 -0.974) 1.378 2.566 ( -0.000 2.025 -7.233) 7.511 2.839 ( -0.000 -0.306 -0.086) 0.318 2.853 ( 0.000 0.464 1.097) 1.191 2.872 ( -0.000 -0.671 -0.312) 0.740 2.914 ( 0.000 -0.104 0.229) 0.252 2.975 ( -0.000 0.359 -0.918) 0.985 3.030 ( -0.000 -0.475 -1.119) 1.216 4.069 ( 0.000 0.853 0.365) 0.927 4.128 ( 0.000 -0.103 0.000) 0.103 4.714 ( -0.000 0.012 0.001) 0.012 4.716 ( -0.000 -0.014 -0.029) 0.033 4.970 ( 0.000 -0.427 0.783) 0.892 4.984 ( -0.000 -0.141 -0.032) 0.144 5.025 ( 0.000 0.066 0.038) 0.076 5.039 ( -0.000 0.184 -0.506) 0.539 5.436 ( 0.000 0.201 0.038) 0.205 5.440 ( -0.000 0.186 -0.023) 0.188 7.597 ( 0.000 -0.023 0.117) 0.119 7.637 ( -0.000 -0.287 -0.392) 0.486 8.338 ( 0.000 0.380 0.177) 0.419 8.417 ( -0.000 0.037 -1.890) 1.891 8.467 ( -0.000 1.809 -1.256) 2.202 8.505 ( -0.000 0.950 -0.311) 0.999 8.605 ( 0.000 -0.921 -0.079) 0.924 8.609 ( -0.000 0.047 -0.506) 0.508 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -8.243 6.830 9.341) 14.207 0.451 ( -8.767 9.998 5.080) 14.234 0.727 ( -5.150 4.696 -2.587) 7.434 0.845 ( -27.053 12.401 1.706) 29.809 0.958 ( -18.112 8.776 -1.018) 20.152 1.083 ( -4.928 0.126 0.813) 4.996 1.192 ( -5.234 0.679 -0.425) 5.295 1.221 ( 1.104 -1.096 -2.930) 3.318 1.631 ( 3.496 0.201 -0.683) 3.567 1.696 ( 1.801 -2.809 -2.777) 4.341 1.739 ( -0.976 -0.646 -3.506) 3.696 1.774 ( -0.948 -0.345 1.546) 1.846 1.819 ( -0.033 -1.784 -0.435) 1.836 1.879 ( 1.349 -2.843 3.460) 4.677 1.904 ( -0.882 0.647 -0.221) 1.116 2.025 ( 3.557 -6.893 -1.480) 7.896 2.055 ( 4.074 -3.039 2.295) 5.577 2.150 ( 4.087 3.968 -1.740) 5.956 2.175 ( 3.601 -2.519 1.755) 4.732 2.217 ( 2.361 0.825 2.577) 3.591 2.281 ( 3.348 1.803 -0.285) 3.814 2.365 ( 3.808 -0.029 -1.592) 4.128 2.407 ( 7.227 0.393 0.154) 7.240 2.435 ( 5.645 1.588 0.221) 5.869 2.898 ( 1.183 -0.042 0.153) 1.193 2.901 ( -6.135 -0.533 0.207) 6.162 2.914 ( -4.803 -0.012 1.083) 4.923 2.953 ( -6.764 -0.017 -0.565) 6.787 2.960 ( 1.048 0.388 -0.994) 1.496 3.046 ( -2.578 -0.466 -0.768) 2.730 4.027 ( 5.645 0.840 0.385) 5.721 4.064 ( 6.709 -0.031 -0.167) 6.711 4.740 ( -2.861 0.118 0.063) 2.865 4.749 ( -3.349 -0.038 -0.057) 3.350 4.975 ( -0.663 -0.045 0.278) 0.720 4.990 ( -0.643 -0.096 -0.042) 0.651 5.029 ( -0.401 0.077 0.065) 0.413 5.040 ( -0.427 0.163 -0.108) 0.470 5.449 ( -1.254 0.205 0.112) 1.276 5.477 ( -2.482 -1.056 -0.653) 2.775 7.604 ( -0.760 -0.006 0.201) 0.786 7.635 ( -0.259 -0.312 -0.405) 0.573 8.378 ( -2.263 -0.978 -0.111) 2.468 8.420 ( -1.016 -0.979 -1.271) 1.899 8.480 ( -0.417 1.191 -0.049) 1.263 8.505 ( 0.751 1.232 -0.469) 1.517 8.553 ( 1.688 -2.183 0.351) 2.782 8.677 ( -2.991 -0.783 -1.669) 3.514 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -9.056 6.172 6.960) 12.983 0.684 ( -9.012 4.366 3.445) 10.589 0.846 ( -6.115 1.573 -2.251) 6.703 1.074 ( 0.444 -0.962 -5.064) 5.174 1.189 ( -5.660 0.228 -1.187) 5.787 1.318 ( -8.156 2.315 2.696) 8.897 1.410 ( -24.522 6.654 0.353) 25.411 1.451 ( -20.399 2.696 0.861) 20.594 1.566 ( 2.468 -1.410 -0.156) 2.847 1.624 ( 2.716 -1.548 -1.771) 3.593 1.741 ( -0.011 -0.748 -3.147) 3.235 1.753 ( 2.967 -1.316 1.255) 3.480 1.803 ( 0.369 -1.854 -1.208) 2.244 1.845 ( 5.442 -2.804 -0.084) 6.123 1.858 ( 0.992 1.257 1.983) 2.549 1.926 ( 5.451 -1.774 4.046) 7.016 1.975 ( 1.048 1.336 -2.252) 2.820 2.068 ( 4.096 0.843 -1.727) 4.524 2.153 ( 5.627 0.126 -0.889) 5.698 2.187 ( 1.179 0.161 1.488) 1.905 2.231 ( 1.538 1.635 -0.408) 2.282 2.293 ( -1.254 -0.446 1.651) 2.120 2.324 ( 4.057 -1.114 -0.719) 4.268 2.358 ( 4.262 0.447 0.986) 4.397 2.861 ( 2.768 0.066 0.238) 2.779 2.907 ( 2.838 -0.475 -0.895) 3.014 3.014 ( -6.321 -0.507 0.358) 6.352 3.033 ( -6.023 -0.461 0.282) 6.048 3.063 ( -5.590 -0.222 -0.756) 5.646 3.101 ( -3.796 0.129 0.378) 3.817 3.894 ( 9.930 0.509 0.138) 9.944 3.908 ( 10.639 0.111 -0.129) 10.640 4.806 ( -4.097 0.196 0.131) 4.104 4.817 ( -4.201 -0.075 -0.089) 4.203 4.993 ( -1.235 0.056 0.077) 1.239 5.004 ( -0.994 0.017 -0.031) 0.995 5.040 ( -0.688 0.081 0.133) 0.706 5.053 ( -0.850 -0.033 -0.103) 0.857 5.478 ( -1.595 0.106 0.246) 1.617 5.502 ( -1.548 -0.685 -0.467) 1.756 7.625 ( -1.457 0.013 0.217) 1.473 7.641 ( -0.746 -0.135 -0.229) 0.792 8.403 ( -1.298 -0.565 0.060) 1.417 8.422 ( -0.746 -1.543 -0.641) 1.830 8.483 ( 0.933 -0.179 -0.313) 1.000 8.504 ( 0.144 1.984 -0.368) 2.023 8.517 ( 1.017 -1.549 0.832) 2.031 8.689 ( 0.035 -0.537 -0.959) 1.099 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -8.188 2.370 3.169) 9.094 0.840 ( -5.968 -0.538 1.191) 6.110 0.936 ( -5.582 -1.612 -0.157) 5.812 1.063 ( -1.997 -0.277 -3.255) 3.829 1.256 ( -3.848 -1.441 -1.695) 4.445 1.467 ( -4.755 -0.149 1.728) 5.062 1.522 ( 3.253 1.531 2.532) 4.397 1.531 ( 2.232 -0.731 -1.916) 3.031 1.617 ( 4.461 0.823 0.666) 4.585 1.689 ( 2.462 0.693 1.869) 3.168 1.720 ( 2.429 -2.706 0.630) 3.690 1.752 ( -0.171 -0.551 -0.689) 0.899 1.778 ( -2.183 -0.380 -0.109) 2.219 1.834 ( -1.132 -2.051 0.325) 2.365 1.853 ( -0.651 2.506 -2.358) 3.502 1.890 ( -3.196 2.190 -2.391) 4.553 1.986 ( 0.185 0.481 -0.456) 0.688 2.040 ( -2.914 3.084 0.570) 4.281 2.098 ( -5.119 1.257 -0.115) 5.272 2.177 ( 3.123 0.857 3.053) 4.450 2.258 ( 0.776 0.406 -0.438) 0.979 2.268 ( -0.744 -1.594 -0.301) 1.785 2.327 ( -7.745 1.039 0.228) 7.818 2.377 ( -5.741 0.474 0.018) 5.760 2.807 ( 3.245 -0.333 -0.024) 3.262 2.842 ( 3.645 -0.496 -0.535) 3.717 3.109 ( -4.500 -0.321 0.328) 4.523 3.116 ( -4.048 -0.969 -0.255) 4.171 3.135 ( -3.537 -0.645 -0.727) 3.668 3.175 ( -3.474 0.587 0.944) 3.647 3.694 ( 12.925 0.200 -0.200) 12.928 3.702 ( 12.884 0.297 0.072) 12.888 4.876 ( -3.582 -0.053 -0.132) 3.585 4.887 ( -3.695 0.048 0.139) 3.697 5.017 ( -1.278 0.068 -0.044) 1.280 5.023 ( -1.025 0.061 -0.003) 1.027 5.054 ( -0.725 0.114 0.235) 0.770 5.066 ( -0.768 -0.141 -0.189) 0.804 5.504 ( -1.198 0.028 0.250) 1.224 5.519 ( -0.924 -0.404 -0.306) 1.054 7.653 ( -1.361 -0.022 -0.032) 1.361 7.658 ( -1.368 0.101 0.089) 1.374 8.414 ( -0.587 -1.009 -0.150) 1.177 8.422 ( -0.718 -1.232 -0.261) 1.449 8.461 ( 0.892 -0.505 -0.103) 1.030 8.497 ( 0.960 -0.278 0.878) 1.331 8.513 ( 0.344 1.706 -0.381) 1.782 8.670 ( 1.156 -0.563 -0.461) 1.366 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -5.893 -3.517 -1.109) 6.952 0.938 ( -4.696 -1.866 -0.891) 5.132 1.048 ( -6.161 -0.651 2.590) 6.715 1.104 ( -3.506 -0.969 -0.719) 3.708 1.297 ( -2.896 -1.403 -1.834) 3.704 1.423 ( 4.659 -0.663 0.218) 4.711 1.485 ( 4.389 3.816 2.077) 6.176 1.517 ( 2.021 1.090 -0.193) 2.304 1.567 ( 5.980 1.289 1.210) 6.236 1.632 ( 2.286 0.404 0.108) 2.324 1.681 ( 2.905 -0.147 -1.684) 3.361 1.692 ( 0.105 -0.512 0.217) 0.565 1.769 ( 1.342 0.094 0.095) 1.349 1.810 ( -0.471 -0.501 -0.143) 0.702 1.880 ( 0.163 -2.003 0.609) 2.100 1.913 ( -0.907 0.730 -2.496) 2.754 1.980 ( -1.461 1.251 -1.189) 2.262 2.097 ( 4.386 0.600 1.842) 4.795 2.135 ( -0.660 -3.459 -1.613) 3.874 2.191 ( -2.171 4.022 1.926) 4.960 2.275 ( -1.672 0.160 0.319) 1.710 2.317 ( -2.785 -0.080 -0.492) 2.830 2.568 ( -15.477 1.244 0.244) 15.529 2.573 ( -14.042 0.989 0.127) 14.077 2.752 ( 1.930 -0.717 -0.458) 2.109 2.779 ( 2.780 -0.220 -0.045) 2.789 3.160 ( -2.053 -0.680 -0.395) 2.198 3.168 ( -2.248 -0.506 -0.034) 2.304 3.178 ( -2.078 -0.108 -0.212) 2.092 3.228 ( -1.686 0.383 0.678) 1.857 3.459 ( 13.136 0.070 -0.227) 13.138 3.470 ( 13.085 0.137 0.057) 13.086 4.925 ( -2.125 -0.181 -0.270) 2.150 4.942 ( -2.184 0.078 0.178) 2.193 5.036 ( -0.825 0.033 -0.084) 0.830 5.038 ( -0.616 0.003 -0.026) 0.616 5.066 ( -0.344 0.081 0.188) 0.400 5.076 ( -0.544 -0.090 -0.136) 0.568 5.521 ( -0.585 0.002 0.138) 0.601 5.527 ( -0.425 -0.190 -0.147) 0.488 7.670 ( -0.754 -0.057 -0.166) 0.774 7.684 ( -1.119 0.145 0.111) 1.134 8.413 ( -0.427 -1.220 -0.071) 1.294 8.423 ( -0.557 -1.243 -0.605) 1.491 8.449 ( 0.409 0.349 0.375) 0.655 8.485 ( 0.566 -0.462 0.967) 1.211 8.516 ( 0.599 2.162 -0.766) 2.370 8.644 ( 0.882 -0.696 -0.188) 1.139 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -4.052 -0.332 -0.384) 4.084 1.014 ( -5.430 -1.292 -1.898) 5.895 1.082 ( 1.841 0.914 0.701) 2.172 1.181 ( -2.814 -0.270 2.317) 3.655 1.325 ( -1.738 -0.889 -1.653) 2.558 1.347 ( 1.924 -1.982 -0.781) 2.871 1.421 ( 4.907 -0.175 0.896) 4.991 1.472 ( 2.601 -0.027 -0.479) 2.644 1.481 ( 2.428 2.755 -1.000) 3.806 1.609 ( -0.104 0.021 -2.055) 2.058 1.665 ( -1.914 -0.418 -0.687) 2.076 1.708 ( -0.875 1.166 1.112) 1.834 1.777 ( 0.330 0.571 3.951) 4.006 1.816 ( -0.818 -0.536 -0.131) 0.986 1.871 ( -1.790 -2.980 1.213) 3.683 1.917 ( 0.568 1.835 -4.645) 5.026 1.992 ( 2.085 0.521 1.890) 2.862 2.048 ( 0.647 -0.629 -0.030) 0.903 2.096 ( 0.963 -2.953 -3.086) 4.379 2.239 ( -0.148 3.222 0.348) 3.245 2.293 ( 0.025 -0.936 2.252) 2.439 2.339 ( -0.245 0.332 -1.125) 1.199 2.711 ( 0.828 -0.365 -0.417) 0.996 2.721 ( 1.472 -0.083 -0.204) 1.488 2.754 ( 0.498 -0.267 0.129) 0.580 2.773 ( -1.475 0.559 0.498) 1.654 3.176 ( -0.336 -0.446 -0.401) 0.687 3.186 ( -0.400 -0.164 -0.206) 0.479 3.200 ( -0.285 0.296 0.010) 0.411 3.244 ( 0.460 0.169 0.309) 0.580 3.312 ( -0.195 -0.026 -0.074) 0.210 3.321 ( 0.170 -0.064 0.022) 0.183 4.944 ( -0.279 -0.089 -0.186) 0.347 4.961 ( 0.213 -0.001 0.020) 0.214 5.042 ( 0.052 -0.072 -0.040) 0.097 5.043 ( -0.022 -0.016 -0.038) 0.047 5.067 ( 0.215 -0.079 -0.120) 0.259 5.083 ( -0.190 0.098 0.113) 0.242 5.525 ( 0.082 -0.019 -0.041) 0.093 5.532 ( -0.247 0.018 0.042) 0.251 7.675 ( 0.037 -0.170 -0.239) 0.296 7.695 ( 0.085 0.123 0.071) 0.166 8.414 ( -0.461 -0.781 0.024) 0.908 8.422 ( -0.759 -1.139 -0.582) 1.488 8.451 ( 0.156 0.743 0.349) 0.836 8.479 ( 0.039 -0.658 0.724) 0.979 8.520 ( 0.326 2.503 -0.828) 2.657 8.633 ( -0.268 -0.840 0.025) 0.882 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 11.838 -1.190 -1.381) 11.977 1.042 ( 3.721 2.717 0.354) 4.621 1.077 ( 1.977 2.475 -0.350) 3.187 1.161 ( 3.061 0.568 2.406) 3.935 1.317 ( 1.175 -1.012 -2.062) 2.581 1.360 ( -1.311 -1.908 -0.639) 2.402 1.419 ( -9.225 -0.466 -1.034) 9.294 1.472 ( -5.007 -1.249 0.734) 5.213 1.529 ( -2.806 1.990 -1.074) 3.603 1.601 ( -0.052 -1.340 -1.471) 1.990 1.717 ( -3.940 -0.742 1.698) 4.354 1.753 ( -1.736 1.913 1.020) 2.777 1.770 ( 0.643 0.830 0.473) 1.152 1.834 ( -1.825 -1.305 0.577) 2.317 1.884 ( 2.186 1.527 -1.399) 3.011 1.900 ( -2.971 -2.451 1.446) 4.114 1.973 ( 1.510 -0.644 1.647) 2.326 2.019 ( 4.096 -1.351 -1.935) 4.727 2.040 ( 0.079 -1.385 -3.319) 3.597 2.253 ( 1.210 -0.864 0.816) 1.696 2.283 ( 1.520 2.487 0.866) 3.041 2.325 ( 1.808 0.687 -0.459) 1.988 2.520 ( 16.147 -1.813 -0.179) 16.250 2.549 ( 14.895 -0.030 0.022) 14.895 2.762 ( -1.905 0.018 -0.136) 1.910 2.800 ( -3.057 0.462 0.377) 3.115 3.161 ( 1.683 -0.194 -0.245) 1.712 3.178 ( 1.431 0.085 -0.082) 1.436 3.191 ( 1.504 0.333 -0.080) 1.542 3.218 ( 2.650 0.044 0.075) 2.652 3.459 ( -12.992 -0.052 0.043) 12.992 3.462 ( -12.736 -0.193 -0.079) 12.738 4.931 ( 1.768 0.050 0.020) 1.769 4.935 ( 2.478 -0.096 -0.146) 2.485 5.035 ( 0.818 -0.055 0.014) 0.820 5.035 ( 0.722 -0.092 -0.049) 0.730 5.059 ( 0.468 -0.075 -0.165) 0.502 5.082 ( 0.403 0.107 0.125) 0.435 5.518 ( 0.689 -0.012 -0.099) 0.696 5.535 ( -0.013 0.145 0.114) 0.185 7.666 ( 0.611 -0.166 -0.161) 0.653 7.683 ( 1.307 0.068 0.024) 1.309 8.414 ( -0.099 -0.435 -0.166) 0.476 8.433 ( -1.352 -0.786 -0.153) 1.572 8.456 ( 0.037 0.941 0.229) 0.969 8.479 ( -0.289 -0.775 0.390) 0.914 8.535 ( -0.213 2.574 -0.633) 2.659 8.642 ( -1.448 -0.929 0.237) 1.736 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 14.613 -1.825 -1.748) 14.830 0.889 ( 13.121 1.136 -0.274) 13.173 1.009 ( 7.244 1.254 0.485) 7.367 1.132 ( 1.350 0.257 1.973) 2.404 1.269 ( 3.204 -0.462 -1.295) 3.487 1.436 ( 10.091 0.324 0.010) 10.096 1.463 ( -8.560 -0.392 -0.647) 8.593 1.546 ( -7.883 -0.359 -0.751) 7.927 1.638 ( -4.868 -0.508 0.290) 4.903 1.662 ( -8.010 2.461 1.238) 8.471 1.726 ( 11.096 -0.360 -1.280) 11.176 1.745 ( 3.596 -3.354 -0.479) 4.941 1.780 ( 7.723 -1.415 0.261) 7.856 1.831 ( -1.402 1.462 1.095) 2.303 1.866 ( -0.540 1.652 -0.794) 1.911 1.898 ( -3.385 -1.580 2.485) 4.487 1.936 ( 4.429 0.891 -1.995) 4.939 2.000 ( -9.638 -0.980 0.593) 9.706 2.043 ( -1.376 -0.584 -0.859) 1.724 2.105 ( 9.245 -1.556 -0.092) 9.376 2.283 ( 3.002 0.024 0.536) 3.050 2.305 ( 0.008 2.293 -0.507) 2.349 2.338 ( 1.435 -1.987 0.052) 2.451 2.352 ( 5.821 0.973 0.001) 5.902 2.806 ( -2.978 0.006 -0.119) 2.980 2.867 ( -3.670 0.250 0.266) 3.688 3.109 ( 4.100 0.020 -0.118) 4.102 3.132 ( 3.994 0.095 -0.071) 3.996 3.152 ( 4.600 -0.047 0.121) 4.602 3.155 ( 2.781 0.071 -0.158) 2.787 3.688 ( -12.433 -0.152 -0.035) 12.434 3.695 ( -13.219 -0.055 0.006) 13.220 4.874 ( 3.997 -0.064 -0.050) 3.998 4.888 ( 3.322 0.038 0.023) 3.322 5.014 ( 1.337 -0.044 -0.031) 1.338 5.020 ( 0.971 -0.056 0.005) 0.973 5.049 ( 0.640 -0.036 -0.080) 0.646 5.072 ( 0.899 0.046 0.059) 0.902 5.500 ( 1.305 -0.016 -0.084) 1.308 5.534 ( 0.383 0.191 0.127) 0.447 7.654 ( 0.646 -0.040 -0.002) 0.647 7.654 ( 1.797 0.021 -0.019) 1.797 8.411 ( 0.154 -0.177 -0.119) 0.262 8.454 ( -1.467 -0.418 0.031) 1.525 8.464 ( 0.102 1.061 0.124) 1.073 8.477 ( -0.024 -0.895 0.126) 0.904 8.559 ( -0.847 1.952 -0.279) 2.146 8.668 ( -1.971 -0.708 0.355) 2.124 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 0.000 8.958 9.805) 13.281 0.299 ( 0.000 14.930 4.759) 15.670 0.427 ( 0.000 11.490 11.945) 16.574 0.639 ( -0.000 9.322 0.699) 9.348 0.674 ( -0.000 7.189 -4.266) 8.360 1.030 ( 0.000 1.302 2.323) 2.663 1.137 ( -0.000 1.093 -1.120) 1.565 1.241 ( -0.000 -2.253 -7.823) 8.141 1.653 ( -0.000 1.657 -0.311) 1.686 1.718 ( -0.000 -1.149 -1.759) 2.101 1.749 ( -0.000 -2.150 -0.530) 2.215 1.777 ( 0.000 -6.187 -0.593) 6.215 1.823 ( -0.000 -1.093 -1.546) 1.894 1.835 ( -0.000 2.358 -0.549) 2.421 2.013 ( 0.000 -6.536 7.977) 10.313 2.047 ( -0.000 -4.520 -0.911) 4.611 2.140 ( -0.000 -2.961 -1.725) 3.427 2.145 ( -0.000 -2.878 -0.410) 2.907 2.263 ( 0.000 1.878 2.763) 3.341 2.283 ( 0.000 0.840 1.379) 1.615 2.293 ( -0.000 3.331 -0.040) 3.332 2.410 ( 0.000 0.793 1.000) 1.276 2.439 ( -0.000 1.423 -2.518) 2.893 2.510 ( -0.000 2.419 -5.576) 6.078 2.840 ( 0.000 -0.450 0.188) 0.487 2.866 ( 0.000 0.723 2.068) 2.191 2.868 ( -0.000 -0.685 -0.553) 0.880 2.917 ( 0.000 -0.130 0.459) 0.477 2.967 ( -0.000 0.091 -1.097) 1.101 3.017 ( -0.000 -0.291 -2.116) 2.136 4.074 ( 0.000 0.855 0.704) 1.107 4.126 ( -0.000 0.236 -0.545) 0.593 4.714 ( 0.000 0.016 0.007) 0.017 4.716 ( -0.000 -0.006 -0.052) 0.052 4.976 ( 0.000 -0.681 0.589) 0.900 4.984 ( -0.000 -0.151 -0.055) 0.161 5.025 ( 0.000 0.072 0.074) 0.103 5.035 ( -0.000 0.356 -0.459) 0.581 5.436 ( 0.000 0.208 0.055) 0.216 5.439 ( -0.000 0.190 -0.043) 0.195 7.599 ( 0.000 -0.001 0.260) 0.260 7.633 ( -0.000 -0.230 -0.696) 0.734 8.341 ( 0.000 0.395 0.365) 0.538 8.398 ( -0.000 0.737 -2.376) 2.488 8.463 ( -0.000 2.128 0.117) 2.131 8.502 ( -0.000 0.983 -0.587) 1.145 8.605 ( -0.000 -0.871 -0.129) 0.880 8.605 ( -0.000 -0.167 -0.322) 0.363 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -8.782 6.433 6.532) 12.695 0.519 ( -7.023 7.514 11.194) 15.202 0.702 ( -4.658 5.425 -3.396) 7.916 0.859 ( -25.472 10.808 1.362) 27.703 0.948 ( -17.207 8.797 -1.207) 19.363 1.089 ( -3.674 -0.282 0.643) 3.741 1.186 ( -4.961 0.175 -1.888) 5.311 1.192 ( -2.606 2.082 -3.163) 4.597 1.627 ( 2.881 -0.842 -0.118) 3.004 1.678 ( 2.206 -3.525 -1.612) 4.460 1.711 ( -0.562 -1.075 -3.173) 3.397 1.777 ( -1.220 -0.527 -0.681) 1.493 1.820 ( -0.720 -0.346 0.744) 1.091 1.886 ( -3.211 1.129 -0.852) 3.509 1.915 ( 5.130 -4.564 2.105) 7.182 2.013 ( 3.531 -5.951 -1.376) 7.055 2.078 ( 3.885 -2.436 3.142) 5.558 2.137 ( 4.259 4.318 -1.291) 6.201 2.189 ( 3.889 -3.057 1.582) 5.194 2.238 ( 2.528 1.026 2.645) 3.800 2.279 ( 3.556 1.706 -0.338) 3.958 2.352 ( 4.775 -0.346 -1.480) 5.011 2.399 ( 6.690 0.835 -1.766) 6.970 2.444 ( 3.428 0.865 1.463) 3.826 2.900 ( 0.976 -0.162 0.384) 1.061 2.904 ( -5.943 -0.569 0.463) 5.988 2.923 ( -4.320 -0.285 0.943) 4.431 2.946 ( -3.588 0.214 -1.219) 3.795 2.954 ( -2.413 0.160 -0.293) 2.436 3.038 ( -3.111 -0.136 -1.285) 3.369 4.031 ( 5.781 0.785 0.605) 5.866 4.062 ( 6.715 0.149 -0.404) 6.729 4.741 ( -2.918 0.127 0.110) 2.923 4.748 ( -3.299 0.011 -0.113) 3.301 4.977 ( -0.554 -0.146 0.288) 0.642 4.989 ( -0.643 -0.093 -0.056) 0.652 5.030 ( -0.423 0.054 0.091) 0.435 5.039 ( -0.506 0.156 -0.135) 0.547 5.450 ( -1.340 0.170 0.186) 1.364 5.471 ( -2.339 -0.608 -0.733) 2.525 7.607 ( -0.742 0.022 0.340) 0.817 7.631 ( -0.344 -0.218 -0.595) 0.721 8.377 ( -2.251 -0.753 -0.122) 2.376 8.408 ( -1.432 -0.717 -1.486) 2.185 8.481 ( -0.348 1.475 0.181) 1.526 8.501 ( 0.732 1.187 -0.555) 1.501 8.556 ( 1.637 -2.002 0.313) 2.605 8.663 ( -2.827 -0.055 -1.553) 3.226 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -9.265 3.182 6.156) 11.569 0.725 ( -6.284 5.569 6.682) 10.731 0.824 ( -6.718 2.022 -2.894) 7.589 1.023 ( -0.255 0.616 -7.192) 7.222 1.184 ( -5.240 -0.838 -0.111) 5.308 1.332 ( -8.384 2.349 0.794) 8.743 1.412 ( -23.870 6.110 0.151) 24.640 1.462 ( -20.623 3.443 1.730) 20.980 1.569 ( 1.526 -2.345 0.897) 2.938 1.613 ( 1.960 -1.416 -1.104) 2.659 1.713 ( -1.090 -0.617 -3.439) 3.660 1.761 ( 3.094 -2.211 0.331) 3.817 1.793 ( 1.965 -1.180 -1.029) 2.512 1.847 ( 5.688 -1.846 0.652) 6.015 1.872 ( 1.668 0.823 1.533) 2.411 1.941 ( -1.168 2.278 -1.356) 2.897 1.976 ( 7.352 -2.122 3.447) 8.393 2.054 ( 3.851 0.763 -1.645) 4.256 2.142 ( 7.513 -0.356 -1.845) 7.745 2.200 ( 0.365 0.628 1.539) 1.702 2.228 ( 0.126 1.463 -0.315) 1.502 2.304 ( -2.167 -0.192 1.022) 2.403 2.318 ( 3.903 -1.637 -0.611) 4.276 2.367 ( 5.774 0.657 1.193) 5.933 2.864 ( 2.778 -0.099 0.377) 2.806 2.899 ( 2.801 -0.263 -1.036) 2.998 3.018 ( -6.331 -0.568 0.480) 6.375 3.036 ( -5.809 -0.717 0.356) 5.864 3.056 ( -5.555 -0.487 -0.894) 5.647 3.104 ( -4.239 0.561 0.307) 4.287 3.895 ( 10.080 0.384 0.176) 10.089 3.907 ( 10.558 0.199 -0.170) 10.561 4.807 ( -4.054 0.156 0.177) 4.061 4.816 ( -4.233 -0.001 -0.137) 4.235 4.994 ( -1.186 0.002 0.075) 1.189 5.004 ( -1.005 0.032 -0.032) 1.006 5.041 ( -0.749 0.027 0.156) 0.765 5.052 ( -0.807 -0.000 -0.126) 0.816 5.480 ( -1.634 0.036 0.357) 1.673 5.498 ( -1.592 -0.504 -0.571) 1.765 7.627 ( -1.385 0.034 0.297) 1.416 7.638 ( -0.866 -0.073 -0.309) 0.922 8.404 ( -1.349 -0.656 0.082) 1.502 8.417 ( -0.959 -1.425 -0.661) 1.841 8.481 ( 0.969 -0.308 -0.145) 1.027 8.500 ( 0.286 2.091 -0.395) 2.147 8.524 ( 0.820 -1.330 0.710) 1.717 8.681 ( -0.157 -0.220 -0.924) 0.963 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -6.409 -2.702 0.732) 6.994 0.862 ( -4.435 2.553 3.633) 6.276 0.935 ( -6.868 -0.906 -0.224) 6.931 1.035 ( -3.202 1.366 -3.416) 4.877 1.245 ( -3.827 -2.406 -0.852) 4.600 1.471 ( -4.655 0.290 -0.439) 4.685 1.519 ( 3.988 -1.375 -0.640) 4.267 1.550 ( 1.250 0.279 3.464) 3.693 1.620 ( 3.308 1.883 0.089) 3.807 1.701 ( 1.084 0.935 0.858) 1.669 1.725 ( 3.699 -1.198 0.743) 3.959 1.745 ( -0.698 -1.120 -0.781) 1.534 1.780 ( -0.119 -0.177 0.386) 0.441 1.824 ( -3.301 -0.092 -2.193) 3.965 1.847 ( 2.794 0.498 0.530) 2.887 1.873 ( -2.837 0.602 -1.626) 3.325 1.979 ( 0.583 0.280 -1.120) 1.293 2.050 ( -5.291 3.053 1.631) 6.323 2.092 ( -5.667 1.373 -1.204) 5.954 2.203 ( 3.033 1.096 3.023) 4.420 2.252 ( 0.734 0.322 -1.019) 1.297 2.268 ( 0.271 -1.233 0.169) 1.273 2.327 ( -7.769 1.061 -0.245) 7.845 2.378 ( -5.884 0.358 0.183) 5.897 2.807 ( 3.343 -0.688 -0.023) 3.413 2.838 ( 3.507 -0.140 -0.433) 3.537 3.112 ( -4.351 -0.415 0.391) 4.388 3.115 ( -4.051 -1.116 -0.121) 4.204 3.129 ( -3.736 -0.703 -0.684) 3.862 3.182 ( -3.411 0.734 0.644) 3.548 3.693 ( 12.964 0.135 -0.141) 12.965 3.702 ( 12.856 0.289 0.038) 12.859 4.875 ( -3.484 -0.135 -0.088) 3.488 4.888 ( -3.776 0.091 0.094) 3.778 5.016 ( -1.253 0.033 -0.034) 1.253 5.023 ( -1.029 0.057 -0.003) 1.031 5.056 ( -0.789 0.057 0.267) 0.835 5.064 ( -0.716 -0.094 -0.231) 0.758 5.507 ( -1.165 -0.039 0.325) 1.211 5.516 ( -0.986 -0.315 -0.371) 1.100 7.653 ( -1.214 -0.035 -0.022) 1.215 7.659 ( -1.502 0.101 0.068) 1.507 8.414 ( -0.587 -1.167 -0.006) 1.307 8.420 ( -0.720 -1.269 -0.387) 1.509 8.461 ( 0.791 -0.373 0.174) 0.892 8.502 ( 0.933 1.188 0.193) 1.523 8.511 ( 0.406 0.249 0.024) 0.477 8.666 ( 1.042 -0.458 -0.382) 1.201 ======================= Grid point 134 (54/171) ======================= q-point: ( 0.70 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -5.957 -3.656 -0.533) 7.010 0.932 ( -3.717 -2.338 -0.638) 4.437 1.067 ( -7.063 -0.645 1.964) 7.359 1.097 ( -3.335 -0.285 -0.855) 3.454 1.285 ( -3.050 -2.204 -0.997) 3.892 1.426 ( 4.446 -0.562 0.274) 4.489 1.493 ( 2.622 3.087 -0.025) 4.051 1.527 ( 3.992 1.427 2.220) 4.786 1.576 ( 6.678 1.141 0.802) 6.822 1.622 ( 4.335 1.010 -1.981) 4.872 1.660 ( 1.923 -1.514 -2.176) 3.275 1.703 ( 0.411 0.342 0.866) 1.018 1.781 ( -0.632 0.257 2.862) 2.942 1.810 ( 0.092 -0.315 0.055) 0.333 1.868 ( -2.759 0.323 -3.248) 4.274 1.906 ( 2.741 -1.543 0.595) 3.201 1.971 ( -3.019 0.909 -0.922) 3.285 2.108 ( 2.263 -2.055 0.711) 3.139 2.124 ( 2.122 -1.537 -0.760) 2.728 2.205 ( -1.543 3.592 1.331) 4.130 2.277 ( -2.426 1.737 0.165) 2.988 2.313 ( -2.557 -0.994 -0.423) 2.776 2.569 ( -15.535 1.412 0.083) 15.599 2.574 ( -14.095 0.795 0.144) 14.118 2.749 ( 1.925 -0.863 -0.286) 2.129 2.778 ( 2.797 -0.038 -0.028) 2.798 3.158 ( -2.106 -0.973 -0.217) 2.330 3.168 ( -2.022 -0.535 -0.029) 2.091 3.176 ( -2.319 -0.053 -0.109) 2.322 3.232 ( -1.566 0.504 0.379) 1.688 3.457 ( 13.123 0.032 -0.132) 13.123 3.470 ( 13.080 0.125 0.026) 13.081 4.923 ( -2.133 -0.246 -0.147) 2.152 4.943 ( -2.163 0.065 0.090) 2.166 5.035 ( -0.833 0.015 -0.049) 0.835 5.038 ( -0.610 -0.020 -0.016) 0.611 5.068 ( -0.228 -0.021 0.145) 0.271 5.075 ( -0.655 0.008 -0.115) 0.665 5.522 ( -0.510 -0.048 0.141) 0.531 5.526 ( -0.506 -0.137 -0.147) 0.545 7.669 ( -0.742 -0.146 -0.093) 0.762 7.684 ( -1.101 0.161 0.059) 1.114 8.413 ( -0.470 -1.275 0.107) 1.363 8.419 ( -0.503 -1.261 -0.506) 1.449 8.452 ( 0.389 0.375 0.298) 0.617 8.492 ( 0.553 -0.551 0.767) 1.095 8.509 ( 0.650 2.152 -0.726) 2.362 8.643 ( 0.813 -0.667 -0.120) 1.058 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -4.951 -1.129 -0.013) 5.079 1.002 ( -4.893 -0.753 -0.810) 5.017 1.085 ( 2.238 0.624 0.170) 2.330 1.196 ( -3.317 0.695 1.186) 3.590 1.313 ( -2.480 -1.889 -1.004) 3.275 1.344 ( 3.100 -1.968 -0.122) 3.674 1.427 ( 6.380 -0.555 0.480) 6.423 1.468 ( 2.369 -0.259 -0.364) 2.411 1.476 ( 2.036 3.213 -0.345) 3.819 1.596 ( -0.036 0.067 -0.817) 0.821 1.661 ( -3.198 -1.110 -0.261) 3.395 1.712 ( -0.649 1.115 0.116) 1.295 1.805 ( 0.099 0.588 1.224) 1.362 1.826 ( -0.091 0.422 4.119) 4.141 1.866 ( -0.432 0.715 -3.978) 4.065 1.887 ( -1.325 -2.560 -0.903) 3.020 2.004 ( 1.287 1.633 0.840) 2.243 2.051 ( 1.649 -0.787 0.680) 1.950 2.074 ( 1.091 -3.982 -1.976) 4.577 2.241 ( -0.036 2.876 0.116) 2.878 2.310 ( 0.010 -1.077 1.814) 2.110 2.328 ( -0.362 0.887 -1.408) 1.703 2.708 ( 0.901 -0.478 -0.161) 1.032 2.720 ( 1.663 -0.138 -0.062) 1.670 2.755 ( 0.461 -0.237 0.044) 0.520 2.776 ( -1.722 0.697 0.182) 1.866 3.173 ( -0.400 -0.619 -0.144) 0.751 3.185 ( -0.400 -0.128 -0.078) 0.427 3.200 ( -0.284 0.241 0.002) 0.372 3.245 ( 0.606 0.260 0.110) 0.668 3.311 ( -0.286 -0.048 -0.029) 0.292 3.321 ( 0.192 -0.062 0.009) 0.202 4.943 ( -0.334 -0.150 -0.068) 0.373 4.961 ( 0.264 0.001 0.005) 0.264 5.042 ( 0.044 -0.090 -0.014) 0.101 5.043 ( -0.041 -0.026 -0.016) 0.051 5.066 ( 0.271 -0.109 -0.042) 0.295 5.083 ( -0.221 0.127 0.040) 0.258 5.525 ( 0.115 -0.032 -0.015) 0.120 5.532 ( -0.282 0.030 0.015) 0.284 7.674 ( 0.033 -0.239 -0.087) 0.256 7.695 ( 0.094 0.133 0.022) 0.165 8.415 ( -0.344 -0.790 0.103) 0.868 8.419 ( -0.899 -1.137 -0.300) 1.480 8.453 ( 0.172 0.727 0.139) 0.760 8.483 ( 0.043 -0.869 0.327) 0.929 8.515 ( 0.351 2.608 -0.386) 2.659 8.633 ( -0.330 -0.812 0.008) 0.877 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 12.229 -1.359 0.000) 12.304 1.043 ( 3.423 2.407 -0.000) 4.185 1.075 ( 1.891 2.853 -0.000) 3.423 1.171 ( 3.124 1.030 -0.000) 3.289 1.308 ( 1.007 -1.820 0.000) 2.080 1.358 ( -0.748 -2.026 0.000) 2.159 1.415 ( -9.521 -0.202 -0.000) 9.523 1.475 ( -5.572 -1.268 -0.000) 5.715 1.524 ( -2.266 2.143 -0.000) 3.119 1.595 ( -0.374 -1.383 0.000) 1.433 1.726 ( -4.284 -1.246 0.000) 4.462 1.753 ( -3.320 2.580 -0.000) 4.204 1.775 ( 3.591 0.492 0.000) 3.625 1.836 ( -2.383 -1.646 0.000) 2.896 1.876 ( 1.485 2.196 -0.000) 2.651 1.907 ( -3.695 -2.696 0.000) 4.574 1.990 ( 1.672 1.288 -0.000) 2.111 2.000 ( 4.892 -3.480 0.000) 6.003 2.027 ( 0.182 -1.310 0.000) 1.323 2.256 ( 0.711 -0.401 0.000) 0.816 2.287 ( 2.154 1.826 -0.000) 2.824 2.323 ( 1.652 0.940 -0.000) 1.900 2.519 ( 16.130 -1.869 0.000) 16.238 2.549 ( 14.832 0.028 0.000) 14.832 2.761 ( -1.864 -0.009 -0.000) 1.864 2.802 ( -3.063 0.471 -0.000) 3.099 3.160 ( 1.655 -0.227 0.000) 1.670 3.177 ( 1.414 0.073 0.000) 1.416 3.191 ( 1.503 0.292 0.000) 1.531 3.218 ( 2.707 0.104 0.000) 2.709 3.459 ( -13.030 -0.087 -0.000) 13.031 3.462 ( -12.696 -0.174 -0.000) 12.697 4.931 ( 1.620 -0.006 0.000) 1.620 4.934 ( 2.611 -0.057 0.000) 2.611 5.035 ( 0.892 -0.065 0.000) 0.894 5.035 ( 0.644 -0.093 0.000) 0.650 5.059 ( 0.472 -0.079 0.000) 0.478 5.083 ( 0.401 0.112 -0.000) 0.416 5.518 ( 0.704 -0.016 0.000) 0.704 5.536 ( -0.035 0.150 -0.000) 0.154 7.666 ( 0.585 -0.187 0.000) 0.614 7.683 ( 1.317 0.072 0.000) 1.319 8.414 ( -0.080 -0.468 0.000) 0.475 8.432 ( -1.393 -0.750 0.000) 1.581 8.457 ( 0.035 0.932 -0.000) 0.932 8.480 ( -0.275 -0.848 0.000) 0.892 8.532 ( -0.224 2.586 -0.000) 2.595 8.643 ( -1.503 -0.887 0.000) 1.745 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 9.810 -0.000 11.231) 14.913 0.651 ( 15.634 -0.000 2.556) 15.842 0.839 ( 9.761 -0.000 -3.017) 10.217 1.074 ( 0.781 -0.000 -7.549) 7.590 1.207 ( 6.459 -0.000 1.994) 6.759 1.242 ( 13.757 -0.000 2.188) 13.929 1.276 ( 28.013 -0.000 1.056) 28.033 1.411 ( 20.510 -0.000 -1.508) 20.566 1.593 ( -1.253 0.000 2.844) 3.108 1.685 ( -5.036 0.000 0.131) 5.038 1.744 ( -0.502 0.000 -1.763) 1.833 1.765 ( -6.546 0.000 -1.351) 6.684 1.800 ( -3.587 0.000 1.374) 3.841 1.852 ( -2.772 0.000 -0.304) 2.788 1.857 ( -0.701 0.000 -1.196) 1.386 1.908 ( -2.304 0.000 -3.595) 4.270 2.012 ( -8.079 0.000 2.729) 8.527 2.087 ( -2.150 0.000 1.393) 2.562 2.090 ( -3.876 0.000 -0.267) 3.885 2.188 ( -10.098 0.000 -2.472) 10.396 2.245 ( -0.812 0.000 1.240) 1.482 2.315 ( 0.274 -0.000 1.931) 1.951 2.325 ( -1.287 0.000 0.961) 1.606 2.341 ( -0.602 0.000 -0.694) 0.919 2.862 ( -2.731 0.000 0.440) 2.766 2.916 ( -2.708 0.000 -1.139) 2.938 3.023 ( 6.070 -0.000 0.518) 6.092 3.040 ( 6.762 -0.000 0.841) 6.814 3.057 ( 5.887 -0.000 -0.210) 5.890 3.101 ( 3.374 -0.000 -0.435) 3.401 3.884 ( -9.616 0.000 0.330) 9.622 3.906 ( -10.718 0.000 -0.286) 10.722 4.802 ( 4.139 -0.000 0.171) 4.143 4.818 ( 4.232 -0.000 -0.247) 4.239 4.993 ( 1.144 -0.000 0.241) 1.169 5.002 ( 0.919 -0.000 -0.079) 0.922 5.039 ( 0.659 -0.000 0.236) 0.700 5.053 ( 1.038 -0.000 -0.152) 1.049 5.476 ( 1.693 -0.000 0.363) 1.732 5.517 ( 1.059 -0.000 -0.934) 1.413 7.625 ( 1.486 -0.000 0.144) 1.492 7.643 ( 0.511 -0.000 -0.344) 0.616 8.408 ( 0.601 -0.000 0.268) 0.658 8.461 ( 0.755 -0.000 0.164) 0.772 8.462 ( 0.273 -0.000 -1.308) 1.336 8.474 ( -0.935 0.000 -0.221) 0.961 8.590 ( -0.916 0.000 0.607) 1.099 8.675 ( -0.574 0.000 -2.569) 2.632 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 0.000 13.246 5.381) 14.297 0.353 ( 0.000 12.622 6.636) 14.260 0.515 ( 0.000 3.249 7.018) 7.733 0.634 ( -0.000 7.370 -5.286) 9.070 0.671 ( 0.000 10.718 8.922) 13.945 1.050 ( 0.000 1.138 2.555) 2.797 1.126 ( -0.000 1.191 -1.583) 1.981 1.161 ( -0.000 -0.573 -11.560) 11.574 1.656 ( 0.000 -0.329 0.998) 1.051 1.704 ( -0.000 -1.598 -1.688) 2.324 1.745 ( -0.000 -2.283 -0.356) 2.310 1.772 ( -0.000 -5.221 -0.761) 5.276 1.811 ( -0.000 -0.331 -1.334) 1.374 1.829 ( -0.000 2.188 -0.950) 2.385 2.043 ( 0.000 -4.522 0.155) 4.525 2.061 ( 0.000 -7.876 3.975) 8.822 2.125 ( -0.000 -0.110 -1.650) 1.654 2.141 ( -0.000 -1.927 -0.565) 2.008 2.282 ( 0.000 3.409 1.438) 3.700 2.292 ( -0.000 3.013 -0.002) 3.013 2.299 ( 0.000 -1.176 2.855) 3.088 2.412 ( -0.000 3.292 -3.657) 4.921 2.420 ( 0.000 0.659 1.358) 1.510 2.477 ( -0.000 -0.120 -2.726) 2.729 2.842 ( 0.000 -0.569 0.401) 0.696 2.863 ( -0.000 -0.696 -0.689) 0.979 2.886 ( 0.000 0.726 2.839) 2.930 2.921 ( 0.000 -0.186 0.690) 0.715 2.957 ( -0.000 -0.078 -1.182) 1.185 2.996 ( -0.000 -0.015 -2.883) 2.883 4.081 ( 0.000 0.855 0.991) 1.309 4.119 ( -0.000 0.546 -0.990) 1.131 4.714 ( 0.000 0.020 0.018) 0.027 4.715 ( -0.000 0.004 -0.063) 0.063 4.979 ( 0.000 -0.572 0.308) 0.650 4.983 ( -0.000 -0.175 -0.068) 0.187 5.026 ( 0.000 0.086 0.106) 0.136 5.032 ( -0.000 0.309 -0.317) 0.442 5.436 ( 0.000 0.213 0.067) 0.223 5.439 ( -0.000 0.196 -0.060) 0.205 7.602 ( 0.000 0.019 0.440) 0.440 7.626 ( -0.000 -0.151 -0.872) 0.885 8.344 ( 0.000 0.418 0.573) 0.709 8.381 ( -0.000 0.759 -1.849) 1.999 8.466 ( 0.000 1.765 0.708) 1.902 8.496 ( -0.000 1.043 -0.799) 1.314 8.603 ( 0.000 -0.614 -0.154) 0.633 8.603 ( 0.000 -0.555 -0.161) 0.578 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -8.920 6.892 5.154) 12.395 0.610 ( -8.111 4.435 8.375) 12.474 0.681 ( -3.429 6.484 0.272) 7.340 0.856 ( -20.659 8.207 -2.692) 22.392 0.946 ( -16.211 8.727 1.335) 18.459 1.090 ( -3.534 0.669 -0.886) 3.704 1.153 ( -6.345 2.601 -3.976) 7.927 1.184 ( -5.887 2.218 -0.610) 6.320 1.630 ( 2.342 -1.825 0.987) 3.129 1.668 ( 2.496 -3.885 -0.890) 4.703 1.687 ( -0.088 -1.407 -2.857) 3.186 1.767 ( -0.751 -0.889 -1.266) 1.719 1.829 ( -1.649 1.149 1.313) 2.401 1.877 ( -3.074 1.603 -1.282) 3.696 1.928 ( 5.476 -6.135 1.053) 8.291 2.003 ( 3.952 -5.032 -0.846) 6.454 2.103 ( 3.415 -2.032 2.594) 4.746 2.129 ( 4.121 4.748 -0.775) 6.334 2.200 ( 4.253 -3.252 0.927) 5.433 2.259 ( 2.406 1.294 2.467) 3.681 2.276 ( 4.173 1.534 -0.200) 4.451 2.339 ( 6.590 -0.687 -1.697) 6.840 2.384 ( 3.955 0.317 -1.523) 4.250 2.455 ( 2.891 0.901 1.152) 3.240 2.904 ( 0.906 -0.273 0.638) 1.141 2.909 ( -5.883 -0.567 0.561) 5.937 2.927 ( -3.893 -0.599 -0.043) 3.939 2.936 ( -1.577 0.176 -1.279) 2.037 2.956 ( -4.363 0.006 0.845) 4.444 3.026 ( -3.819 0.402 -1.486) 4.117 4.037 ( 5.980 0.696 0.749) 6.067 4.057 ( 6.596 0.359 -0.628) 6.636 4.742 ( -3.009 0.124 0.148) 3.015 4.747 ( -3.218 0.068 -0.157) 3.223 4.980 ( -0.488 -0.205 0.201) 0.566 4.989 ( -0.644 -0.090 -0.051) 0.653 5.031 ( -0.442 0.029 0.086) 0.452 5.038 ( -0.573 0.150 -0.117) 0.603 5.452 ( -1.476 0.104 0.248) 1.500 5.465 ( -2.104 -0.243 -0.617) 2.206 7.610 ( -0.705 0.036 0.477) 0.852 7.626 ( -0.448 -0.108 -0.686) 0.826 8.376 ( -2.167 -0.504 -0.076) 2.226 8.397 ( -1.734 -0.465 -1.104) 2.108 8.483 ( -0.136 1.506 0.388) 1.561 8.496 ( 0.607 1.218 -0.584) 1.481 8.558 ( 1.569 -1.852 0.198) 2.435 8.652 ( -2.556 0.309 -0.988) 2.758 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -9.236 1.908 4.074) 10.274 0.781 ( -5.828 2.854 3.088) 7.187 0.810 ( -5.156 4.385 2.953) 7.384 0.958 ( -1.465 2.349 -8.487) 8.927 1.185 ( -4.840 -1.459 0.181) 5.058 1.334 ( -8.371 2.184 -0.107) 8.652 1.412 ( -23.326 5.822 -0.049) 24.042 1.475 ( -21.316 3.626 1.327) 21.663 1.580 ( 1.044 -2.453 1.507) 3.063 1.607 ( 1.581 -1.598 -0.359) 2.277 1.687 ( -1.655 -0.649 -2.714) 3.244 1.759 ( 0.979 -1.885 -0.630) 2.215 1.788 ( 5.128 -1.462 -0.195) 5.336 1.854 ( 5.828 -1.048 0.799) 5.975 1.882 ( 1.893 0.876 0.920) 2.279 1.925 ( -1.182 1.855 -1.704) 2.782 2.008 ( 7.034 -1.298 3.488) 7.958 2.042 ( 3.738 0.253 -1.061) 3.894 2.125 ( 8.599 -0.415 -1.963) 8.830 2.211 ( 0.540 1.386 1.092) 1.845 2.225 ( -1.225 0.689 -0.321) 1.442 2.309 ( -2.640 0.071 0.391) 2.670 2.314 ( 3.919 -2.031 -0.346) 4.427 2.375 ( 6.554 0.742 0.833) 6.648 2.867 ( 2.822 -0.349 0.418) 2.875 2.891 ( 2.726 0.015 -0.828) 2.849 3.021 ( -6.313 -0.612 0.434) 6.358 3.039 ( -5.725 -0.834 0.359) 5.797 3.049 ( -5.472 -0.765 -0.807) 5.584 3.106 ( -4.576 0.890 0.161) 4.665 3.897 ( 10.254 0.238 0.149) 10.258 3.906 ( 10.437 0.316 -0.146) 10.442 4.809 ( -3.979 0.093 0.163) 3.984 4.815 ( -4.301 0.089 -0.139) 4.304 4.994 ( -1.148 -0.041 0.046) 1.150 5.003 ( -1.016 0.047 -0.020) 1.017 5.042 ( -0.818 -0.033 0.119) 0.827 5.051 ( -0.751 0.043 -0.099) 0.758 5.483 ( -1.691 -0.073 0.424) 1.745 5.493 ( -1.598 -0.311 -0.554) 1.719 7.630 ( -1.285 0.042 0.348) 1.332 7.636 ( -1.004 -0.013 -0.356) 1.065 8.404 ( -1.435 -0.784 0.093) 1.638 8.412 ( -1.066 -1.276 -0.447) 1.721 8.481 ( 0.905 -0.329 -0.028) 0.963 8.498 ( 0.456 2.125 -0.267) 2.189 8.528 ( 0.688 -1.184 0.409) 1.429 8.675 ( -0.281 0.003 -0.557) 0.624 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -5.185 -3.201 0.221) 6.098 0.887 ( -2.796 1.081 1.929) 3.565 0.933 ( -7.763 -0.435 -0.112) 7.776 1.012 ( -4.680 3.071 -1.764) 5.869 1.241 ( -3.762 -2.928 -0.242) 4.773 1.466 ( -4.768 0.268 -0.424) 4.794 1.517 ( 4.396 -1.817 -0.034) 4.757 1.573 ( 0.153 -0.502 1.685) 1.765 1.619 ( 3.693 2.525 -0.221) 4.479 1.703 ( -0.500 1.789 -0.115) 1.861 1.733 ( 5.639 0.163 0.865) 5.707 1.741 ( -0.236 -1.930 -0.284) 1.964 1.780 ( -1.822 -0.002 -0.331) 1.852 1.812 ( -1.628 -0.233 -0.655) 1.770 1.852 ( 5.855 0.612 0.421) 5.902 1.863 ( -5.572 -0.702 -0.699) 5.659 1.971 ( 0.432 0.318 -0.560) 0.776 2.065 ( -5.861 2.208 1.862) 6.534 2.080 ( -5.794 2.166 -1.686) 6.411 2.225 ( 1.981 0.783 2.333) 3.159 2.241 ( 1.068 0.663 -1.658) 2.080 2.270 ( 1.610 -1.156 0.235) 1.996 2.324 ( -8.275 1.159 -0.239) 8.360 2.379 ( -5.923 0.271 0.112) 5.930 2.807 ( 3.419 -0.957 -0.010) 3.550 2.835 ( 3.406 0.128 -0.165) 3.413 3.114 ( -3.787 -1.270 0.003) 3.994 3.115 ( -4.531 -0.387 0.289) 4.557 3.124 ( -3.843 -0.743 -0.432) 3.937 3.185 ( -3.383 0.808 0.228) 3.486 3.692 ( 12.983 0.097 -0.051) 12.983 3.702 ( 12.843 0.281 0.012) 12.846 4.875 ( -3.433 -0.179 -0.031) 3.437 4.889 ( -3.817 0.111 0.033) 3.819 5.016 ( -1.238 0.013 -0.013) 1.238 5.023 ( -1.031 0.054 -0.001) 1.033 5.058 ( -0.901 -0.010 0.185) 0.920 5.063 ( -0.609 -0.032 -0.172) 0.634 5.509 ( -1.126 -0.125 0.373) 1.193 5.513 ( -1.044 -0.216 -0.391) 1.135 7.652 ( -1.142 -0.042 -0.008) 1.143 7.659 ( -1.567 0.100 0.025) 1.571 8.414 ( -0.616 -1.252 0.159) 1.405 8.417 ( -0.679 -1.289 -0.317) 1.491 8.463 ( 0.711 -0.333 0.115) 0.794 8.501 ( 0.781 2.301 -0.096) 2.432 8.513 ( 0.587 -0.835 0.141) 1.030 8.664 ( 0.971 -0.394 -0.149) 1.059 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 -0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -6.026 -3.722 0.000) 7.083 0.929 ( -3.317 -2.498 0.000) 4.152 1.076 ( -8.608 -0.886 -0.000) 8.653 1.092 ( -2.063 0.217 -0.000) 2.075 1.281 ( -3.067 -2.503 0.000) 3.958 1.427 ( 4.341 -0.537 0.000) 4.374 1.492 ( 1.870 2.624 -0.000) 3.222 1.539 ( 5.296 1.667 -0.000) 5.552 1.579 ( 6.243 1.656 0.000) 6.459 1.611 ( 5.361 0.966 0.000) 5.447 1.651 ( 1.466 -2.213 0.000) 2.654 1.705 ( 0.412 0.537 -0.000) 0.677 1.800 ( -1.358 0.180 -0.000) 1.370 1.810 ( 0.319 -0.229 0.000) 0.393 1.848 ( -2.571 1.167 -0.000) 2.824 1.910 ( 3.239 -2.246 0.000) 3.942 1.967 ( -3.821 0.894 -0.000) 3.924 2.110 ( -0.796 -5.440 0.000) 5.498 2.122 ( 5.327 1.613 -0.000) 5.566 2.211 ( -1.156 3.290 -0.000) 3.487 2.277 ( -2.897 2.592 -0.000) 3.887 2.311 ( -2.390 -1.530 0.000) 2.838 2.570 ( -15.552 1.452 -0.000) 15.619 2.575 ( -14.121 0.745 -0.000) 14.141 2.748 ( 1.921 -0.909 0.000) 2.125 2.778 ( 2.807 0.023 0.000) 2.807 3.157 ( -2.128 -1.084 0.000) 2.388 3.168 ( -1.921 -0.543 0.000) 1.997 3.176 ( -2.417 -0.029 -0.000) 2.418 3.234 ( -1.525 0.543 -0.000) 1.619 3.457 ( 13.118 0.018 0.000) 13.118 3.470 ( 13.078 0.120 0.000) 13.078 4.923 ( -2.135 -0.270 -0.000) 2.152 4.943 ( -2.156 0.059 -0.000) 2.157 5.035 ( -0.836 0.008 -0.000) 0.836 5.038 ( -0.608 -0.028 -0.000) 0.609 5.068 ( -0.148 -0.084 0.000) 0.170 5.074 ( -0.733 0.069 -0.000) 0.737 5.523 ( -0.431 -0.089 -0.000) 0.440 5.525 ( -0.588 -0.094 -0.000) 0.595 7.669 ( -0.736 -0.178 -0.000) 0.758 7.685 ( -1.095 0.165 -0.000) 1.107 8.415 ( -0.553 -1.496 0.000) 1.595 8.415 ( -0.421 -1.061 0.000) 1.142 8.454 ( 0.388 0.370 -0.000) 0.536 8.496 ( 0.496 -0.966 0.000) 1.086 8.505 ( 0.721 2.537 -0.000) 2.638 8.643 ( 0.786 -0.656 0.000) 1.024 ======================= Grid point 150 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 11.753 -1.369 6.996) 13.746 0.901 ( 11.855 1.192 1.196) 11.975 0.988 ( 8.156 0.981 -1.856) 8.422 1.058 ( 2.809 -0.294 -6.180) 6.795 1.309 ( 4.056 1.367 2.756) 5.090 1.428 ( 7.299 -1.527 -1.154) 7.546 1.498 ( -7.990 -0.215 3.565) 8.752 1.580 ( -4.286 1.920 2.924) 5.532 1.622 ( -4.892 0.948 -1.605) 5.235 1.640 ( -6.402 -1.723 -0.312) 6.637 1.732 ( 6.900 -1.032 -3.707) 7.900 1.745 ( 3.744 -2.006 -0.272) 4.256 1.785 ( 5.338 0.216 2.423) 5.866 1.823 ( -0.782 1.983 -0.518) 2.194 1.852 ( 0.450 -1.672 -0.415) 1.781 1.888 ( -0.290 0.882 1.150) 1.478 1.958 ( 6.949 0.130 -0.159) 6.953 1.975 ( -9.205 -0.695 -2.223) 9.495 2.071 ( 1.211 0.000 1.828) 2.193 2.113 ( 3.840 -2.323 1.129) 4.628 2.275 ( 3.252 0.031 -0.068) 3.253 2.309 ( -1.146 1.526 -0.371) 1.944 2.335 ( 3.310 0.245 -0.308) 3.333 2.355 ( 4.222 -0.499 0.445) 4.274 2.812 ( -2.974 0.067 0.614) 3.037 2.856 ( -3.468 0.221 -1.061) 3.633 3.114 ( 4.066 0.061 0.501) 4.097 3.134 ( 3.800 0.080 0.028) 3.801 3.149 ( 4.280 0.466 -0.106) 4.307 3.160 ( 3.258 -0.396 0.277) 3.294 3.690 ( -12.557 -0.077 0.134) 12.558 3.695 ( -13.078 -0.088 -0.039) 13.078 4.877 ( 3.954 -0.008 0.210) 3.960 4.886 ( 3.490 -0.010 -0.122) 3.493 5.015 ( 1.270 -0.002 0.109) 1.275 5.020 ( 1.020 -0.071 -0.028) 1.023 5.052 ( 0.678 -0.021 0.350) 0.763 5.069 ( 0.858 0.035 -0.280) 0.904 5.504 ( 1.238 0.005 0.399) 1.300 5.528 ( 0.599 0.151 -0.537) 0.819 7.654 ( 1.108 0.044 0.019) 1.109 7.655 ( 1.507 -0.064 0.052) 1.509 8.417 ( 0.172 -0.075 0.561) 0.591 8.451 ( -0.935 -0.346 -0.467) 1.101 8.460 ( -0.136 0.863 -0.189) 0.894 8.472 ( -0.131 -0.769 -0.395) 0.875 8.571 ( -0.598 2.248 1.059) 2.556 8.653 ( -1.386 -1.181 -1.312) 2.245 ======================= Grid point 151 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 7.092 -0.000 13.184) 14.971 0.676 ( 14.803 -0.000 3.481) 15.207 0.810 ( 10.598 -0.000 -3.828) 11.268 1.004 ( 0.928 -0.000 -9.656) 9.700 1.222 ( 7.915 -0.000 1.715) 8.099 1.254 ( 9.926 -0.000 0.518) 9.939 1.293 ( 29.983 -0.000 3.016) 30.134 1.397 ( 20.931 -0.000 -2.110) 21.037 1.619 ( -0.114 0.000 3.320) 3.322 1.688 ( -3.716 0.000 0.561) 3.759 1.727 ( 0.364 -0.000 -2.449) 2.476 1.751 ( -4.680 0.000 -2.079) 5.121 1.810 ( -7.491 0.000 1.016) 7.560 1.846 ( -4.434 0.000 -1.451) 4.665 1.852 ( -1.969 0.000 0.118) 1.972 1.882 ( -1.136 0.000 -2.650) 2.884 2.037 ( -6.873 0.000 3.268) 7.610 2.090 ( -3.468 0.000 0.340) 3.484 2.094 ( -1.230 0.000 0.307) 1.268 2.165 ( -9.544 0.000 -2.984) 10.000 2.258 ( -1.824 0.000 2.037) 2.734 2.326 ( -2.407 0.000 -1.026) 2.616 2.330 ( -0.214 0.000 1.610) 1.624 2.340 ( -0.356 0.000 0.603) 0.700 2.866 ( -2.690 0.000 0.721) 2.785 2.906 ( -2.663 0.000 -1.388) 3.003 3.027 ( 6.053 -0.000 0.646) 6.087 3.046 ( 6.268 -0.000 0.219) 6.272 3.057 ( 6.009 -0.000 0.588) 6.038 3.096 ( 3.850 -0.000 -0.806) 3.933 3.888 ( -9.745 0.000 0.443) 9.755 3.903 ( -10.545 0.000 -0.400) 10.553 4.804 ( 4.183 -0.000 0.262) 4.191 4.816 ( 4.245 -0.000 -0.332) 4.258 4.995 ( 1.064 -0.000 0.262) 1.095 5.001 ( 0.933 -0.000 -0.117) 0.940 5.041 ( 0.702 -0.000 0.308) 0.766 5.051 ( 0.984 -0.000 -0.223) 1.009 5.480 ( 1.721 -0.000 0.551) 1.807 5.509 ( 1.369 -0.000 -1.084) 1.747 7.627 ( 1.418 -0.000 0.235) 1.438 7.639 ( 0.709 -0.000 -0.435) 0.832 8.411 ( 0.860 -0.000 0.522) 1.006 8.450 ( 0.720 -0.000 -1.595) 1.750 8.463 ( 0.448 -0.000 0.230) 0.503 8.472 ( -0.737 0.000 -0.286) 0.790 8.597 ( -0.607 0.000 0.932) 1.113 8.654 ( 0.022 -0.000 -2.595) 2.595 ======================= Grid point 153 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 0.000 12.256 4.524) 13.064 0.397 ( 0.000 13.246 3.891) 13.805 0.539 ( 0.000 3.892 0.870) 3.988 0.590 ( -0.000 7.195 -5.259) 8.913 0.782 ( 0.000 6.917 16.469) 17.863 1.048 ( -0.000 0.652 -12.555) 12.572 1.077 ( 0.000 1.832 0.340) 1.864 1.111 ( -0.000 1.248 -1.971) 2.333 1.667 ( 0.000 -1.682 1.391) 2.183 1.691 ( -0.000 -2.043 -1.576) 2.580 1.745 ( 0.000 -2.581 0.496) 2.628 1.764 ( -0.000 -4.104 -1.232) 4.285 1.805 ( -0.000 0.677 -0.082) 0.682 1.819 ( -0.000 1.892 -1.318) 2.305 2.050 ( 0.000 -4.786 1.341) 4.970 2.076 ( 0.000 -8.245 -0.444) 8.257 2.119 ( 0.000 1.714 0.497) 1.784 2.135 ( -0.000 -1.087 -0.794) 1.346 2.289 ( 0.000 2.808 0.535) 2.858 2.292 ( -0.000 2.716 -0.014) 2.716 2.326 ( 0.000 -0.304 3.405) 3.419 2.382 ( -0.000 2.432 -3.579) 4.327 2.432 ( 0.000 0.309 1.556) 1.586 2.459 ( -0.000 -0.622 -1.844) 1.946 2.846 ( 0.000 -0.638 0.561) 0.849 2.857 ( -0.000 -0.693 -0.724) 1.003 2.911 ( 0.000 0.507 3.256) 3.295 2.928 ( 0.000 -0.293 0.870) 0.918 2.948 ( -0.000 -0.041 -1.117) 1.118 2.970 ( -0.000 0.330 -3.313) 3.330 4.090 ( 0.000 0.846 1.196) 1.465 4.110 ( -0.000 0.725 -1.228) 1.426 4.714 ( 0.000 0.022 0.034) 0.040 4.715 ( -0.000 0.014 -0.062) 0.063 4.981 ( 0.000 -0.414 0.157) 0.443 4.983 ( -0.000 -0.219 -0.076) 0.231 5.027 ( 0.000 0.110 0.137) 0.176 5.030 ( -0.000 0.221 -0.224) 0.315 5.437 ( 0.000 0.213 0.075) 0.225 5.438 ( -0.000 0.202 -0.071) 0.214 7.606 ( 0.000 0.021 0.637) 0.637 7.619 ( -0.000 -0.070 -0.903) 0.906 8.350 ( 0.000 0.451 0.807) 0.924 8.368 ( -0.000 0.610 -1.405) 1.532 8.473 ( 0.000 1.473 0.920) 1.737 8.489 ( -0.000 1.135 -0.931) 1.468 8.602 ( -0.000 -0.509 -0.079) 0.515 8.603 ( 0.000 -0.709 -0.092) 0.715 ======================= Grid point 154 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -9.216 6.777 2.888) 11.799 0.621 ( -6.449 5.024 -1.721) 8.354 0.737 ( -7.482 5.239 9.521) 13.194 0.815 ( -13.884 6.497 -6.956) 16.833 0.964 ( -13.355 6.738 2.070) 15.101 1.073 ( -9.324 5.635 -2.254) 11.125 1.133 ( -6.317 1.659 -0.823) 6.583 1.180 ( -6.470 2.397 -0.275) 6.905 1.642 ( 2.080 -2.475 1.654) 3.632 1.663 ( 2.631 -4.036 -0.297) 4.827 1.665 ( 0.158 -1.436 -2.237) 2.663 1.760 ( -0.458 -1.013 -0.539) 1.235 1.839 ( -1.993 2.145 0.920) 3.068 1.867 ( -3.052 1.343 -0.901) 3.454 1.934 ( 5.385 -6.691 0.290) 8.593 1.999 ( 4.386 -4.552 -0.263) 6.327 2.118 ( 2.978 -1.750 0.987) 3.592 2.124 ( 3.897 5.032 -0.262) 6.370 2.205 ( 4.495 -3.333 0.286) 5.603 2.273 ( 0.761 1.616 0.294) 1.810 2.279 ( 5.858 1.781 1.110) 6.223 2.326 ( 8.423 -1.393 -1.261) 8.630 2.376 ( 1.954 -0.150 -0.515) 2.026 2.461 ( 2.660 1.004 0.417) 2.873 2.910 ( 0.526 -0.360 0.651) 0.911 2.912 ( -5.159 -0.604 0.248) 5.200 2.925 ( -2.706 -0.455 -0.286) 2.759 2.927 ( -2.777 -0.000 -0.786) 2.886 2.964 ( -4.086 -0.512 0.707) 4.179 3.016 ( -4.524 1.037 -0.816) 4.713 4.043 ( 6.238 0.542 0.654) 6.295 4.052 ( 6.367 0.584 -0.615) 6.423 4.743 ( -3.145 0.097 0.131) 3.150 4.746 ( -3.088 0.126 -0.135) 3.094 4.981 ( -0.460 -0.227 0.072) 0.518 4.989 ( -0.646 -0.088 -0.021) 0.652 5.031 ( -0.452 0.010 0.038) 0.454 5.038 ( -0.610 0.150 -0.049) 0.630 5.454 ( -1.653 -0.011 0.196) 1.665 5.461 ( -1.853 0.016 -0.322) 1.881 7.614 ( -0.641 0.002 0.560) 0.851 7.620 ( -0.552 0.003 -0.640) 0.845 8.376 ( -2.035 -0.315 -0.017) 2.059 8.391 ( -1.926 -0.375 -0.405) 2.003 8.487 ( 0.133 1.388 0.512) 1.485 8.491 ( 0.393 1.337 -0.572) 1.506 8.559 ( 1.521 -1.767 0.067) 2.332 8.647 ( -2.372 0.431 -0.332) 2.434 ======================= Grid point 155 (67/171) ======================= q-point: (-0.30 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -8.668 1.709 -0.000) 8.835 0.775 ( -8.201 1.872 -0.000) 8.412 0.860 ( -0.385 3.564 -0.000) 3.585 0.900 ( -4.131 4.383 -0.000) 6.023 1.186 ( -4.686 -1.663 0.000) 4.973 1.333 ( -8.292 2.080 -0.000) 8.549 1.412 ( -23.163 5.766 -0.000) 23.869 1.481 ( -21.596 3.523 -0.000) 21.881 1.587 ( 0.774 -2.034 0.000) 2.176 1.606 ( 1.625 -2.035 0.000) 2.604 1.674 ( -1.994 -0.588 0.000) 2.078 1.755 ( 0.250 -1.564 0.000) 1.584 1.788 ( 6.271 -1.749 0.000) 6.510 1.857 ( 6.079 -0.770 0.000) 6.128 1.886 ( 1.776 1.121 -0.000) 2.101 1.918 ( -1.087 1.409 -0.000) 1.780 2.024 ( 6.731 0.276 0.000) 6.737 2.037 ( 3.596 -1.203 0.000) 3.792 2.116 ( 9.096 -0.344 0.000) 9.103 2.217 ( 1.844 2.827 -0.000) 3.375 2.223 ( -2.901 -0.794 0.000) 3.008 2.311 ( -2.742 0.187 -0.000) 2.749 2.313 ( 3.952 -2.176 0.000) 4.511 2.379 ( 6.751 0.762 0.000) 6.794 2.869 ( 2.871 -0.554 0.000) 2.924 2.887 ( 2.663 0.228 0.000) 2.672 3.024 ( -6.294 -0.628 -0.000) 6.325 3.041 ( -6.089 -0.584 -0.000) 6.117 3.044 ( -5.056 -1.162 -0.000) 5.188 3.107 ( -4.704 1.015 -0.000) 4.812 3.897 ( 10.352 0.153 0.000) 10.353 3.905 ( 10.358 0.391 0.000) 10.365 4.810 ( -3.911 0.043 -0.000) 3.911 4.814 ( -4.367 0.149 -0.000) 4.370 4.995 ( -1.134 -0.058 -0.000) 1.135 5.003 ( -1.020 0.053 -0.000) 1.021 5.043 ( -0.856 -0.064 -0.000) 0.858 5.050 ( -0.718 0.068 -0.000) 0.721 5.486 ( -1.781 -0.204 -0.000) 1.793 5.490 ( -1.529 -0.148 -0.000) 1.537 7.633 ( -1.300 -0.011 -0.000) 1.300 7.633 ( -1.004 0.066 -0.000) 1.006 8.405 ( -1.520 -0.875 0.000) 1.754 8.410 ( -1.051 -1.177 0.000) 1.578 8.481 ( 0.857 -0.331 0.000) 0.918 8.496 ( 0.538 2.138 -0.000) 2.205 8.530 ( 0.642 -1.134 0.000) 1.303 8.673 ( -0.321 0.082 -0.000) 0.331 ======================= Grid point 161 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 9.065 0.044 2.951) 9.533 1.031 ( 4.692 3.486 -1.035) 5.936 1.084 ( 2.872 1.128 0.304) 3.100 1.111 ( 4.280 -0.745 -2.713) 5.122 1.354 ( 1.471 2.317 1.654) 3.205 1.384 ( -4.667 -1.854 2.248) 5.502 1.441 ( -8.926 -0.920 0.401) 8.982 1.461 ( -1.738 -2.355 0.362) 2.949 1.552 ( -3.855 1.874 1.282) 4.474 1.628 ( 0.920 -0.478 0.448) 1.129 1.702 ( -2.804 -0.091 1.005) 2.980 1.716 ( -2.430 -0.107 -1.793) 3.022 1.762 ( -1.161 1.811 -1.455) 2.597 1.818 ( -0.650 -0.565 -1.511) 1.739 1.861 ( -0.677 -1.098 -2.165) 2.520 1.906 ( 2.207 -1.710 0.857) 2.920 1.979 ( 0.301 1.273 1.510) 1.998 2.044 ( 1.866 -1.453 1.306) 2.701 2.109 ( 1.103 -1.087 4.181) 4.459 2.224 ( 3.054 -1.770 -2.503) 4.327 2.271 ( -0.466 3.777 -0.444) 3.832 2.330 ( 2.096 -0.074 0.021) 2.097 2.526 ( 16.333 -1.344 0.458) 16.395 2.547 ( 15.184 -0.500 -0.207) 15.193 2.766 ( -2.207 0.224 0.406) 2.255 2.790 ( -2.965 0.371 -0.778) 3.088 3.168 ( 1.836 -0.015 0.584) 1.927 3.179 ( 1.533 0.112 0.069) 1.539 3.192 ( 1.664 0.716 -0.068) 1.813 3.216 ( 2.177 -0.396 -0.058) 2.213 3.458 ( -12.912 0.086 -0.027) 12.912 3.464 ( -12.826 -0.238 0.084) 12.829 4.931 ( 2.089 0.239 0.028) 2.103 4.938 ( 2.252 -0.185 0.176) 2.266 5.035 ( 0.826 0.000 0.009) 0.826 5.036 ( 0.738 -0.083 0.050) 0.745 5.064 ( 0.443 -0.038 0.405) 0.601 5.078 ( 0.417 0.072 -0.342) 0.544 5.521 ( 0.569 0.018 0.266) 0.629 5.532 ( 0.144 0.109 -0.289) 0.340 7.671 ( 0.793 -0.016 0.336) 0.862 7.682 ( 1.220 0.011 -0.114) 1.226 8.419 ( -0.271 -0.210 0.309) 0.462 8.437 ( -1.000 -1.072 0.352) 1.508 8.451 ( -0.001 0.944 -0.321) 0.997 8.469 ( -0.340 -0.426 -0.656) 0.853 8.549 ( -0.196 2.756 0.933) 2.916 8.636 ( -1.111 -1.253 -0.461) 1.737 ======================= Grid point 162 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 9.527 -0.996 8.034) 12.502 0.912 ( 10.530 1.250 1.256) 10.678 0.972 ( 8.979 0.754 -1.992) 9.228 1.004 ( 4.563 -0.504 -6.933) 8.315 1.330 ( 4.549 2.541 2.297) 5.695 1.417 ( 6.240 -2.459 -1.448) 6.861 1.531 ( -7.915 -0.046 4.345) 9.029 1.602 ( -3.020 2.617 2.206) 4.564 1.609 ( -6.341 1.312 -1.337) 6.612 1.642 ( -4.645 -2.194 0.485) 5.160 1.698 ( 5.000 -1.622 -3.739) 6.450 1.737 ( -0.497 -2.197 -1.846) 2.912 1.801 ( 8.780 0.846 1.073) 8.886 1.817 ( 3.614 1.123 -0.024) 3.785 1.862 ( -1.987 -1.099 2.271) 3.212 1.899 ( -0.691 1.454 1.374) 2.116 1.947 ( 7.666 -0.836 -2.394) 8.075 1.958 ( -7.246 -0.671 -1.660) 7.464 2.083 ( 2.494 0.993 1.187) 2.935 2.124 ( 1.518 -3.143 1.264) 3.712 2.277 ( 2.899 -0.088 0.582) 2.958 2.303 ( -0.464 0.724 -0.996) 1.316 2.333 ( 3.139 1.849 -0.314) 3.657 2.359 ( 3.490 -1.145 0.459) 3.702 2.818 ( -3.000 0.131 0.856) 3.123 2.846 ( -3.318 0.181 -1.204) 3.535 3.119 ( 4.053 0.104 0.588) 4.097 3.133 ( 3.822 -0.025 -0.273) 3.832 3.149 ( 4.026 0.798 0.057) 4.105 3.162 ( 3.471 -0.621 0.182) 3.531 3.691 ( -12.675 -0.006 0.133) 12.676 3.695 ( -12.950 -0.134 -0.057) 12.950 4.878 ( 3.890 0.056 0.234) 3.897 4.885 ( 3.632 -0.069 -0.162) 3.636 5.016 ( 1.220 0.040 0.103) 1.225 5.019 ( 1.062 -0.097 -0.039) 1.067 5.055 ( 0.712 -0.006 0.426) 0.830 5.066 ( 0.822 0.023 -0.368) 0.901 5.508 ( 1.164 0.026 0.528) 1.279 5.523 ( 0.763 0.119 -0.639) 1.002 7.654 ( 1.267 0.074 0.017) 1.269 7.655 ( 1.455 -0.095 0.040) 1.459 8.422 ( 0.135 0.059 0.711) 0.726 8.446 ( -0.395 -0.225 -0.746) 0.874 8.459 ( -0.368 0.528 -0.034) 0.645 8.469 ( -0.247 -0.640 -0.316) 0.755 8.580 ( -0.469 2.707 1.062) 2.946 8.642 ( -1.056 -1.733 -1.266) 2.391 ======================= Grid point 163 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 13.787 -0.000 4.075) 14.376 0.708 ( 4.794 -0.000 13.538) 14.362 0.777 ( 11.598 -0.000 -4.247) 12.351 0.917 ( 1.699 -0.000 -11.493) 11.618 1.235 ( 8.995 -0.000 1.458) 9.113 1.253 ( 10.114 -0.000 -0.551) 10.129 1.322 ( 27.372 -0.000 3.694) 27.620 1.377 ( 22.546 -0.000 -2.796) 22.718 1.647 ( 0.647 -0.000 3.416) 3.477 1.693 ( -1.267 0.000 -0.151) 1.276 1.707 ( -0.743 0.000 -1.544) 1.713 1.732 ( -3.262 0.000 -2.376) 4.035 1.817 ( -10.261 0.000 0.818) 10.294 1.834 ( -8.529 0.000 -1.412) 8.645 1.854 ( -0.412 0.000 0.379) 0.560 1.866 ( 0.312 -0.000 -1.345) 1.381 2.063 ( -4.517 0.000 2.968) 5.405 2.092 ( -0.566 0.000 -0.713) 0.910 2.097 ( -5.030 0.000 1.405) 5.223 2.140 ( -9.342 0.000 -3.192) 9.872 2.277 ( -2.219 0.000 2.377) 3.252 2.313 ( -2.245 0.000 -1.892) 2.935 2.341 ( -0.662 0.000 0.983) 1.185 2.345 ( -0.986 0.000 0.441) 1.080 2.873 ( -2.653 0.000 1.019) 2.842 2.894 ( -2.637 0.000 -1.418) 2.993 3.033 ( 6.038 -0.000 0.699) 6.079 3.044 ( 6.039 -0.000 -0.522) 6.061 3.066 ( 5.731 -0.000 1.362) 5.891 3.088 ( 4.468 -0.000 -1.168) 4.618 3.892 ( -9.917 0.000 0.506) 9.930 3.900 ( -10.338 0.000 -0.479) 10.349 4.807 ( 4.220 -0.000 0.336) 4.233 4.813 ( 4.251 -0.000 -0.377) 4.267 4.997 ( 1.006 -0.000 0.237) 1.034 5.000 ( 0.950 -0.000 -0.155) 0.962 5.044 ( 0.764 -0.000 0.336) 0.834 5.049 ( 0.915 -0.000 -0.283) 0.958 5.485 ( 1.734 -0.000 0.740) 1.885 5.500 ( 1.591 -0.000 -1.053) 1.907 7.629 ( 1.304 -0.000 0.332) 1.345 7.636 ( 0.930 -0.000 -0.456) 1.036 8.416 ( 1.087 -0.000 0.866) 1.389 8.437 ( 1.064 -0.000 -1.540) 1.872 8.465 ( 0.115 -0.000 0.281) 0.303 8.470 ( -0.493 0.000 -0.316) 0.586 8.606 ( -0.263 0.000 1.295) 1.322 8.634 ( 0.189 -0.000 -2.194) 2.202 ======================= Grid point 165 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.000 12.501 -0.439) 12.509 0.409 ( 0.000 12.501 0.439) 12.509 0.554 ( -0.000 5.975 -2.954) 6.666 0.554 ( 0.000 5.975 2.954) 6.666 0.921 ( -0.000 3.553 -16.701) 17.075 0.921 ( 0.000 3.553 16.701) 17.075 1.094 ( -0.000 1.315 -2.248) 2.605 1.094 ( 0.000 1.315 2.248) 2.605 1.678 ( -0.000 -2.197 -1.480) 2.649 1.678 ( 0.000 -2.197 1.480) 2.649 1.753 ( -0.000 -3.164 -1.048) 3.334 1.753 ( 0.000 -3.164 1.048) 3.334 1.809 ( -0.000 1.427 -1.010) 1.748 1.809 ( 0.000 1.427 1.010) 1.748 2.064 ( -0.000 -5.831 -1.869) 6.124 2.064 ( 0.000 -5.831 1.869) 6.124 2.127 ( -0.000 -0.009 -0.850) 0.850 2.127 ( 0.000 -0.009 0.850) 0.850 2.292 ( 0.000 2.585 -0.051) 2.586 2.292 ( 0.000 2.585 0.051) 2.586 2.354 ( -0.000 0.962 -3.425) 3.558 2.354 ( 0.000 0.962 3.425) 3.558 2.445 ( -0.000 -0.205 -1.415) 1.429 2.445 ( 0.000 -0.205 1.415) 1.429 2.851 ( -0.000 -0.675 -0.674) 0.954 2.851 ( 0.000 -0.675 0.674) 0.954 2.933 ( -0.000 -0.483 -0.471) 0.674 2.933 ( 0.000 -0.483 0.471) 0.674 2.945 ( -0.000 0.747 -1.865) 2.009 2.945 ( 0.000 0.747 1.865) 2.009 4.100 ( -0.000 0.811 -1.284) 1.519 4.100 ( 0.000 0.811 1.284) 1.519 4.714 ( -0.000 0.020 -0.042) 0.046 4.714 ( 0.000 0.020 0.042) 0.046 4.982 ( -0.000 -0.295 -0.071) 0.303 4.982 ( 0.000 -0.295 0.071) 0.303 5.028 ( -0.000 0.153 -0.160) 0.221 5.028 ( 0.000 0.153 0.160) 0.221 5.438 ( -0.000 0.208 -0.058) 0.216 5.438 ( 0.000 0.208 0.058) 0.216 7.612 ( -0.000 -0.008 -0.809) 0.809 7.612 ( 0.000 -0.008 0.809) 0.809 8.358 ( -0.000 0.507 -1.054) 1.170 8.358 ( 0.000 0.507 1.054) 1.170 8.481 ( -0.000 1.272 -0.975) 1.603 8.481 ( 0.000 1.272 0.975) 1.603 8.602 ( 0.000 -0.614 -0.000) 0.614 8.602 ( 0.000 -0.614 0.000) 0.614 ======================= Grid point 172 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -2.321 0.684 1.449) 2.820 1.050 ( -5.651 -1.051 1.914) 6.058 1.057 ( 0.077 1.356 -2.209) 2.593 1.151 ( -1.836 -2.193 -1.049) 3.046 1.339 ( 0.524 0.161 0.394) 0.675 1.370 ( 0.048 -1.691 0.842) 1.890 1.415 ( 2.337 1.337 0.735) 2.791 1.476 ( 1.939 0.224 0.002) 1.952 1.502 ( 2.605 2.544 1.526) 3.948 1.614 ( -0.865 1.651 -3.624) 4.075 1.669 ( -0.548 -0.578 1.795) 1.964 1.710 ( 0.023 0.676 1.585) 1.724 1.748 ( 0.239 -1.230 0.092) 1.256 1.815 ( -0.244 -1.545 -1.416) 2.110 1.846 ( -0.635 -0.554 -0.709) 1.101 1.960 ( 0.778 -1.772 -1.456) 2.422 1.978 ( 1.948 3.139 2.334) 4.370 2.055 ( -0.374 -0.158 0.529) 0.667 2.146 ( 0.276 -1.589 2.674) 3.123 2.229 ( -0.727 4.757 -0.898) 4.895 2.259 ( 0.601 -2.523 -1.543) 3.018 2.350 ( -0.117 -0.041 0.274) 0.300 2.719 ( 0.511 0.048 0.470) 0.696 2.726 ( 0.475 0.323 0.328) 0.662 2.751 ( 0.887 -0.533 -0.148) 1.046 2.763 ( -0.493 0.014 -0.657) 0.821 3.184 ( -0.178 0.039 0.540) 0.570 3.190 ( -0.350 -0.212 0.214) 0.462 3.200 ( -0.155 0.630 -0.050) 0.651 3.237 ( -0.128 -0.273 -0.417) 0.514 3.313 ( 0.125 0.068 0.065) 0.157 3.320 ( 0.059 -0.100 -0.014) 0.117 4.948 ( -0.035 0.151 0.227) 0.275 4.960 ( -0.018 -0.053 -0.061) 0.083 5.043 ( 0.088 -0.014 0.052) 0.103 5.044 ( 0.031 0.013 0.025) 0.042 5.070 ( -0.025 0.080 0.180) 0.199 5.080 ( -0.028 -0.051 -0.173) 0.183 5.526 ( -0.069 0.039 0.058) 0.098 5.531 ( -0.088 -0.042 -0.059) 0.114 7.680 ( 0.063 0.126 0.327) 0.356 7.693 ( 0.043 0.018 -0.159) 0.166 8.415 ( -0.455 -0.679 0.106) 0.824 8.434 ( -0.774 -1.312 0.705) 1.678 8.445 ( 0.175 0.705 -0.233) 0.763 8.465 ( 0.011 -0.228 -0.871) 0.900 8.534 ( 0.266 2.617 0.620) 2.703 8.632 ( -0.059 -0.949 -0.039) 0.952 ======================= Grid point 173 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 7.238 1.013 2.928) 7.874 1.020 ( 4.792 3.166 -1.647) 5.975 1.083 ( 3.625 0.274 -0.696) 3.701 1.096 ( 5.540 -0.582 -0.756) 5.621 1.364 ( 0.806 3.091 0.791) 3.290 1.403 ( -5.687 -1.531 2.390) 6.356 1.435 ( -7.340 -0.869 -1.341) 7.512 1.470 ( -1.707 -3.456 1.282) 4.062 1.559 ( -3.404 2.538 0.426) 4.268 1.626 ( -1.404 0.137 -0.455) 1.482 1.705 ( -1.459 0.740 -0.527) 1.719 1.719 ( -0.675 -1.274 1.977) 2.447 1.751 ( -1.706 1.062 -0.639) 2.109 1.800 ( -1.943 -0.948 -2.843) 3.571 1.850 ( 0.696 0.319 -0.715) 1.048 1.911 ( 1.481 -2.751 0.462) 3.158 1.990 ( 0.576 2.431 1.104) 2.731 2.053 ( 1.483 -1.799 0.808) 2.468 2.140 ( 1.038 -0.859 3.330) 3.592 2.202 ( 3.414 -1.890 -2.535) 4.654 2.269 ( -0.656 3.863 -0.235) 3.925 2.329 ( 2.117 -0.349 -0.096) 2.148 2.529 ( 16.549 -0.942 0.402) 16.581 2.545 ( 15.184 -0.899 -0.247) 15.213 2.770 ( -2.434 0.407 0.479) 2.513 2.784 ( -2.835 0.245 -0.703) 2.931 3.173 ( 1.885 0.043 0.582) 1.974 3.179 ( 1.625 0.080 -0.116) 1.631 3.191 ( 1.780 0.974 -0.133) 2.033 3.216 ( 1.895 -0.615 -0.009) 1.993 3.458 ( -12.896 0.135 -0.012) 12.897 3.464 ( -12.846 -0.246 0.047) 12.849 4.932 ( 2.165 0.301 0.023) 2.186 4.939 ( 2.217 -0.203 0.102) 2.229 5.035 ( 0.834 0.021 0.008) 0.835 5.037 ( 0.741 -0.076 0.029) 0.746 5.068 ( 0.418 -0.003 0.450) 0.614 5.075 ( 0.437 0.038 -0.411) 0.602 5.524 ( 0.470 0.045 0.312) 0.566 5.529 ( 0.260 0.079 -0.327) 0.425 7.673 ( 0.914 0.108 0.279) 0.962 7.681 ( 1.142 -0.071 -0.142) 1.153 8.421 ( -0.402 -0.092 0.209) 0.462 8.440 ( -0.624 -1.162 0.246) 1.342 8.449 ( -0.183 0.748 -0.118) 0.779 8.464 ( -0.353 -0.170 -0.506) 0.640 8.556 ( -0.212 2.953 0.585) 3.017 8.632 ( -0.948 -1.472 -0.319) 1.779 ======================= Grid point 174 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 7.143 -0.362 7.648) 10.471 0.914 ( 7.239 0.592 -2.205) 7.591 0.953 ( 8.627 -0.024 -3.937) 9.482 0.957 ( 10.025 0.311 -1.333) 10.118 1.344 ( 4.910 3.822 1.056) 6.311 1.407 ( 5.736 -3.581 -0.802) 6.809 1.566 ( -8.758 0.871 3.532) 9.483 1.597 ( -10.258 0.567 -1.559) 10.392 1.618 ( -0.089 1.849 1.635) 2.470 1.636 ( 1.525 -0.310 -2.197) 2.692 1.686 ( 0.233 -2.024 0.865) 2.214 1.718 ( -1.640 -3.021 -2.360) 4.170 1.803 ( 7.151 1.677 -0.027) 7.345 1.822 ( 7.415 -0.377 0.523) 7.443 1.884 ( -0.064 0.293 2.709) 2.726 1.906 ( -5.575 2.228 -0.424) 6.019 1.928 ( 7.236 -1.564 -1.195) 7.499 1.946 ( -2.931 -1.604 -1.208) 3.553 2.090 ( 2.925 1.665 0.410) 3.391 2.131 ( 0.788 -3.702 0.538) 3.823 2.284 ( 1.963 -0.052 1.059) 2.231 2.294 ( 0.891 0.132 -1.222) 1.518 2.331 ( 2.599 2.718 -0.128) 3.763 2.362 ( 3.154 -1.405 0.183) 3.458 2.826 ( -3.067 0.258 0.985) 3.232 2.836 ( -3.176 0.071 -1.115) 3.366 3.123 ( 4.057 0.218 0.475) 4.091 3.130 ( 3.883 -0.170 -0.384) 3.906 3.149 ( 3.780 1.016 0.058) 3.915 3.163 ( 3.636 -0.782 0.059) 3.720 3.692 ( -12.807 0.084 0.068) 12.808 3.694 ( -12.811 -0.209 -0.039) 12.813 4.880 ( 3.783 0.172 0.150) 3.790 4.884 ( 3.785 -0.181 -0.123) 3.792 5.017 ( 1.177 0.092 0.050) 1.181 5.019 ( 1.101 -0.140 -0.026) 1.110 5.059 ( 0.759 0.021 0.437) 0.876 5.063 ( 0.773 -0.003 -0.414) 0.877 5.513 ( 1.059 0.053 0.622) 1.229 5.518 ( 0.922 0.085 -0.664) 1.139 7.654 ( 1.351 0.090 0.007) 1.354 7.656 ( 1.436 -0.112 0.015) 1.441 8.428 ( 0.004 0.347 0.569) 0.667 8.440 ( -0.010 -0.420 -0.598) 0.731 8.459 ( -0.414 0.355 0.007) 0.545 8.467 ( -0.350 -0.535 -0.123) 0.651 8.587 ( -0.395 3.357 0.519) 3.420 8.634 ( -0.864 -2.434 -0.596) 2.651 ======================= Grid point 175 (75/171) ======================= q-point: ( 0.50 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 12.683 -0.276 0.000) 12.686 0.742 ( 12.683 0.276 0.000) 12.686 0.817 ( 2.998 -0.031 0.000) 2.999 0.817 ( 2.998 0.031 0.000) 2.999 1.246 ( 9.780 -2.313 0.000) 10.050 1.246 ( 9.780 2.313 0.000) 10.050 1.351 ( 24.817 -0.830 0.000) 24.831 1.351 ( 24.817 0.830 0.000) 24.831 1.674 ( 1.074 -0.554 0.000) 1.208 1.674 ( 1.074 0.554 0.000) 1.208 1.714 ( -2.811 -3.367 0.000) 4.386 1.714 ( -2.811 3.367 -0.000) 4.386 1.824 ( -10.547 -0.957 0.000) 10.591 1.824 ( -10.547 0.957 -0.000) 10.591 1.858 ( 0.468 -0.072 0.000) 0.473 1.858 ( 0.468 0.072 0.000) 0.473 2.083 ( -1.206 -0.048 0.000) 1.207 2.083 ( -1.206 0.048 0.000) 1.207 2.115 ( -8.270 -1.247 0.000) 8.363 2.115 ( -8.270 1.247 0.000) 8.363 2.296 ( -2.281 -1.510 0.000) 2.736 2.296 ( -2.281 1.510 0.000) 2.736 2.346 ( -0.980 -0.244 0.000) 1.010 2.346 ( -0.980 0.244 0.000) 1.010 2.883 ( -2.633 -0.045 0.000) 2.633 2.883 ( -2.633 0.045 0.000) 2.633 3.039 ( 6.027 -0.207 0.000) 6.030 3.039 ( 6.027 0.207 0.000) 6.030 3.078 ( 5.133 -0.495 0.000) 5.157 3.078 ( 5.133 0.495 0.000) 5.157 3.896 ( -10.120 -0.022 0.000) 10.121 3.896 ( -10.120 0.022 0.000) 10.121 4.810 ( 4.243 -0.019 0.000) 4.243 4.810 ( 4.243 0.019 0.000) 4.243 4.999 ( 0.972 -0.127 0.000) 0.980 4.999 ( 0.972 0.127 0.000) 0.980 5.047 ( 0.839 -0.055 0.000) 0.840 5.047 ( 0.839 0.055 0.000) 0.840 5.492 ( 1.703 -0.009 0.000) 1.703 5.492 ( 1.703 0.009 0.000) 1.703 7.632 ( 1.137 -0.001 0.000) 1.137 7.632 ( 1.137 0.001 0.000) 1.137 8.425 ( 1.182 -0.159 0.000) 1.193 8.425 ( 1.182 0.159 0.000) 1.193 8.467 ( -0.206 -0.369 0.000) 0.422 8.467 ( -0.206 0.369 0.000) 0.422 8.618 ( 0.040 -2.838 0.000) 2.839 8.618 ( 0.040 2.838 0.000) 2.839 ======================= Grid point 183 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -6.398 -3.397 1.654) 7.430 0.950 ( -6.755 -0.826 0.344) 6.814 1.004 ( -4.830 -0.511 -2.259) 5.357 1.113 ( -2.871 -2.379 0.367) 3.746 1.330 ( -1.361 0.522 1.527) 2.111 1.426 ( 3.664 -0.350 0.201) 3.686 1.456 ( 4.661 3.020 -0.239) 5.559 1.525 ( 2.753 2.171 -1.127) 3.683 1.546 ( 2.007 3.481 -0.486) 4.048 1.589 ( 2.576 -1.890 -2.285) 3.928 1.688 ( -1.010 -1.368 0.644) 1.818 1.737 ( 3.560 -0.044 2.535) 4.370 1.770 ( 1.751 -0.323 -0.594) 1.877 1.814 ( -0.855 -1.538 -0.304) 1.786 1.878 ( 4.503 0.452 1.316) 4.713 1.944 ( -2.916 -0.930 0.516) 3.104 1.996 ( 1.393 2.794 0.601) 3.179 2.064 ( 2.098 0.865 -1.421) 2.678 2.149 ( -3.605 3.936 -0.497) 5.361 2.173 ( -0.882 -1.460 0.361) 1.743 2.269 ( -0.927 -2.171 -0.256) 2.375 2.322 ( -2.940 0.993 0.122) 3.105 2.563 ( -15.346 1.009 -0.235) 15.381 2.572 ( -13.948 1.265 -0.000) 14.006 2.759 ( 1.893 -0.220 0.275) 1.926 2.779 ( 2.787 -0.791 0.028) 2.897 3.166 ( -2.314 -0.043 0.170) 2.321 3.169 ( -2.198 -0.462 0.165) 2.252 3.182 ( -1.549 0.024 0.262) 1.571 3.216 ( -2.124 -0.105 -0.617) 2.214 3.463 ( 13.195 0.163 0.206) 13.198 3.468 ( 13.068 0.152 -0.103) 13.069 4.930 ( -2.040 0.001 0.347) 2.070 4.938 ( -2.299 0.069 -0.290) 2.318 5.037 ( -0.797 0.067 0.060) 0.802 5.038 ( -0.636 0.060 0.014) 0.639 5.064 ( -0.471 0.211 -0.096) 0.525 5.077 ( -0.429 -0.213 0.058) 0.482 5.519 ( -0.665 0.064 -0.054) 0.670 5.529 ( -0.333 -0.258 0.060) 0.425 7.673 ( -0.751 0.226 0.154) 0.799 7.682 ( -1.190 0.025 -0.120) 1.196 8.416 ( -0.308 -1.219 0.181) 1.270 8.430 ( -0.685 -0.535 0.031) 0.870 8.450 ( 0.412 -0.528 0.573) 0.881 8.467 ( 0.555 -0.217 -1.055) 1.212 8.525 ( 0.555 2.412 0.338) 2.498 8.647 ( 1.032 -0.760 0.110) 1.286 ======================= Grid point 184 (77/171) ======================= q-point: ( 0.30 0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -1.797 0.954 1.859) 2.756 1.038 ( -0.018 1.482 -2.221) 2.670 1.062 ( -6.190 -0.946 0.797) 6.313 1.145 ( -1.600 -2.669 -0.344) 3.131 1.342 ( 0.153 0.477 0.181) 0.533 1.373 ( 0.898 -1.841 0.019) 2.049 1.423 ( 2.059 2.033 0.719) 2.982 1.475 ( 1.860 0.155 -0.066) 1.868 1.515 ( 2.103 3.174 1.156) 3.979 1.586 ( -1.460 0.646 -2.427) 2.905 1.684 ( 0.138 0.144 1.470) 1.483 1.714 ( -0.705 0.567 -0.376) 0.980 1.759 ( 0.345 -1.975 2.121) 2.918 1.797 ( 0.549 -2.005 -2.397) 3.173 1.845 ( 0.214 0.964 0.143) 0.998 1.951 ( 0.350 -2.354 -0.580) 2.450 1.991 ( 1.739 3.277 0.810) 3.798 2.058 ( -0.577 -0.187 0.249) 0.656 2.163 ( 0.092 -1.046 1.192) 1.589 2.222 ( -0.941 4.735 -0.614) 4.867 2.251 ( 0.846 -2.709 -0.520) 2.886 2.351 ( -0.078 -0.145 0.063) 0.177 2.722 ( 0.410 0.152 0.237) 0.497 2.728 ( -0.158 0.666 0.093) 0.690 2.751 ( 1.357 -0.792 -0.002) 1.571 2.758 ( -0.213 -0.168 -0.331) 0.428 3.188 ( -0.185 0.071 0.251) 0.320 3.192 ( -0.350 -0.156 0.070) 0.389 3.199 ( 0.038 0.871 -0.030) 0.872 3.234 ( -0.387 -0.502 -0.181) 0.659 3.313 ( 0.234 0.107 0.024) 0.258 3.320 ( 0.011 -0.122 -0.004) 0.122 4.950 ( 0.087 0.259 0.097) 0.290 4.959 ( -0.136 -0.103 -0.033) 0.174 5.044 ( 0.105 0.007 0.024) 0.108 5.044 ( 0.043 0.019 0.005) 0.047 5.071 ( -0.154 0.182 0.088) 0.254 5.079 ( 0.076 -0.150 -0.085) 0.189 5.527 ( -0.147 0.071 0.026) 0.165 5.530 ( -0.008 -0.074 -0.027) 0.079 7.682 ( 0.083 0.294 0.158) 0.343 7.692 ( 0.018 -0.091 -0.093) 0.131 8.416 ( -0.436 -0.655 0.050) 0.789 8.438 ( -0.818 -0.918 0.208) 1.247 8.444 ( 0.160 -0.055 0.165) 0.236 8.459 ( 0.045 0.183 -0.522) 0.555 8.537 ( 0.245 2.692 0.226) 2.712 8.632 ( 0.008 -0.990 -0.017) 0.990 ======================= Grid point 185 (78/171) ======================= q-point: ( 0.40 0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 6.452 1.951 -0.000) 6.740 1.006 ( 4.667 2.400 -0.000) 5.248 1.079 ( 4.740 -0.289 0.000) 4.749 1.095 ( 5.456 -0.193 0.000) 5.460 1.367 ( 0.489 3.312 -0.000) 3.348 1.421 ( -7.280 -1.476 -0.000) 7.428 1.422 ( -5.533 -0.846 -0.000) 5.597 1.476 ( -1.602 -3.977 0.000) 4.287 1.560 ( -2.873 3.126 -0.000) 4.246 1.624 ( -3.319 0.180 -0.000) 3.324 1.703 ( 0.488 0.834 -0.000) 0.966 1.725 ( 0.160 -0.425 0.000) 0.454 1.755 ( -2.369 -0.551 -0.000) 2.432 1.782 ( -2.900 -0.774 -0.000) 3.002 1.847 ( 1.112 0.837 -0.000) 1.392 1.913 ( 1.237 -3.068 0.000) 3.308 1.995 ( 0.670 2.887 -0.000) 2.964 2.056 ( 1.370 -1.991 0.000) 2.417 2.158 ( 0.498 -0.387 0.000) 0.631 2.188 ( 4.020 -2.323 0.000) 4.643 2.268 ( -0.668 3.905 -0.000) 3.961 2.329 ( 2.113 -0.460 0.000) 2.162 2.531 ( 16.730 -0.666 0.000) 16.743 2.544 ( 15.088 -1.173 0.000) 15.134 2.773 ( -2.607 0.632 -0.000) 2.683 2.780 ( -2.698 0.043 -0.000) 2.698 3.176 ( 1.980 0.047 0.000) 1.980 3.178 ( 1.608 0.065 0.000) 1.609 3.191 ( 1.807 1.091 -0.000) 2.111 3.216 ( 1.783 -0.695 0.000) 1.914 3.458 ( -12.891 0.153 -0.000) 12.892 3.465 ( -12.853 -0.248 -0.000) 12.855 4.932 ( 2.191 0.323 0.000) 2.215 4.940 ( 2.208 -0.208 0.000) 2.218 5.035 ( 0.838 0.029 0.000) 0.838 5.037 ( 0.743 -0.074 0.000) 0.746 5.071 ( 0.317 0.078 0.000) 0.326 5.072 ( 0.537 -0.041 0.000) 0.538 5.526 ( 0.340 0.101 -0.000) 0.354 5.527 ( 0.396 0.023 0.000) 0.397 7.675 ( 0.989 0.210 0.000) 1.011 7.680 ( 1.084 -0.158 0.000) 1.096 8.422 ( -0.466 -0.044 -0.000) 0.468 8.441 ( -0.340 -1.051 0.000) 1.104 8.449 ( -0.385 0.430 -0.000) 0.577 8.462 ( -0.350 0.020 -0.000) 0.351 8.558 ( -0.223 3.052 -0.000) 3.060 8.631 ( -0.882 -1.576 0.000) 1.806 ======================= Grid point 194 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -9.887 5.678 -0.981) 11.444 0.832 ( -8.485 -1.574 -0.138) 8.631 0.937 ( -3.806 -2.658 0.001) 4.642 1.099 ( -1.017 -2.175 0.766) 2.520 1.290 ( -3.159 0.799 1.423) 3.556 1.418 ( -5.887 -0.934 -2.010) 6.291 1.504 ( 3.565 2.605 -0.167) 4.418 1.571 ( 2.831 0.701 1.439) 3.252 1.606 ( 8.053 -0.832 -0.280) 8.100 1.657 ( 1.180 0.055 -1.277) 1.740 1.710 ( 1.710 -3.095 -0.273) 3.547 1.759 ( 0.846 -0.141 0.201) 0.881 1.784 ( -4.887 -1.781 0.191) 5.205 1.825 ( -0.114 -1.628 -0.278) 1.655 1.892 ( -2.076 1.850 1.360) 3.095 1.919 ( -11.184 5.611 0.339) 12.517 1.988 ( 3.527 1.518 0.421) 3.863 2.050 ( 2.754 1.969 1.449) 3.682 2.070 ( -0.178 1.074 -2.598) 2.816 2.150 ( -1.931 0.082 -0.295) 1.955 2.263 ( -0.065 0.486 0.162) 0.517 2.272 ( -0.092 -2.252 0.071) 2.255 2.320 ( -8.563 1.309 -0.244) 8.666 2.378 ( -5.481 0.573 0.059) 5.511 2.807 ( 3.131 0.090 0.006) 3.132 2.848 ( 3.824 -0.934 0.165) 3.940 3.105 ( -4.608 -0.262 -0.076) 4.616 3.121 ( -4.168 -0.660 0.136) 4.222 3.146 ( -2.863 -0.291 0.578) 2.935 3.159 ( -3.941 0.120 -0.729) 4.010 3.698 ( 12.731 0.369 0.148) 12.737 3.700 ( 13.063 0.246 -0.108) 13.066 4.878 ( -3.851 0.155 0.070) 3.855 4.885 ( -3.454 -0.096 -0.072) 3.456 5.017 ( -1.324 0.129 0.014) 1.331 5.023 ( -1.016 0.061 0.001) 1.017 5.052 ( -0.660 0.176 -0.056) 0.685 5.068 ( -0.811 -0.189 0.041) 0.834 5.502 ( -1.230 0.098 -0.053) 1.235 5.522 ( -0.844 -0.509 0.071) 0.988 7.653 ( -1.769 -0.001 0.016) 1.769 7.657 ( -0.979 0.101 -0.033) 0.984 8.418 ( -0.802 -0.372 0.157) 0.898 8.423 ( -0.369 -1.531 -0.093) 1.577 8.470 ( 0.894 -0.838 0.981) 1.569 8.479 ( 0.906 -0.716 -1.164) 1.640 8.518 ( 0.375 2.224 0.131) 2.259 8.676 ( 1.343 -0.733 0.138) 1.536 ======================= Grid point 195 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -6.817 -3.314 0.000) 7.579 0.951 ( -7.137 -1.055 -0.000) 7.215 0.993 ( -4.272 -0.129 -0.000) 4.274 1.115 ( -2.754 -2.623 0.000) 3.804 1.336 ( -0.712 0.842 -0.000) 1.103 1.426 ( 2.690 0.541 0.000) 2.744 1.458 ( 5.788 1.955 -0.000) 6.109 1.515 ( 0.571 2.973 -0.000) 3.027 1.546 ( 2.587 3.312 -0.000) 4.202 1.580 ( 3.442 -2.274 0.000) 4.125 1.691 ( -1.659 -1.332 0.000) 2.127 1.750 ( 5.759 -0.653 0.000) 5.796 1.765 ( -0.757 -0.107 -0.000) 0.764 1.812 ( -0.373 -1.645 0.000) 1.687 1.886 ( 5.443 1.366 0.000) 5.612 1.945 ( -2.842 -1.656 0.000) 3.289 1.999 ( 1.717 3.095 -0.000) 3.540 2.058 ( 1.137 0.816 -0.000) 1.399 2.146 ( -3.941 5.439 -0.000) 6.717 2.175 ( -0.678 -2.513 0.000) 2.603 2.268 ( -0.851 -2.544 0.000) 2.683 2.322 ( -2.951 1.129 -0.000) 3.159 2.562 ( -15.345 0.995 -0.000) 15.377 2.572 ( -13.915 1.284 -0.000) 13.974 2.760 ( 1.879 -0.100 0.000) 1.881 2.780 ( 2.796 -0.922 0.000) 2.945 3.167 ( -2.515 -0.037 -0.000) 2.516 3.170 ( -2.016 -0.381 -0.000) 2.052 3.183 ( -1.408 0.162 -0.000) 1.417 3.213 ( -2.267 -0.274 -0.000) 2.284 3.464 ( 13.226 0.187 0.000) 13.227 3.468 ( 13.044 0.146 0.000) 13.045 4.932 ( -1.900 0.071 -0.000) 1.902 4.936 ( -2.444 0.029 -0.000) 2.444 5.037 ( -0.790 0.069 -0.000) 0.793 5.038 ( -0.642 0.072 -0.000) 0.646 5.063 ( -0.486 0.228 -0.000) 0.537 5.078 ( -0.415 -0.228 0.000) 0.474 5.519 ( -0.675 0.072 -0.000) 0.679 5.529 ( -0.321 -0.268 0.000) 0.418 7.674 ( -0.733 0.312 -0.000) 0.797 7.681 ( -1.219 -0.033 -0.000) 1.219 8.417 ( -0.274 -1.259 0.000) 1.288 8.429 ( -0.666 -0.271 0.000) 0.719 8.454 ( 0.219 -1.409 0.000) 1.426 8.461 ( 0.691 0.454 -0.000) 0.827 8.527 ( 0.550 2.453 -0.000) 2.514 8.648 ( 1.057 -0.771 0.000) 1.308 ======================= Grid point 204 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -10.293 8.704 -0.000) 13.479 0.658 ( -10.499 3.607 -0.000) 11.101 0.865 ( -5.493 1.129 -0.000) 5.608 1.113 ( 0.338 -2.578 0.000) 2.600 1.220 ( -4.729 2.241 -0.000) 5.233 1.272 ( -8.718 1.564 -0.000) 8.857 1.406 ( -24.857 7.101 -0.000) 25.852 1.446 ( -20.846 1.791 -0.000) 20.923 1.571 ( 3.882 0.264 0.000) 3.891 1.650 ( 4.637 -2.453 0.000) 5.246 1.724 ( 1.906 0.136 0.000) 1.911 1.791 ( 1.814 -1.740 0.000) 2.514 1.806 ( -2.207 -1.690 0.000) 2.780 1.831 ( -1.648 2.049 -0.000) 2.629 1.856 ( 5.636 -2.787 0.000) 6.287 1.877 ( 8.725 -4.744 0.000) 9.931 2.003 ( -0.790 2.346 -0.000) 2.475 2.084 ( 4.524 0.799 0.000) 4.594 2.156 ( 2.501 1.418 -0.000) 2.875 2.175 ( 2.769 -0.696 0.000) 2.855 2.236 ( 4.249 1.655 -0.000) 4.560 2.272 ( -0.827 -0.858 0.000) 1.191 2.332 ( 5.041 -0.330 0.000) 5.051 2.348 ( 1.658 -0.066 0.000) 1.659 2.859 ( 2.774 0.190 0.000) 2.780 2.915 ( 2.842 -0.668 0.000) 2.919 3.011 ( -6.288 -0.438 -0.000) 6.304 3.031 ( -6.271 -0.126 -0.000) 6.272 3.070 ( -5.733 0.149 -0.000) 5.735 3.097 ( -3.189 -0.456 -0.000) 3.221 3.893 ( 9.800 0.619 0.000) 9.820 3.909 ( 10.686 0.042 0.000) 10.686 4.805 ( -4.126 0.225 -0.000) 4.132 4.818 ( -4.188 -0.142 -0.000) 4.190 4.992 ( -1.292 0.116 -0.000) 1.297 5.004 ( -0.984 0.002 -0.000) 0.984 5.039 ( -0.636 0.129 -0.000) 0.649 5.054 ( -0.884 -0.057 -0.000) 0.886 5.476 ( -1.561 0.159 -0.000) 1.569 5.507 ( -1.478 -0.869 0.000) 1.715 7.623 ( -1.516 -0.015 -0.000) 1.516 7.643 ( -0.636 -0.199 0.000) 0.667 8.402 ( -1.262 -0.497 0.000) 1.356 8.428 ( -0.450 -1.642 0.000) 1.702 8.488 ( 0.552 0.575 -0.000) 0.797 8.507 ( 1.166 -2.551 0.000) 2.805 8.508 ( 0.369 2.015 -0.000) 2.048 8.699 ( 0.310 -0.950 0.000) 1.000 ======================= Grid point 214 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( -0.000 11.881 -0.000) 11.881 0.499 ( -0.000 16.225 -0.000) 16.225 0.643 ( -0.000 20.371 -0.000) 20.371 0.770 ( -0.000 10.036 -0.000) 10.036 0.842 ( -0.000 10.401 -0.000) 10.401 1.032 ( -0.000 1.578 -0.000) 1.578 1.162 ( -0.000 1.083 -0.000) 1.083 1.233 ( 0.000 -5.720 0.000) 5.720 1.707 ( 0.000 -2.530 0.000) 2.530 1.714 ( -0.000 2.506 -0.000) 2.506 1.747 ( 0.000 -2.644 0.000) 2.644 1.749 ( -0.000 0.357 -0.000) 0.357 1.823 ( 0.000 -3.202 0.000) 3.202 1.825 ( 0.000 -3.364 0.000) 3.364 1.844 ( 0.000 -2.365 0.000) 2.365 2.005 ( 0.000 -2.245 0.000) 2.245 2.079 ( 0.000 -4.962 0.000) 4.962 2.083 ( 0.000 -4.220 0.000) 4.220 2.241 ( 0.000 -0.075 0.000) 0.075 2.312 ( -0.000 2.565 -0.000) 2.565 2.336 ( -0.000 2.309 -0.000) 2.309 2.412 ( -0.000 0.561 -0.000) 0.561 2.421 ( 0.000 -3.184 0.000) 3.184 2.575 ( 0.000 -2.473 0.000) 2.473 2.836 ( 0.000 -0.373 0.000) 0.373 2.854 ( -0.000 0.770 -0.000) 0.770 2.861 ( 0.000 -0.963 0.000) 0.963 2.913 ( -0.000 0.190 -0.000) 0.190 2.986 ( -0.000 0.374 -0.000) 0.374 3.023 ( 0.000 -1.020 0.000) 1.020 4.083 ( -0.000 1.153 -0.000) 1.153 4.124 ( 0.000 -0.274 0.000) 0.274 4.714 ( -0.000 0.018 -0.000) 0.018 4.716 ( 0.000 -0.027 0.000) 0.027 4.966 ( -0.000 0.056 -0.000) 0.056 4.982 ( 0.000 -0.234 0.000) 0.234 5.026 ( -0.000 0.112 -0.000) 0.112 5.040 ( 0.000 -0.135 0.000) 0.135 5.439 ( -0.000 0.329 -0.000) 0.329 5.443 ( -0.000 0.288 -0.000) 0.288 7.596 ( 0.000 -0.002 0.000) 0.002 7.633 ( 0.000 -0.547 0.000) 0.547 8.344 ( -0.000 0.432 -0.000) 0.432 8.415 ( 0.000 -1.167 0.000) 1.167 8.484 ( -0.000 0.999 -0.000) 0.999 8.525 ( -0.000 1.532 -0.000) 1.532 8.589 ( 0.000 -1.341 0.000) 1.341 8.611 ( 0.000 -0.091 0.000) 0.091 ======================= Grid point 215 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -8.341 10.501 2.501) 13.642 0.603 ( -2.246 13.501 1.182) 13.738 0.834 ( -1.119 8.170 -0.625) 8.270 1.024 ( -20.819 11.998 -0.004) 24.029 1.070 ( -3.588 -1.568 -0.989) 4.039 1.094 ( -15.178 8.085 0.470) 17.204 1.194 ( -3.674 -0.577 -0.433) 3.744 1.211 ( -2.907 -0.497 1.018) 3.120 1.636 ( 3.864 -0.491 -0.864) 3.989 1.688 ( 2.893 -3.451 -2.823) 5.315 1.745 ( -0.254 -0.276 0.704) 0.797 1.759 ( -0.375 -1.258 -0.222) 1.332 1.792 ( 0.092 -1.978 -0.178) 1.988 1.812 ( -1.511 -1.412 0.985) 2.291 1.859 ( -1.706 -6.598 1.054) 6.896 1.975 ( 4.611 -3.249 -0.638) 5.677 2.003 ( 0.470 -0.121 0.684) 0.839 2.109 ( -2.332 -3.926 0.889) 4.652 2.201 ( 3.560 0.951 -0.371) 3.704 2.233 ( 5.879 3.039 0.715) 6.657 2.308 ( 3.970 1.438 -0.100) 4.224 2.369 ( 5.027 -1.537 -1.639) 5.506 2.394 ( 2.909 -0.144 1.821) 3.435 2.444 ( 7.951 -0.871 -0.657) 8.026 2.893 ( -5.019 -0.460 0.026) 5.040 2.901 ( -0.418 0.280 -0.375) 0.627 2.906 ( -3.348 -0.093 0.644) 3.411 2.951 ( -7.281 -0.458 -0.127) 7.297 2.973 ( 0.953 0.333 -0.397) 1.085 3.039 ( -2.600 -0.939 -0.060) 2.765 4.038 ( 5.851 0.875 0.093) 5.917 4.062 ( 6.487 -0.168 0.027) 6.489 4.742 ( -2.955 0.138 0.024) 2.958 4.748 ( -3.310 -0.079 0.005) 3.311 4.974 ( -0.801 0.084 0.051) 0.807 4.988 ( -0.777 -0.223 -0.012) 0.808 5.030 ( -0.392 0.136 0.013) 0.415 5.042 ( -0.380 -0.041 -0.034) 0.383 5.452 ( -1.128 0.294 0.023) 1.165 5.468 ( -2.005 -0.486 -0.070) 2.064 7.603 ( -0.760 0.043 0.084) 0.766 7.631 ( -0.347 -0.508 -0.084) 0.621 8.367 ( -1.818 -0.576 0.033) 1.907 8.408 ( -0.373 -1.563 -0.303) 1.636 8.495 ( -0.164 1.073 0.020) 1.086 8.528 ( 2.019 0.063 -0.432) 2.066 8.533 ( 1.191 1.032 0.499) 1.653 8.665 ( -2.864 -1.558 -0.296) 3.273 ======================= Grid point 216 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -7.967 8.206 1.621) 11.552 0.743 ( -3.604 6.818 2.596) 8.137 0.890 ( -0.549 2.629 -0.743) 2.787 1.066 ( -0.637 -3.184 -1.079) 3.421 1.220 ( -3.845 0.637 -3.835) 5.468 1.311 ( -6.891 0.875 4.245) 8.141 1.477 ( -19.024 1.662 0.507) 19.103 1.480 ( -16.662 2.185 0.027) 16.805 1.573 ( 1.700 0.335 -2.804) 3.296 1.618 ( 0.653 -0.378 1.050) 1.293 1.732 ( 0.110 0.651 -1.281) 1.441 1.760 ( -0.868 -0.829 -2.124) 2.440 1.767 ( 2.578 -3.132 -0.971) 4.172 1.793 ( 1.420 -3.506 0.600) 3.830 1.849 ( 5.144 -1.989 4.509) 7.124 1.879 ( -3.223 2.300 1.690) 4.305 2.013 ( -0.537 0.640 -1.995) 2.163 2.085 ( 3.396 -0.328 -0.623) 3.469 2.161 ( 3.921 0.233 -1.267) 4.127 2.189 ( 1.647 1.325 1.481) 2.581 2.250 ( 2.296 0.220 -0.694) 2.409 2.273 ( 1.733 -0.495 1.742) 2.507 2.323 ( 4.319 0.228 -0.799) 4.398 2.351 ( 2.147 -0.155 0.740) 2.277 2.864 ( 2.934 0.419 -0.047) 2.964 2.904 ( 2.978 -0.672 -0.250) 3.063 3.005 ( -6.381 -0.391 0.120) 6.394 3.027 ( -5.528 -0.424 -0.145) 5.546 3.063 ( -5.669 -0.545 -1.026) 5.787 3.095 ( -3.941 -0.220 1.063) 4.087 3.901 ( 10.031 0.483 -0.048) 10.043 3.910 ( 10.499 0.078 0.002) 10.499 4.808 ( -4.106 0.193 0.030) 4.111 4.816 ( -4.180 -0.125 0.016) 4.182 4.994 ( -1.301 0.120 -0.003) 1.307 5.003 ( -1.118 -0.110 -0.000) 1.123 5.041 ( -0.666 0.163 0.027) 0.686 5.052 ( -0.783 -0.124 -0.027) 0.793 5.479 ( -1.485 0.195 0.076) 1.500 5.495 ( -1.594 -0.560 -0.126) 1.694 7.624 ( -1.484 0.087 0.130) 1.493 7.639 ( -0.922 -0.266 -0.056) 0.962 8.390 ( -1.435 -1.134 -0.058) 1.830 8.403 ( -0.486 -1.596 -0.220) 1.683 8.482 ( 1.463 -0.189 -0.605) 1.594 8.501 ( 1.019 0.188 1.032) 1.462 8.540 ( 0.227 2.511 -0.219) 2.531 8.677 ( -0.250 -1.671 -0.329) 1.722 ======================= Grid point 217 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -3.759 -0.785 -0.840) 3.931 0.865 ( -3.250 2.791 1.793) 4.645 0.918 ( -4.464 0.366 0.750) 4.541 1.059 ( -1.544 -2.107 -0.341) 2.634 1.273 ( -3.629 0.330 -4.197) 5.559 1.431 ( -3.439 -0.896 3.942) 5.307 1.541 ( 1.479 1.745 -0.418) 2.326 1.555 ( -0.335 0.332 -3.293) 3.326 1.607 ( 4.352 0.018 1.666) 4.660 1.665 ( 1.783 -2.558 1.992) 3.701 1.679 ( 3.864 -0.057 2.050) 4.374 1.755 ( -6.159 -1.244 -0.388) 6.295 1.772 ( -0.064 0.147 0.605) 0.626 1.797 ( -1.040 -1.553 0.666) 1.984 1.909 ( 1.342 2.193 -2.726) 3.748 1.958 ( 1.094 1.913 -5.127) 5.581 1.989 ( -2.790 0.095 -0.244) 2.802 2.063 ( -5.119 0.306 -0.497) 5.152 2.121 ( -1.804 2.646 1.929) 3.739 2.160 ( 3.437 0.349 3.143) 4.671 2.244 ( -0.532 -1.215 0.367) 1.376 2.273 ( -2.292 0.579 -0.226) 2.375 2.347 ( -7.382 1.730 -0.032) 7.582 2.380 ( -6.488 -0.022 -0.145) 6.490 2.806 ( 3.505 -0.113 -0.541) 3.548 2.836 ( 3.835 -0.541 0.159) 3.877 3.102 ( -4.699 -0.316 0.139) 4.712 3.108 ( -4.140 -0.645 -0.470) 4.217 3.133 ( -3.636 -0.522 -1.169) 3.855 3.171 ( -3.510 0.241 1.492) 3.822 3.700 ( 12.962 0.205 -0.307) 12.968 3.705 ( 12.907 0.239 0.106) 12.910 4.878 ( -3.561 -0.008 -0.309) 3.575 4.886 ( -3.708 0.016 0.251) 3.716 5.018 ( -1.284 0.090 -0.093) 1.291 5.023 ( -1.081 -0.011 0.006) 1.082 5.055 ( -0.713 0.198 0.096) 0.747 5.065 ( -0.751 -0.203 -0.071) 0.781 5.504 ( -1.169 0.126 0.093) 1.179 5.514 ( -1.011 -0.389 -0.112) 1.089 7.653 ( -1.502 0.049 -0.075) 1.505 7.658 ( -1.411 0.044 0.096) 1.415 8.397 ( -0.649 -1.441 -0.399) 1.631 8.405 ( -0.900 -1.322 -0.061) 1.600 8.461 ( 0.874 0.401 -0.087) 0.966 8.486 ( 1.084 -0.052 0.920) 1.423 8.552 ( 0.502 2.635 -0.490) 2.727 8.657 ( 0.884 -1.571 -0.224) 1.816 ======================= Grid point 218 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -7.298 -2.163 -1.767) 7.815 0.924 ( -4.634 -1.371 -0.907) 4.917 1.026 ( -5.233 0.500 1.829) 5.566 1.084 ( -2.213 -1.531 0.715) 2.784 1.313 ( -2.590 0.112 -3.985) 4.754 1.415 ( 3.813 -0.343 0.241) 3.836 1.497 ( 4.121 0.474 1.936) 4.577 1.558 ( 2.568 3.198 -1.243) 4.286 1.574 ( 3.740 0.195 0.139) 3.748 1.624 ( -1.227 1.356 3.395) 3.856 1.668 ( 1.360 -0.576 1.251) 1.936 1.719 ( 3.319 0.446 -2.617) 4.250 1.758 ( 2.105 -1.604 0.302) 2.663 1.800 ( -0.426 -0.828 0.376) 1.005 1.859 ( 2.395 -0.659 -1.781) 3.056 1.930 ( -1.825 -0.349 -1.135) 2.178 2.016 ( -1.038 1.426 -2.228) 2.842 2.087 ( 3.865 -0.349 0.236) 3.888 2.122 ( -0.466 -0.245 -1.244) 1.351 2.232 ( -3.035 1.651 2.586) 4.315 2.254 ( -0.437 0.576 0.432) 0.843 2.324 ( -2.380 -0.374 -0.274) 2.425 2.579 ( -14.484 0.739 0.214) 14.505 2.585 ( -14.195 0.638 0.042) 14.209 2.749 ( 1.851 -0.446 -0.798) 2.064 2.774 ( 2.761 -0.217 0.424) 2.801 3.158 ( -2.326 -0.368 -0.821) 2.494 3.163 ( -2.448 -0.285 -0.129) 2.468 3.180 ( -2.287 0.048 -0.484) 2.338 3.224 ( -1.660 0.103 1.194) 2.048 3.462 ( 13.269 0.090 -0.332) 13.273 3.471 ( 13.244 0.061 0.085) 13.244 4.927 ( -2.162 -0.046 -0.487) 2.217 4.941 ( -2.198 0.039 0.256) 2.213 5.037 ( -0.785 0.028 -0.116) 0.794 5.038 ( -0.604 -0.003 -0.066) 0.608 5.067 ( -0.343 0.147 0.022) 0.373 5.074 ( -0.572 -0.137 0.027) 0.588 5.521 ( -0.605 0.082 0.044) 0.612 5.525 ( -0.510 -0.195 -0.048) 0.548 7.672 ( -0.795 0.025 -0.392) 0.886 7.684 ( -1.115 0.111 0.206) 1.139 8.398 ( -0.722 -0.957 -0.374) 1.256 8.409 ( -0.713 -1.048 -0.318) 1.307 8.455 ( 0.372 0.609 0.300) 0.774 8.473 ( 0.647 -0.167 0.764) 1.015 8.557 ( 0.603 2.448 -0.818) 2.651 8.630 ( 0.712 -1.461 -0.053) 1.626 ======================= Grid point 219 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -5.597 0.612 -1.677) 5.875 1.013 ( -6.571 -1.091 -2.250) 7.030 1.091 ( -0.571 1.053 0.578) 1.330 1.141 ( -3.079 -1.302 3.651) 4.950 1.333 ( 1.204 0.017 -1.151) 1.666 1.339 ( -0.348 -0.824 -2.213) 2.386 1.420 ( 4.972 0.294 -0.632) 5.021 1.470 ( 4.292 -0.327 -0.151) 4.307 1.531 ( 3.437 2.068 -0.796) 4.089 1.621 ( -1.292 -0.816 -3.126) 3.480 1.682 ( -0.065 1.069 -1.819) 2.111 1.708 ( -0.888 0.862 4.614) 4.777 1.746 ( -1.279 -0.814 1.592) 2.199 1.803 ( -0.403 -1.034 0.836) 1.390 1.839 ( -0.699 -0.317 -0.642) 1.000 1.950 ( -0.935 -0.913 0.838) 1.552 1.992 ( 4.737 1.310 -2.034) 5.319 2.046 ( -0.301 -0.350 -0.743) 0.875 2.106 ( 0.795 -0.227 -3.880) 3.967 2.247 ( 0.562 -0.980 2.038) 2.330 2.289 ( -0.649 2.250 0.231) 2.353 2.341 ( -0.218 -0.684 0.240) 0.757 2.713 ( 0.976 -0.030 -0.836) 1.286 2.722 ( 2.092 -0.073 -0.510) 2.154 2.749 ( 0.363 -0.108 0.276) 0.469 2.771 ( -1.218 0.116 1.060) 1.619 3.177 ( -0.391 -0.102 -0.865) 0.954 3.187 ( -0.565 -0.054 -0.231) 0.613 3.205 ( -0.508 0.182 -0.229) 0.587 3.240 ( 0.351 -0.013 0.749) 0.827 3.313 ( -0.101 0.015 -0.165) 0.194 3.319 ( 0.236 -0.053 0.062) 0.249 4.947 ( -0.290 0.012 -0.412) 0.504 4.960 ( 0.194 -0.010 0.080) 0.210 5.042 ( 0.085 -0.021 -0.097) 0.131 5.044 ( 0.036 -0.006 -0.058) 0.069 5.068 ( 0.170 -0.009 -0.268) 0.318 5.082 ( -0.193 0.023 0.253) 0.319 5.526 ( 0.033 0.003 -0.098) 0.103 5.531 ( -0.293 -0.005 0.100) 0.310 7.677 ( 0.079 -0.023 -0.511) 0.517 7.695 ( 0.107 0.053 0.175) 0.212 8.407 ( -0.925 -0.221 -0.264) 0.987 8.413 ( -0.615 -0.670 -0.444) 1.012 8.457 ( -0.011 0.494 0.427) 0.653 8.467 ( 0.168 -0.260 0.537) 0.620 8.561 ( 0.188 1.749 -1.141) 2.097 8.616 ( -0.266 -1.098 0.309) 1.171 ======================= Grid point 220 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 11.690 -0.000 -2.973) 12.062 1.065 ( 3.918 -0.000 -0.237) 3.925 1.094 ( 2.132 -0.000 0.498) 2.189 1.132 ( 2.241 -0.000 3.988) 4.575 1.340 ( 0.011 -0.000 -4.187) 4.187 1.358 ( -0.950 0.000 -1.820) 2.053 1.421 ( -7.955 0.000 -0.509) 7.971 1.455 ( -5.804 0.000 1.086) 5.904 1.561 ( -5.120 0.000 -1.303) 5.284 1.601 ( 3.240 -0.000 -2.548) 4.122 1.700 ( -2.876 0.000 1.071) 3.069 1.739 ( -0.506 0.000 3.151) 3.191 1.801 ( -4.930 0.000 -1.454) 5.140 1.806 ( 0.145 -0.000 2.012) 2.017 1.866 ( -2.417 0.000 1.687) 2.948 1.895 ( 4.318 -0.000 0.926) 4.416 1.969 ( 1.272 -0.000 -2.003) 2.373 2.025 ( 2.070 -0.000 -1.230) 2.408 2.064 ( 1.516 -0.000 -4.615) 4.857 2.229 ( 2.798 -0.000 2.051) 3.469 2.306 ( -0.548 0.000 0.163) 0.572 2.328 ( 1.583 -0.000 0.285) 1.608 2.509 ( 17.210 -0.000 -0.604) 17.220 2.547 ( 14.839 -0.000 0.320) 14.842 2.764 ( -2.052 0.000 -0.366) 2.085 2.799 ( -3.077 0.000 0.687) 3.153 3.163 ( 1.688 -0.000 -0.536) 1.771 3.179 ( 1.401 -0.000 -0.134) 1.407 3.196 ( 1.439 -0.000 -0.286) 1.467 3.216 ( 2.625 -0.000 0.354) 2.649 3.459 ( -12.973 0.000 -0.073) 12.973 3.461 ( -12.685 0.000 -0.031) 12.685 4.933 ( 1.714 -0.000 -0.155) 1.721 4.935 ( 2.574 -0.000 -0.097) 2.576 5.035 ( 0.703 -0.000 -0.045) 0.704 5.035 ( 0.869 -0.000 -0.044) 0.870 5.061 ( 0.459 -0.000 -0.321) 0.561 5.082 ( 0.405 -0.000 0.257) 0.480 5.519 ( 0.642 -0.000 -0.204) 0.673 5.535 ( -0.011 0.000 0.230) 0.231 7.667 ( 0.681 -0.000 -0.350) 0.765 7.683 ( 1.296 -0.000 0.083) 1.299 8.414 ( -0.161 0.000 -0.433) 0.462 8.427 ( -1.342 0.000 -0.111) 1.347 8.465 ( -0.305 0.000 0.435) 0.532 8.466 ( -0.005 0.000 0.371) 0.371 8.565 ( -0.376 0.000 -1.209) 1.266 8.628 ( -1.296 0.000 0.720) 1.483 ======================= Grid point 225 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 0.000 10.247 8.396) 13.248 0.505 ( -0.000 16.010 1.516) 16.081 0.647 ( -0.000 19.405 1.025) 19.432 0.776 ( 0.000 10.642 1.481) 10.745 0.832 ( -0.000 10.350 -2.318) 10.606 1.037 ( 0.000 1.438 1.182) 1.861 1.160 ( -0.000 1.162 -0.339) 1.211 1.225 ( -0.000 -4.952 -1.907) 5.306 1.701 ( -0.000 1.465 -3.689) 3.969 1.704 ( -0.000 -2.295 -0.744) 2.413 1.731 ( -0.000 -1.814 -1.723) 2.502 1.741 ( -0.000 -0.382 -1.673) 1.716 1.807 ( -0.000 -2.266 -0.566) 2.335 1.847 ( 0.000 -1.748 0.554) 1.833 1.872 ( 0.000 -5.064 6.293) 8.078 1.995 ( -0.000 -2.981 -2.106) 3.650 2.087 ( 0.000 -3.739 0.960) 3.860 2.088 ( 0.000 -4.103 1.901) 4.522 2.247 ( 0.000 -0.236 1.363) 1.383 2.313 ( -0.000 2.491 0.203) 2.499 2.335 ( -0.000 2.266 -0.253) 2.280 2.414 ( 0.000 0.501 0.441) 0.668 2.421 ( 0.000 -3.050 0.064) 3.051 2.560 ( -0.000 -1.829 -3.373) 3.837 2.834 ( -0.000 -0.399 -0.249) 0.471 2.859 ( -0.000 -0.963 -0.324) 1.016 2.861 ( 0.000 0.761 1.402) 1.596 2.914 ( 0.000 0.195 0.219) 0.293 2.982 ( -0.000 0.462 -0.877) 0.991 3.020 ( -0.000 -0.920 -0.822) 1.234 4.084 ( 0.000 1.137 0.340) 1.187 4.125 ( 0.000 -0.276 0.172) 0.326 4.714 ( 0.000 0.021 0.008) 0.022 4.716 ( -0.000 -0.022 -0.016) 0.027 4.968 ( 0.000 -0.023 0.261) 0.262 4.982 ( -0.000 -0.234 -0.040) 0.238 5.026 ( 0.000 0.113 0.043) 0.121 5.040 ( -0.000 -0.087 -0.199) 0.217 5.440 ( -0.000 0.327 0.038) 0.329 5.443 ( -0.000 0.290 -0.017) 0.290 7.597 ( 0.000 0.010 0.155) 0.155 7.632 ( -0.000 -0.507 -0.285) 0.582 8.345 ( 0.000 0.434 0.192) 0.475 8.411 ( -0.000 -0.952 -1.022) 1.396 8.484 ( 0.000 1.129 0.154) 1.140 8.524 ( -0.000 1.525 -0.292) 1.552 8.589 ( 0.000 -1.291 0.032) 1.291 8.609 ( -0.000 -0.036 -0.476) 0.477 ======================= Grid point 226 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -7.242 9.240 6.191) 13.272 0.622 ( -2.825 13.056 3.524) 13.815 0.824 ( -0.927 8.355 -1.757) 8.588 1.020 ( -19.119 10.168 -1.264) 21.692 1.058 ( -5.844 0.666 -1.158) 5.995 1.101 ( -12.449 6.836 1.177) 14.251 1.190 ( -4.336 -0.878 -0.511) 4.454 1.222 ( -4.125 1.472 1.470) 4.620 1.622 ( 4.074 -1.303 -2.248) 4.832 1.662 ( 1.950 -2.152 -2.926) 4.122 1.727 ( -1.543 -0.811 -3.379) 3.802 1.769 ( -0.189 -1.378 0.153) 1.399 1.796 ( 1.018 -1.592 2.105) 2.829 1.821 ( -1.214 -3.761 0.956) 4.066 1.872 ( -1.195 -4.770 1.881) 5.265 1.964 ( 1.266 -1.391 -1.981) 2.732 2.016 ( 3.449 -2.034 2.613) 4.782 2.121 ( -1.900 -3.425 1.865) 4.338 2.197 ( 4.857 1.815 -0.488) 5.208 2.243 ( 5.174 2.073 1.565) 5.790 2.306 ( 3.929 1.424 -0.262) 4.188 2.354 ( 4.628 -1.204 -1.760) 5.095 2.410 ( 4.400 -0.068 1.455) 4.635 2.435 ( 6.050 -1.187 -1.110) 6.265 2.893 ( -6.015 -0.531 0.034) 6.039 2.900 ( 0.729 0.268 0.052) 0.779 2.912 ( -3.475 -0.323 0.661) 3.552 2.949 ( -6.858 -0.364 -0.318) 6.875 2.967 ( 0.733 0.444 -0.942) 1.274 3.038 ( -2.905 -0.668 -0.215) 2.989 4.039 ( 5.934 0.818 0.271) 5.996 4.063 ( 6.562 -0.127 0.022) 6.563 4.742 ( -2.987 0.135 0.068) 2.991 4.748 ( -3.294 -0.061 0.004) 3.295 4.975 ( -0.758 0.039 0.131) 0.770 4.987 ( -0.784 -0.217 -0.033) 0.815 5.031 ( -0.387 0.124 0.036) 0.408 5.041 ( -0.418 -0.024 -0.089) 0.428 5.453 ( -1.155 0.276 0.065) 1.190 5.467 ( -1.936 -0.384 -0.183) 1.982 7.605 ( -0.751 0.054 0.241) 0.790 7.630 ( -0.381 -0.434 -0.242) 0.626 8.368 ( -1.758 -0.538 0.100) 1.841 8.404 ( -0.474 -1.333 -0.780) 1.616 8.495 ( 0.080 0.893 0.057) 0.898 8.524 ( 1.211 0.973 -0.404) 1.605 8.537 ( 1.725 0.343 0.573) 1.850 8.661 ( -2.834 -1.327 -0.737) 3.215 ======================= Grid point 227 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -6.937 6.322 2.679) 9.761 0.773 ( -3.234 7.250 4.677) 9.214 0.881 ( -1.084 3.065 -1.383) 3.533 1.052 ( -0.550 -1.965 -2.326) 3.094 1.192 ( -3.671 -0.010 -2.925) 4.694 1.342 ( -7.440 1.151 3.066) 8.129 1.480 ( -15.642 1.380 0.264) 15.705 1.483 ( -19.007 2.127 0.763) 19.141 1.552 ( 1.604 -0.455 -1.969) 2.580 1.623 ( -1.676 1.439 0.074) 2.210 1.717 ( 2.007 -2.185 -2.379) 3.802 1.740 ( -1.079 -0.094 -2.335) 2.574 1.764 ( 1.420 -3.551 -0.028) 3.825 1.804 ( 1.735 -1.998 1.871) 3.241 1.871 ( 1.994 -0.059 1.230) 2.344 1.910 ( 1.122 0.544 5.634) 5.771 1.992 ( -0.691 0.835 -2.934) 3.128 2.077 ( 4.173 0.173 -1.216) 4.350 2.150 ( 5.524 -0.142 -1.625) 5.760 2.202 ( -0.553 1.360 1.630) 2.194 2.246 ( 2.089 0.273 -0.270) 2.124 2.286 ( 1.417 -1.051 1.189) 2.128 2.316 ( 3.513 0.692 -0.669) 3.643 2.358 ( 3.424 -0.287 1.102) 3.608 2.863 ( 3.006 0.232 -0.080) 3.016 2.901 ( 2.983 -0.377 -0.416) 3.035 3.007 ( -6.441 -0.460 0.229) 6.462 3.025 ( -5.459 -0.571 -0.145) 5.491 3.054 ( -5.477 -0.891 -1.211) 5.680 3.104 ( -4.294 0.241 1.152) 4.452 3.901 ( 10.138 0.376 -0.074) 10.145 3.910 ( 10.479 0.138 -0.002) 10.480 4.809 ( -4.026 0.152 0.057) 4.030 4.816 ( -4.222 -0.082 0.016) 4.222 4.994 ( -1.268 0.083 -0.005) 1.270 5.003 ( -1.123 -0.091 -0.000) 1.126 5.041 ( -0.700 0.121 0.047) 0.712 5.052 ( -0.764 -0.092 -0.046) 0.771 5.479 ( -1.509 0.153 0.147) 1.523 5.494 ( -1.583 -0.473 -0.226) 1.668 7.626 ( -1.442 0.084 0.235) 1.463 7.638 ( -0.948 -0.210 -0.115) 0.978 8.389 ( -1.321 -1.222 -0.091) 1.802 8.400 ( -0.615 -1.439 -0.376) 1.610 8.478 ( 1.322 -0.069 -0.345) 1.368 8.510 ( 1.074 0.132 1.085) 1.532 8.538 ( 0.310 2.502 -0.369) 2.548 8.674 ( -0.324 -1.529 -0.538) 1.653 ======================= Grid point 228 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -3.070 -1.533 -0.625) 3.488 0.880 ( -1.725 2.388 1.778) 3.441 0.925 ( -5.156 0.317 0.888) 5.241 1.056 ( -1.986 -0.611 -0.360) 2.108 1.241 ( -3.736 -0.556 -3.469) 5.129 1.459 ( -2.325 -0.724 2.441) 3.448 1.525 ( -0.177 -0.228 -3.323) 3.335 1.544 ( 0.809 1.154 0.897) 1.671 1.622 ( 2.455 -0.063 1.671) 2.971 1.683 ( 2.681 -2.036 2.356) 4.109 1.696 ( 2.847 0.404 1.858) 3.424 1.752 ( -5.349 -0.096 -0.177) 5.353 1.778 ( 1.090 0.247 0.738) 1.340 1.803 ( -1.750 -1.610 0.841) 2.522 1.884 ( 0.206 1.744 -3.295) 3.733 1.918 ( 1.533 1.228 -4.598) 5.000 1.984 ( 0.499 -0.361 -0.867) 1.064 2.055 ( -4.782 -0.941 -1.324) 5.050 2.133 ( -4.370 3.458 1.409) 5.748 2.192 ( 3.803 1.194 4.083) 5.706 2.247 ( -0.756 -0.984 0.395) 1.302 2.270 ( -1.692 0.755 -0.440) 1.904 2.346 ( -7.813 1.334 -0.267) 7.930 2.379 ( -6.403 -0.061 -0.080) 6.403 2.801 ( 3.602 -0.455 -0.636) 3.686 2.837 ( 3.741 -0.127 0.154) 3.746 3.103 ( -4.300 -0.740 -0.269) 4.371 3.104 ( -4.358 -0.381 -0.092) 4.376 3.124 ( -3.935 -0.707 -0.898) 4.097 3.183 ( -3.368 0.433 1.250) 3.619 3.697 ( 12.979 0.167 -0.298) 12.983 3.706 ( 12.902 0.223 0.046) 12.904 4.875 ( -3.439 -0.070 -0.266) 3.450 4.888 ( -3.769 0.038 0.194) 3.774 5.018 ( -1.267 0.058 -0.104) 1.273 5.023 ( -1.061 -0.004 -0.004) 1.061 5.056 ( -0.768 0.148 0.138) 0.795 5.064 ( -0.715 -0.160 -0.108) 0.740 5.505 ( -1.161 0.078 0.147) 1.172 5.513 ( -1.030 -0.329 -0.170) 1.095 7.653 ( -1.283 0.015 -0.072) 1.286 7.659 ( -1.553 0.061 0.099) 1.557 8.394 ( -0.677 -1.549 -0.332) 1.723 8.403 ( -0.793 -1.226 -0.274) 1.486 8.461 ( 0.757 0.518 0.210) 0.941 8.494 ( 1.109 -0.162 0.928) 1.455 8.547 ( 0.578 2.557 -0.665) 2.705 8.655 ( 0.825 -1.474 -0.288) 1.713 ======================= Grid point 229 (93/171) ======================= q-point: ( 0.70 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -7.325 -2.252 -1.260) 7.766 0.914 ( -3.414 -1.388 -1.486) 3.974 1.043 ( -6.458 -0.050 2.191) 6.820 1.090 ( -1.782 -0.857 0.545) 2.051 1.282 ( -2.967 -0.688 -3.370) 4.542 1.417 ( 4.335 -0.149 0.395) 4.356 1.517 ( 4.075 0.129 2.883) 4.993 1.543 ( -0.366 2.607 -1.994) 3.302 1.579 ( 6.139 0.810 0.764) 6.239 1.635 ( 1.838 -0.368 -0.196) 1.885 1.687 ( 5.025 0.765 -3.135) 5.972 1.697 ( -0.601 1.248 3.275) 3.556 1.762 ( 1.366 -1.004 0.617) 1.804 1.802 ( -0.418 -0.662 0.151) 0.798 1.854 ( 1.754 -1.243 0.489) 2.205 1.916 ( -2.033 -0.280 -2.339) 3.111 1.997 ( -2.475 0.939 -2.277) 3.491 2.073 ( 0.385 -2.381 -2.747) 3.655 2.127 ( 4.365 1.173 1.581) 4.788 2.248 ( -2.192 3.374 1.133) 4.180 2.261 ( -0.990 -1.373 1.677) 2.383 2.320 ( -2.389 0.095 -0.649) 2.477 2.581 ( -14.219 0.519 0.156) 14.229 2.586 ( -14.549 0.752 0.074) 14.568 2.743 ( 1.641 -0.518 -0.651) 1.840 2.777 ( 2.888 -0.054 0.288) 2.903 3.151 ( -2.315 -0.495 -0.804) 2.500 3.162 ( -2.338 -0.347 -0.129) 2.368 3.177 ( -2.496 -0.020 -0.215) 2.506 3.233 ( -1.502 0.232 0.910) 1.771 3.460 ( 13.247 0.061 -0.291) 13.250 3.471 ( 13.228 0.058 0.040) 13.228 4.923 ( -2.149 -0.101 -0.388) 2.186 4.943 ( -2.168 0.033 0.157) 2.174 5.036 ( -0.806 0.015 -0.112) 0.814 5.038 ( -0.581 -0.019 -0.067) 0.585 5.067 ( -0.225 0.051 0.017) 0.231 5.075 ( -0.683 -0.046 0.028) 0.685 5.521 ( -0.562 0.038 0.055) 0.566 5.525 ( -0.555 -0.149 -0.059) 0.578 7.669 ( -0.716 -0.040 -0.314) 0.783 7.686 ( -1.119 0.118 0.128) 1.133 8.395 ( -0.802 -1.120 -0.313) 1.412 8.406 ( -0.598 -0.842 -0.358) 1.093 8.458 ( 0.351 0.641 0.446) 0.856 8.479 ( 0.688 -0.319 0.690) 1.025 8.550 ( 0.635 2.290 -0.895) 2.539 8.629 ( 0.652 -1.319 -0.068) 1.473 ======================= Grid point 230 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -6.438 -0.143 -1.798) 6.686 1.000 ( -6.110 -0.510 -0.956) 6.206 1.093 ( 0.119 0.500 -0.012) 0.514 1.173 ( -3.950 -0.514 3.974) 5.627 1.311 ( -2.657 -0.706 -3.327) 4.316 1.331 ( 3.082 -0.435 -0.442) 3.144 1.418 ( 7.034 -0.075 0.009) 7.035 1.468 ( 4.293 -0.121 -0.187) 4.299 1.526 ( 3.905 2.390 -0.442) 4.600 1.599 ( -1.139 -1.083 -2.256) 2.749 1.661 ( -1.938 -0.141 -2.233) 2.960 1.734 ( -1.224 1.956 0.620) 2.389 1.777 ( -0.181 -0.619 6.340) 6.373 1.806 ( -0.668 -0.569 0.170) 0.893 1.839 ( -0.995 -1.140 0.348) 1.553 1.933 ( -1.388 0.321 -4.532) 4.751 1.994 ( 4.641 0.001 2.040) 5.069 2.039 ( -0.574 -0.406 -0.767) 1.041 2.076 ( 1.851 -0.258 -3.502) 3.970 2.260 ( 0.587 -0.246 1.144) 1.309 2.292 ( -0.681 0.951 0.549) 1.292 2.342 ( -0.293 0.001 -0.031) 0.294 2.707 ( 0.853 -0.123 -0.622) 1.063 2.719 ( 2.342 -0.085 -0.291) 2.361 2.751 ( 0.473 -0.109 0.169) 0.513 2.779 ( -1.461 0.212 0.741) 1.652 3.171 ( -0.502 -0.178 -0.658) 0.846 3.185 ( -0.582 -0.052 -0.179) 0.612 3.203 ( -0.476 0.118 -0.109) 0.502 3.245 ( 0.539 0.062 0.477) 0.722 3.311 ( -0.214 -0.008 -0.118) 0.245 3.320 ( 0.266 -0.041 0.034) 0.272 4.944 ( -0.366 -0.030 -0.294) 0.471 4.961 ( 0.262 -0.004 0.026) 0.263 5.042 ( 0.074 -0.034 -0.072) 0.109 5.043 ( 0.006 -0.010 -0.054) 0.056 5.066 ( 0.246 -0.028 -0.171) 0.300 5.084 ( -0.231 0.041 0.160) 0.284 5.525 ( 0.078 -0.006 -0.063) 0.101 5.532 ( -0.343 0.005 0.065) 0.349 7.673 ( 0.077 -0.065 -0.357) 0.371 7.696 ( 0.115 0.059 0.085) 0.155 8.405 ( -1.061 -0.388 -0.179) 1.144 8.409 ( -0.496 -0.483 -0.356) 0.779 8.461 ( 0.023 0.555 0.398) 0.684 8.471 ( 0.186 -0.403 0.413) 0.606 8.552 ( 0.200 1.548 -0.929) 1.816 8.618 ( -0.380 -0.898 0.188) 0.993 ======================= Grid point 231 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 12.714 -0.000 -1.674) 12.824 1.063 ( 2.712 -0.000 -0.272) 2.726 1.097 ( 1.643 -0.000 0.321) 1.674 1.163 ( 2.838 -0.000 3.319) 4.367 1.307 ( 0.463 -0.000 -3.515) 3.545 1.347 ( -0.644 0.000 -0.927) 1.129 1.417 ( -8.206 0.000 -0.384) 8.215 1.463 ( -6.726 0.000 0.726) 6.765 1.553 ( -5.454 0.000 -0.660) 5.494 1.582 ( 3.285 -0.000 -1.826) 3.758 1.710 ( -3.611 0.000 1.164) 3.794 1.764 ( 2.580 -0.000 2.651) 3.699 1.787 ( -4.847 0.000 -1.543) 5.087 1.818 ( -0.569 0.000 0.881) 1.049 1.879 ( -3.719 0.000 1.267) 3.929 1.898 ( 3.053 -0.000 -0.364) 3.074 1.963 ( 2.517 -0.000 0.898) 2.673 2.016 ( 2.738 -0.000 -0.927) 2.891 2.027 ( 0.880 -0.000 -4.205) 4.296 2.242 ( 2.587 -0.000 1.170) 2.839 2.307 ( -0.694 0.000 0.140) 0.708 2.329 ( 1.784 -0.000 0.042) 1.784 2.505 ( 17.401 -0.000 -0.306) 17.403 2.549 ( 14.537 -0.000 0.133) 14.538 2.762 ( -1.933 0.000 -0.185) 1.942 2.804 ( -3.094 0.000 0.391) 3.119 3.159 ( 1.593 -0.000 -0.300) 1.621 3.178 ( 1.369 -0.000 -0.099) 1.373 3.194 ( 1.471 -0.000 -0.166) 1.480 3.218 ( 2.741 -0.000 0.190) 2.747 3.459 ( -12.994 0.000 -0.043) 12.994 3.461 ( -12.655 0.000 -0.022) 12.655 4.932 ( 1.612 -0.000 -0.093) 1.615 4.934 ( 2.623 -0.000 -0.062) 2.624 5.035 ( 0.663 -0.000 -0.028) 0.664 5.035 ( 0.896 -0.000 -0.028) 0.897 5.059 ( 0.467 -0.000 -0.172) 0.497 5.083 ( 0.403 -0.000 0.132) 0.424 5.518 ( 0.690 -0.000 -0.106) 0.698 5.536 ( -0.079 0.000 0.122) 0.145 7.665 ( 0.598 -0.000 -0.196) 0.629 7.683 ( 1.323 -0.000 0.031) 1.323 8.411 ( -0.129 0.000 -0.238) 0.270 8.426 ( -1.438 0.000 -0.076) 1.440 8.468 ( -0.266 0.000 0.297) 0.399 8.469 ( -0.014 0.000 0.211) 0.211 8.557 ( -0.397 0.000 -0.707) 0.811 8.633 ( -1.474 0.000 0.373) 1.520 ======================= Grid point 232 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 13.075 -0.000 0.000) 13.075 1.062 ( 2.268 -0.000 0.000) 2.268 1.098 ( 1.467 -0.000 0.000) 1.467 1.179 ( 3.329 -0.000 0.000) 3.329 1.291 ( 0.195 -0.000 0.000) 0.195 1.343 ( -0.387 0.000 -0.000) 0.387 1.415 ( -8.313 0.000 -0.000) 8.313 1.466 ( -7.122 0.000 -0.000) 7.122 1.550 ( -5.595 0.000 -0.000) 5.595 1.574 ( 3.436 -0.000 0.000) 3.436 1.716 ( -3.751 0.000 -0.000) 3.751 1.776 ( 4.168 -0.000 0.000) 4.168 1.780 ( -4.985 0.000 -0.000) 4.985 1.821 ( -0.815 0.000 -0.000) 0.815 1.884 ( -4.183 0.000 -0.000) 4.183 1.895 ( 1.399 -0.000 0.000) 1.399 1.974 ( 5.296 -0.000 0.000) 5.296 2.004 ( -1.039 0.000 -0.000) 1.039 2.012 ( 3.079 -0.000 0.000) 3.079 2.247 ( 2.484 -0.000 0.000) 2.484 2.308 ( -0.739 0.000 -0.000) 0.739 2.329 ( 1.869 -0.000 0.000) 1.869 2.504 ( 17.467 -0.000 0.000) 17.467 2.550 ( 14.428 -0.000 0.000) 14.428 2.761 ( -1.892 0.000 -0.000) 1.892 2.805 ( -3.096 0.000 -0.000) 3.096 3.158 ( 1.555 -0.000 0.000) 1.555 3.178 ( 1.362 -0.000 0.000) 1.362 3.193 ( 1.488 -0.000 0.000) 1.488 3.219 ( 2.778 -0.000 0.000) 2.778 3.459 ( -13.002 0.000 -0.000) 13.002 3.461 ( -12.645 0.000 -0.000) 12.645 4.931 ( 1.576 -0.000 0.000) 1.576 4.934 ( 2.638 -0.000 0.000) 2.638 5.034 ( 0.648 -0.000 0.000) 0.648 5.034 ( 0.907 -0.000 0.000) 0.907 5.058 ( 0.469 -0.000 0.000) 0.469 5.084 ( 0.402 -0.000 0.000) 0.402 5.518 ( 0.706 -0.000 0.000) 0.706 5.537 ( -0.102 0.000 -0.000) 0.102 7.664 ( 0.569 -0.000 0.000) 0.569 7.684 ( 1.331 -0.000 0.000) 1.331 8.410 ( -0.121 0.000 -0.000) 0.121 8.426 ( -1.469 0.000 -0.000) 1.469 8.469 ( -0.141 0.000 -0.000) 0.141 8.470 ( -0.124 0.000 -0.000) 0.124 8.554 ( -0.410 0.000 -0.000) 0.410 8.634 ( -1.539 0.000 -0.000) 1.539 ======================= Grid point 236 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 0.000 7.930 11.605) 14.056 0.523 ( 0.000 15.436 2.769) 15.683 0.656 ( -0.000 16.638 0.737) 16.655 0.797 ( 0.000 12.240 3.941) 12.859 0.805 ( -0.000 10.163 -4.175) 10.987 1.050 ( 0.000 1.072 1.849) 2.137 1.156 ( -0.000 1.363 -0.807) 1.584 1.201 ( -0.000 -2.737 -4.098) 4.929 1.667 ( -0.000 -0.160 -3.702) 3.705 1.695 ( -0.000 -1.748 -1.503) 2.305 1.723 ( -0.000 -1.744 -0.704) 1.880 1.725 ( -0.000 -1.774 -2.034) 2.699 1.807 ( 0.000 -0.746 0.381) 0.838 1.851 ( 0.000 -0.669 0.243) 0.711 1.916 ( 0.000 -7.147 4.303) 8.343 1.976 ( -0.000 -4.124 -2.091) 4.624 2.099 ( 0.000 -2.552 1.830) 3.140 2.105 ( 0.000 -2.717 2.074) 3.418 2.262 ( 0.000 -0.575 2.445) 2.511 2.315 ( 0.000 2.323 0.473) 2.371 2.332 ( -0.000 2.158 -0.448) 2.204 2.419 ( 0.000 0.304 0.710) 0.772 2.421 ( 0.000 -2.649 -0.062) 2.650 2.524 ( -0.000 -0.624 -5.274) 5.311 2.833 ( 0.000 -0.504 -0.035) 0.505 2.856 ( -0.000 -0.955 -0.554) 1.104 2.875 ( 0.000 0.750 2.172) 2.298 2.917 ( 0.000 0.198 0.413) 0.459 2.973 ( -0.000 0.585 -1.269) 1.397 3.010 ( -0.000 -0.638 -1.575) 1.699 4.088 ( 0.000 1.086 0.650) 1.266 4.126 ( 0.000 -0.179 -0.023) 0.180 4.714 ( 0.000 0.027 0.017) 0.032 4.716 ( -0.000 -0.009 -0.029) 0.031 4.970 ( 0.000 -0.171 0.370) 0.407 4.981 ( -0.000 -0.238 -0.077) 0.250 5.027 ( 0.000 0.113 0.086) 0.142 5.037 ( -0.000 0.007 -0.302) 0.302 5.440 ( 0.000 0.325 0.062) 0.331 5.443 ( -0.000 0.295 -0.032) 0.297 7.599 ( 0.000 0.038 0.311) 0.314 7.628 ( -0.000 -0.402 -0.517) 0.654 8.347 ( 0.000 0.436 0.388) 0.584 8.400 ( -0.000 -0.475 -1.553) 1.624 8.486 ( 0.000 1.345 0.375) 1.396 8.520 ( -0.000 1.510 -0.541) 1.604 8.589 ( 0.000 -1.153 0.070) 1.155 8.604 ( -0.000 -0.012 -0.612) 0.612 ======================= Grid point 237 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -5.416 8.102 7.158) 12.092 0.660 ( -4.221 11.566 5.448) 13.464 0.807 ( -0.681 8.626 -2.262) 8.944 0.997 ( -12.873 5.450 -4.342) 14.638 1.058 ( -10.794 5.417 0.990) 12.118 1.112 ( -10.021 6.030 1.440) 11.784 1.186 ( -5.838 -0.142 -0.414) 5.855 1.231 ( -5.640 3.123 0.580) 6.473 1.605 ( 3.729 -2.209 -1.791) 4.689 1.642 ( 1.815 -1.567 -1.926) 3.076 1.699 ( -1.349 -0.626 -3.373) 3.687 1.760 ( -1.353 -2.012 -1.671) 2.944 1.817 ( 2.801 -5.197 1.749) 6.157 1.830 ( -2.005 -0.611 1.949) 2.862 1.886 ( -1.185 -3.427 1.262) 3.840 1.946 ( 0.259 -1.299 -2.272) 2.630 2.042 ( 4.087 -2.541 3.376) 5.879 2.137 ( -1.132 -2.952 1.776) 3.627 2.194 ( 6.031 2.653 -0.128) 6.590 2.258 ( 5.063 1.171 2.009) 5.571 2.304 ( 3.877 1.465 -0.337) 4.158 2.341 ( 4.678 -1.053 -1.443) 5.007 2.405 ( 6.783 -0.011 -2.453) 7.213 2.438 ( 2.160 -1.329 1.632) 3.016 2.894 ( -5.853 -0.597 0.152) 5.885 2.902 ( 0.779 0.184 0.404) 0.897 2.916 ( -3.914 -0.682 0.286) 3.983 2.946 ( -4.783 -0.157 -0.617) 4.826 2.959 ( -0.629 0.488 -0.696) 1.057 3.036 ( -3.463 -0.174 -0.375) 3.487 4.042 ( 6.092 0.704 0.414) 6.146 4.062 ( 6.628 -0.022 -0.093) 6.628 4.743 ( -3.052 0.125 0.101) 3.057 4.748 ( -3.256 -0.022 -0.020) 3.256 4.976 ( -0.691 -0.025 0.157) 0.709 4.987 ( -0.801 -0.206 -0.045) 0.828 5.031 ( -0.376 0.103 0.050) 0.394 5.040 ( -0.480 0.004 -0.112) 0.493 5.453 ( -1.212 0.239 0.099) 1.239 5.465 ( -1.813 -0.224 -0.234) 1.842 7.607 ( -0.730 0.063 0.367) 0.819 7.627 ( -0.441 -0.306 -0.369) 0.651 8.369 ( -1.633 -0.473 0.169) 1.709 8.396 ( -0.646 -1.011 -0.958) 1.536 8.496 ( 0.459 0.624 0.080) 0.779 8.521 ( 0.680 1.522 -0.309) 1.695 8.542 ( 1.823 0.148 0.509) 1.898 8.654 ( -2.764 -1.031 -0.846) 3.069 ======================= Grid point 238 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -5.630 4.791 3.254) 8.077 0.813 ( -2.875 5.815 4.179) 7.717 0.871 ( -1.546 4.493 -0.389) 4.767 1.028 ( -0.694 0.060 -3.624) 3.691 1.173 ( -3.282 -0.816 -1.596) 3.740 1.358 ( -7.885 1.309 0.759) 8.029 1.484 ( -15.464 1.583 0.593) 15.557 1.489 ( -17.772 1.361 0.454) 17.830 1.544 ( 0.801 -0.681 0.292) 1.091 1.621 ( -3.703 2.347 -0.322) 4.395 1.695 ( 1.273 -2.316 -2.939) 3.952 1.725 ( 0.045 -1.544 -1.234) 1.977 1.765 ( 0.663 -2.776 0.089) 2.856 1.820 ( 2.388 -1.134 1.863) 3.234 1.878 ( 2.282 -0.229 0.834) 2.440 1.959 ( 2.761 0.335 5.788) 6.422 1.968 ( -1.114 1.063 -2.976) 3.351 2.066 ( 4.496 0.648 -1.448) 4.768 2.135 ( 6.514 -0.324 -2.019) 6.828 2.215 ( -1.758 1.283 1.374) 2.574 2.245 ( 2.239 0.469 0.050) 2.288 2.289 ( 2.130 -1.728 -0.412) 2.774 2.315 ( 1.211 1.090 0.223) 1.644 2.368 ( 4.806 -0.388 1.246) 4.980 2.863 ( 3.127 -0.044 -0.084) 3.128 2.897 ( 2.936 0.029 -0.433) 2.968 3.009 ( -6.509 -0.565 0.335) 6.542 3.025 ( -5.361 -0.761 -0.023) 5.415 3.044 ( -5.475 -1.057 -1.181) 5.700 3.113 ( -4.491 0.582 0.904) 4.618 3.900 ( 10.270 0.249 -0.070) 10.273 3.910 ( 10.454 0.208 -0.007) 10.456 4.809 ( -3.917 0.092 0.070) 3.918 4.816 ( -4.286 -0.020 0.001) 4.286 4.994 ( -1.227 0.040 -0.005) 1.228 5.003 ( -1.127 -0.068 -0.001) 1.130 5.042 ( -0.747 0.063 0.051) 0.752 5.051 ( -0.735 -0.048 -0.050) 0.738 5.481 ( -1.549 0.082 0.202) 1.564 5.492 ( -1.557 -0.347 -0.280) 1.620 7.628 ( -1.381 0.072 0.296) 1.415 7.637 ( -0.987 -0.130 -0.176) 1.011 8.389 ( -1.197 -1.320 -0.089) 1.784 8.397 ( -0.737 -1.262 -0.395) 1.514 8.477 ( 1.179 0.008 -0.086) 1.182 8.518 ( 1.089 0.142 0.889) 1.413 8.534 ( 0.419 2.490 -0.394) 2.555 8.669 ( -0.413 -1.364 -0.549) 1.527 ======================= Grid point 239 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -2.393 -2.122 -0.348) 3.217 0.893 ( -0.111 1.447 1.203) 1.885 0.932 ( -5.789 0.470 0.710) 5.851 1.054 ( -2.580 1.159 -0.202) 2.836 1.218 ( -3.674 -1.343 -2.152) 4.465 1.469 ( -3.018 -0.290 0.181) 3.037 1.504 ( 1.830 -0.724 -1.666) 2.579 1.555 ( -0.582 0.113 1.528) 1.639 1.632 ( 1.785 -0.502 0.923) 2.071 1.699 ( 0.099 -0.334 1.019) 1.077 1.713 ( 4.468 0.101 2.771) 5.258 1.752 ( -4.334 0.979 0.195) 4.447 1.784 ( 2.717 0.609 0.629) 2.854 1.808 ( -1.992 -1.251 0.025) 2.352 1.859 ( -2.307 0.715 -2.460) 3.448 1.885 ( 2.290 0.555 -3.232) 4.000 1.976 ( 2.514 -0.457 -1.076) 2.772 2.043 ( -3.342 -2.232 -1.319) 4.229 2.145 ( -5.952 4.342 1.268) 7.476 2.222 ( 2.540 1.606 3.147) 4.352 2.250 ( -0.992 -0.832 0.317) 1.333 2.266 ( 0.089 0.906 -0.560) 1.069 2.343 ( -8.547 0.978 -0.516) 8.618 2.379 ( -6.318 -0.152 0.043) 6.320 2.796 ( 3.672 -0.699 -0.501) 3.771 2.838 ( 3.672 0.188 0.103) 3.678 3.099 ( -3.900 -0.947 -0.458) 4.039 3.106 ( -4.555 -0.443 0.313) 4.587 3.118 ( -4.200 -0.711 -0.687) 4.315 3.191 ( -3.281 0.554 0.825) 3.428 3.695 ( 12.994 0.128 -0.218) 12.996 3.706 ( 12.898 0.207 0.013) 12.900 4.873 ( -3.347 -0.118 -0.178) 3.354 4.889 ( -3.800 0.046 0.120) 3.802 5.017 ( -1.251 0.032 -0.078) 1.254 5.023 ( -1.041 -0.004 -0.009) 1.041 5.057 ( -0.851 0.080 0.147) 0.867 5.063 ( -0.650 -0.100 -0.123) 0.669 5.506 ( -1.150 0.010 0.189) 1.165 5.512 ( -1.051 -0.248 -0.208) 1.100 7.652 ( -1.124 -0.011 -0.050) 1.125 7.660 ( -1.635 0.069 0.071) 1.638 8.392 ( -0.693 -1.673 -0.201) 1.822 8.401 ( -0.706 -1.098 -0.299) 1.339 8.464 ( 0.651 0.588 0.315) 0.932 8.500 ( 1.107 -0.261 0.702) 1.336 8.541 ( 0.680 2.498 -0.615) 2.661 8.652 ( 0.763 -1.378 -0.242) 1.594 ======================= Grid point 240 (101/171) ======================= q-point: ( 0.80 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -7.360 -2.308 -0.645) 7.740 0.903 ( -2.689 -1.530 -1.032) 3.261 1.059 ( -7.570 -0.332 1.576) 7.739 1.093 ( -1.115 -0.301 0.184) 1.170 1.260 ( -2.976 -1.249 -1.922) 3.756 1.420 ( 4.517 -0.167 0.282) 4.529 1.528 ( -1.471 1.596 -1.162) 2.462 1.545 ( 4.229 0.678 3.355) 5.441 1.584 ( 6.556 0.850 0.296) 6.617 1.629 ( 2.839 -0.822 -1.095) 3.152 1.653 ( 6.173 0.808 -3.651) 7.217 1.723 ( 1.148 2.237 1.519) 2.938 1.776 ( -1.618 -0.835 3.048) 3.550 1.803 ( -0.602 -0.648 -0.041) 0.885 1.860 ( 1.355 -0.881 0.362) 1.656 1.896 ( -0.283 -0.421 -2.133) 2.192 1.981 ( -4.164 0.441 -1.483) 4.442 2.052 ( -0.617 -3.123 -2.074) 3.800 2.139 ( 6.033 1.354 1.114) 6.283 2.253 ( -1.119 2.636 0.292) 2.879 2.277 ( -1.825 -1.170 1.831) 2.837 2.313 ( -2.426 0.744 -0.940) 2.706 2.582 ( -14.066 0.362 0.071) 14.071 2.586 ( -14.761 0.811 0.057) 14.784 2.738 ( 1.460 -0.540 -0.363) 1.598 2.779 ( 2.981 0.052 0.144) 2.985 3.146 ( -2.326 -0.615 -0.469) 2.452 3.161 ( -2.261 -0.386 -0.080) 2.295 3.176 ( -2.605 -0.031 -0.085) 2.606 3.238 ( -1.404 0.299 0.488) 1.516 3.458 ( 13.232 0.040 -0.171) 13.233 3.471 ( 13.213 0.053 0.013) 13.214 4.920 ( -2.136 -0.141 -0.216) 2.151 4.944 ( -2.147 0.024 0.073) 2.148 5.035 ( -0.816 0.005 -0.068) 0.819 5.037 ( -0.567 -0.033 -0.041) 0.569 5.067 ( -0.137 -0.021 0.008) 0.138 5.075 ( -0.766 0.023 0.018) 0.767 5.521 ( -0.504 -0.016 0.046) 0.507 5.524 ( -0.616 -0.094 -0.049) 0.625 7.667 ( -0.658 -0.084 -0.174) 0.686 7.687 ( -1.118 0.116 0.060) 1.125 8.393 ( -0.853 -1.242 -0.173) 1.517 8.404 ( -0.534 -0.699 -0.228) 0.908 8.461 ( 0.362 0.683 0.323) 0.838 8.484 ( 0.707 -0.467 0.435) 0.953 8.543 ( 0.661 2.201 -0.617) 2.379 8.629 ( 0.604 -1.219 -0.049) 1.362 ======================= Grid point 241 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -6.774 -0.529 -0.729) 6.833 0.996 ( -6.015 -0.222 -0.261) 6.025 1.093 ( 0.508 0.303 -0.062) 0.595 1.200 ( -5.209 0.034 2.275) 5.684 1.287 ( -2.017 -1.135 -2.041) 3.086 1.328 ( 3.269 -0.442 -0.135) 3.301 1.419 ( 8.381 -0.321 0.050) 8.387 1.467 ( 4.157 0.070 -0.079) 4.158 1.523 ( 4.104 2.631 -0.160) 4.878 1.586 ( -0.938 -1.227 -0.809) 1.743 1.649 ( -3.597 -0.513 -0.808) 3.722 1.734 ( -0.829 1.391 -0.147) 1.626 1.807 ( -0.645 -0.184 0.024) 0.671 1.833 ( 0.351 0.297 6.447) 6.464 1.842 ( -1.275 -1.603 0.654) 2.150 1.888 ( -0.730 0.476 -6.167) 6.228 2.014 ( 2.034 -0.852 2.330) 3.208 2.032 ( -0.631 0.014 -1.082) 1.252 2.052 ( 3.673 -0.229 -1.908) 4.146 2.266 ( 0.517 0.435 0.332) 0.753 2.296 ( -0.596 -0.195 0.322) 0.705 2.341 ( -0.352 0.516 -0.075) 0.630 2.704 ( 0.787 -0.165 -0.230) 0.837 2.718 ( 2.491 -0.097 -0.092) 2.494 2.752 ( 0.511 -0.107 0.056) 0.525 2.783 ( -1.590 0.261 0.266) 1.633 3.167 ( -0.569 -0.226 -0.242) 0.658 3.184 ( -0.587 -0.052 -0.067) 0.593 3.203 ( -0.447 0.094 -0.034) 0.458 3.248 ( 0.644 0.094 0.163) 0.671 3.311 ( -0.283 -0.018 -0.043) 0.287 3.320 ( 0.281 -0.039 0.010) 0.284 4.942 ( -0.406 -0.052 -0.107) 0.423 4.961 ( 0.297 -0.004 0.004) 0.297 5.041 ( 0.067 -0.041 -0.027) 0.083 5.043 ( -0.013 -0.014 -0.022) 0.029 5.065 ( 0.287 -0.037 -0.058) 0.295 5.085 ( -0.250 0.049 0.055) 0.260 5.525 ( 0.102 -0.010 -0.022) 0.104 5.532 ( -0.369 0.009 0.022) 0.370 7.671 ( 0.076 -0.088 -0.128) 0.173 7.697 ( 0.120 0.059 0.024) 0.136 8.404 ( -1.205 -0.542 -0.055) 1.322 8.407 ( -0.369 -0.324 -0.142) 0.511 8.463 ( 0.061 0.616 0.161) 0.640 8.474 ( 0.190 -0.516 0.164) 0.574 8.547 ( 0.198 1.470 -0.367) 1.527 8.619 ( -0.445 -0.811 0.061) 0.927 ======================= Grid point 247 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 7.205 11.258) 13.366 0.549 ( 0.000 14.692 3.565) 15.118 0.655 ( -0.000 13.645 -0.888) 13.673 0.765 ( -0.000 9.740 -5.597) 11.233 0.843 ( 0.000 12.873 7.326) 14.811 1.065 ( 0.000 0.558 1.601) 1.695 1.147 ( -0.000 1.582 -1.346) 2.078 1.158 ( -0.000 0.693 -6.112) 6.151 1.645 ( -0.000 -1.064 -1.552) 1.882 1.680 ( -0.000 -1.429 -2.030) 2.483 1.711 ( -0.000 -2.807 -1.370) 3.124 1.717 ( -0.000 -2.805 -0.867) 2.936 1.813 ( 0.000 0.791 0.950) 1.236 1.850 ( -0.000 0.250 -0.487) 0.547 1.941 ( 0.000 -8.373 1.945) 8.596 1.963 ( -0.000 -5.306 -1.236) 5.448 2.115 ( 0.000 -1.367 1.980) 2.406 2.121 ( 0.000 -1.488 1.629) 2.206 2.285 ( 0.000 -0.672 2.885) 2.962 2.321 ( 0.000 2.052 1.092) 2.325 2.328 ( -0.000 2.011 -0.582) 2.094 2.419 ( -0.000 -1.859 -0.834) 2.037 2.425 ( 0.000 -0.045 0.752) 0.753 2.479 ( -0.000 -0.079 -5.150) 5.150 2.834 ( 0.000 -0.617 0.216) 0.654 2.851 ( -0.000 -0.929 -0.658) 1.138 2.895 ( 0.000 0.622 2.581) 2.655 2.921 ( 0.000 0.176 0.571) 0.597 2.962 ( -0.000 0.660 -1.223) 1.390 2.994 ( -0.000 -0.221 -2.174) 2.185 4.095 ( 0.000 0.995 0.894) 1.338 4.124 ( -0.000 0.072 -0.439) 0.445 4.714 ( 0.000 0.034 0.026) 0.042 4.715 ( -0.000 0.007 -0.038) 0.039 4.973 ( 0.000 -0.269 0.345) 0.438 4.980 ( -0.000 -0.247 -0.113) 0.272 5.028 ( 0.000 0.116 0.128) 0.173 5.035 ( -0.000 0.080 -0.311) 0.321 5.440 ( 0.000 0.325 0.070) 0.332 5.443 ( -0.000 0.303 -0.046) 0.307 7.602 ( 0.000 0.060 0.464) 0.468 7.623 ( -0.000 -0.260 -0.664) 0.714 8.351 ( 0.000 0.430 0.593) 0.732 8.387 ( -0.000 -0.051 -1.572) 1.573 8.490 ( 0.000 1.472 0.588) 1.585 8.515 ( -0.000 1.500 -0.717) 1.663 8.590 ( 0.000 -0.959 0.121) 0.967 8.600 ( -0.000 -0.120 -0.528) 0.542 ======================= Grid point 248 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -3.656 8.270 6.243) 10.988 0.702 ( -5.379 8.606 3.636) 10.780 0.795 ( -1.409 8.719 0.423) 8.843 0.954 ( -8.984 4.507 -5.979) 11.695 1.070 ( -12.819 7.340 1.722) 14.872 1.121 ( -6.539 4.405 0.712) 7.917 1.185 ( -8.559 1.907 0.392) 8.777 1.230 ( -6.905 3.938 -0.866) 7.996 1.596 ( 3.203 -2.798 -0.217) 4.258 1.630 ( 1.809 -1.419 -1.074) 2.538 1.673 ( -0.995 -0.565 -2.909) 3.126 1.746 ( -1.521 -2.077 -1.580) 3.021 1.823 ( 1.667 -7.461 0.158) 7.646 1.853 ( -1.073 1.836 2.994) 3.672 1.893 ( -1.537 -1.967 0.367) 2.523 1.928 ( 0.471 -2.443 -2.037) 3.215 2.068 ( 3.751 -2.725 2.656) 5.343 2.149 ( -0.106 -2.730 1.146) 2.963 2.195 ( 6.664 3.464 0.193) 7.513 2.276 ( 5.830 0.418 2.357) 6.302 2.301 ( 3.845 1.588 -0.297) 4.171 2.330 ( 4.882 -0.605 -1.221) 5.069 2.381 ( 5.085 -0.618 -2.939) 5.906 2.451 ( 1.711 -1.139 1.374) 2.472 2.896 ( -5.599 -0.745 0.329) 5.658 2.906 ( 0.639 0.054 0.487) 0.805 2.916 ( -4.699 -0.790 -0.074) 4.765 2.938 ( -1.279 0.204 -1.114) 1.708 2.957 ( -2.812 0.138 0.129) 2.818 3.032 ( -4.131 0.417 -0.403) 4.172 4.046 ( 6.309 0.536 0.469) 6.349 4.061 ( 6.601 0.154 -0.237) 6.607 4.744 ( -3.149 0.103 0.108) 3.153 4.748 ( -3.187 0.033 -0.049) 3.187 4.978 ( -0.623 -0.081 0.125) 0.640 4.987 ( -0.823 -0.193 -0.041) 0.846 5.031 ( -0.360 0.078 0.047) 0.371 5.040 ( -0.545 0.034 -0.094) 0.554 5.454 ( -1.294 0.182 0.109) 1.311 5.463 ( -1.665 -0.058 -0.210) 1.679 7.610 ( -0.691 0.046 0.443) 0.822 7.624 ( -0.517 -0.151 -0.445) 0.699 8.370 ( -1.437 -0.395 0.229) 1.508 8.389 ( -0.866 -0.754 -0.828) 1.416 8.496 ( 0.835 0.370 0.071) 0.916 8.519 ( 0.283 1.910 -0.199) 1.941 8.545 ( 1.785 0.121 0.358) 1.825 8.648 ( -2.673 -0.814 -0.643) 2.867 ======================= Grid point 249 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -4.095 3.860 3.162) 6.455 0.822 ( -4.022 2.926 -1.497) 5.194 0.892 ( -0.356 6.398 4.921) 8.080 0.994 ( -1.493 2.487 -4.545) 5.392 1.164 ( -2.939 -1.479 -0.616) 3.347 1.358 ( -7.658 1.234 -0.369) 7.766 1.488 ( -13.649 -0.055 0.268) 13.651 1.491 ( -19.174 3.005 0.258) 19.409 1.553 ( 0.691 -1.310 1.369) 2.017 1.619 ( -5.171 2.578 -0.032) 5.778 1.672 ( -0.143 -1.557 -2.344) 2.818 1.718 ( 1.072 -2.666 -0.527) 2.921 1.766 ( 0.108 -1.798 0.077) 1.803 1.832 ( 3.313 -1.164 0.936) 3.634 1.887 ( 3.226 -0.469 1.180) 3.467 1.945 ( -1.028 0.985 -2.415) 2.803 2.003 ( 2.711 0.645 4.816) 5.564 2.053 ( 4.004 0.935 -1.667) 4.437 2.118 ( 7.608 -0.386 -1.889) 7.849 2.224 ( -2.301 1.091 0.757) 2.657 2.246 ( 2.312 0.988 0.277) 2.529 2.283 ( 2.989 -1.995 -0.783) 3.678 2.317 ( -0.684 0.849 0.272) 1.124 2.377 ( 5.676 -0.430 0.851) 5.755 2.862 ( 3.260 -0.313 -0.052) 3.276 2.894 ( 2.846 0.399 -0.279) 2.888 3.012 ( -6.548 -0.674 0.341) 6.591 3.025 ( -5.306 -0.924 0.186) 5.389 3.035 ( -5.493 -1.090 -0.992) 5.687 3.119 ( -4.603 0.795 0.491) 4.697 3.900 ( 10.377 0.149 -0.042) 10.378 3.910 ( 10.432 0.262 -0.007) 10.435 4.810 ( -3.810 0.032 0.051) 3.811 4.816 ( -4.356 0.044 -0.008) 4.356 4.994 ( -1.196 0.006 -0.004) 1.196 5.003 ( -1.131 -0.051 -0.001) 1.132 5.042 ( -0.791 0.010 0.034) 0.792 5.051 ( -0.705 -0.005 -0.033) 0.706 5.483 ( -1.613 -0.018 0.205) 1.626 5.490 ( -1.505 -0.204 -0.252) 1.540 7.630 ( -1.329 0.036 0.301) 1.363 7.635 ( -1.023 -0.040 -0.227) 1.049 8.388 ( -1.113 -1.394 -0.053) 1.785 8.394 ( -0.809 -1.132 -0.250) 1.413 8.477 ( 1.047 0.061 0.024) 1.049 8.524 ( 1.124 0.163 0.513) 1.246 8.532 ( 0.496 2.483 -0.266) 2.546 8.665 ( -0.482 -1.239 -0.346) 1.374 ======================= Grid point 250 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -1.977 -2.441 -0.108) 3.143 0.899 ( 0.859 0.588 0.399) 1.115 0.936 ( -6.081 0.712 0.278) 6.129 1.053 ( -3.023 2.386 -0.046) 3.852 1.206 ( -3.595 -1.829 -0.716) 4.097 1.466 ( -4.348 -0.088 -0.465) 4.374 1.497 ( 3.615 -0.937 -0.206) 3.740 1.565 ( -1.380 -0.652 0.692) 1.676 1.637 ( 1.655 -0.860 0.284) 1.886 1.702 ( -0.033 0.504 0.053) 0.508 1.737 ( 4.781 0.695 2.567) 5.471 1.752 ( -2.725 1.518 -0.385) 3.143 1.787 ( 0.925 1.202 0.023) 1.517 1.802 ( 0.480 -0.828 -0.869) 1.293 1.848 ( -7.613 -0.748 -0.290) 7.655 1.866 ( 4.840 0.154 -1.341) 5.025 1.969 ( 3.211 -0.429 -0.512) 3.280 2.035 ( -2.019 -2.987 -0.536) 3.645 2.152 ( -6.770 4.821 0.535) 8.328 2.241 ( -0.911 1.804 1.277) 2.391 2.252 ( -1.563 -0.667 0.089) 1.702 2.262 ( 4.725 0.874 -0.293) 4.814 2.339 ( -9.419 0.768 -0.310) 9.455 2.380 ( -6.263 -0.242 0.043) 6.268 2.793 ( 3.706 -0.819 -0.190) 3.800 2.839 ( 3.636 0.352 0.035) 3.654 3.096 ( -3.825 -1.067 -0.170) 3.975 3.109 ( -4.409 -0.600 0.405) 4.468 3.113 ( -4.449 -0.586 -0.525) 4.518 3.196 ( -3.236 0.613 0.288) 3.306 3.694 ( 13.002 0.104 -0.080) 13.003 3.706 ( 12.897 0.196 0.002) 12.899 4.872 ( -3.297 -0.145 -0.063) 3.301 4.890 ( -3.813 0.048 0.040) 3.813 5.016 ( -1.242 0.018 -0.029) 1.242 5.023 ( -1.029 -0.006 -0.004) 1.029 5.058 ( -0.963 0.011 0.082) 0.966 5.062 ( -0.548 -0.035 -0.073) 0.554 5.508 ( -1.152 -0.078 0.202) 1.172 5.510 ( -1.055 -0.153 -0.209) 1.087 7.652 ( -1.040 -0.024 -0.018) 1.040 7.660 ( -1.671 0.072 0.026) 1.673 8.391 ( -0.707 -1.775 -0.063) 1.912 8.399 ( -0.656 -0.989 -0.128) 1.194 8.466 ( 0.593 0.621 0.148) 0.871 8.505 ( 1.081 -0.343 0.273) 1.167 8.538 ( 0.769 2.490 -0.265) 2.620 8.651 ( 0.724 -1.319 -0.095) 1.507 ======================= Grid point 251 (107/171) ======================= q-point: (-0.10 -0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -7.379 -2.330 0.000) 7.738 0.898 ( -2.447 -1.596 0.000) 2.922 1.066 ( -8.280 -0.474 -0.000) 8.294 1.093 ( -0.564 -0.021 -0.000) 0.565 1.252 ( -2.923 -1.468 0.000) 3.271 1.422 ( 4.559 -0.197 0.000) 4.563 1.522 ( -1.757 1.539 -0.000) 2.335 1.567 ( 4.011 1.951 -0.000) 4.460 1.581 ( 6.203 -0.562 0.000) 6.228 1.621 ( 3.379 -1.825 0.000) 3.840 1.638 ( 7.097 1.854 0.000) 7.335 1.728 ( 1.701 2.286 -0.000) 2.850 1.796 ( -1.573 -1.373 0.000) 2.088 1.800 ( -2.534 -0.134 -0.000) 2.538 1.858 ( 0.498 0.179 -0.000) 0.529 1.887 ( 2.259 -1.035 0.000) 2.484 1.974 ( -5.106 0.202 -0.000) 5.110 2.043 ( -0.831 -3.399 0.000) 3.499 2.143 ( 6.435 1.379 0.000) 6.581 2.254 ( -0.916 2.343 -0.000) 2.516 2.286 ( -1.861 -1.613 0.000) 2.463 2.308 ( -2.518 1.513 -0.000) 2.937 2.582 ( -14.039 0.313 -0.000) 14.042 2.587 ( -14.808 0.819 -0.000) 14.830 2.737 ( 1.386 -0.543 0.000) 1.489 2.779 ( 3.015 0.090 0.000) 3.016 3.144 ( -2.333 -0.663 0.000) 2.425 3.161 ( -2.234 -0.400 -0.000) 2.270 3.176 ( -2.638 -0.032 -0.000) 2.638 3.240 ( -1.370 0.320 -0.000) 1.407 3.457 ( 13.226 0.032 0.000) 13.226 3.471 ( 13.208 0.050 0.000) 13.208 4.919 ( -2.131 -0.156 -0.000) 2.136 4.944 ( -2.139 0.020 -0.000) 2.139 5.035 ( -0.820 0.002 -0.000) 0.820 5.037 ( -0.562 -0.039 -0.000) 0.564 5.067 ( -0.105 -0.047 0.000) 0.114 5.075 ( -0.797 0.049 -0.000) 0.798 5.522 ( -0.465 -0.047 -0.000) 0.468 5.524 ( -0.655 -0.062 -0.000) 0.658 7.667 ( -0.637 -0.099 -0.000) 0.645 7.687 ( -1.116 0.114 -0.000) 1.122 8.392 ( -0.871 -1.290 0.000) 1.556 8.403 ( -0.514 -0.646 0.000) 0.826 8.463 ( 0.372 0.703 -0.000) 0.795 8.486 ( 0.710 -0.536 0.000) 0.890 8.541 ( 0.673 2.182 -0.000) 2.283 8.628 ( 0.586 -1.184 0.000) 1.321 ======================= Grid point 259 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.000 8.648 9.109) 12.560 0.579 ( 0.000 14.041 3.745) 14.532 0.642 ( -0.000 11.562 -1.923) 11.721 0.714 ( -0.000 8.921 -6.757) 11.191 0.914 ( 0.000 10.774 9.737) 14.522 1.062 ( -0.000 1.412 -4.487) 4.704 1.115 ( 0.000 3.509 -2.292) 4.192 1.134 ( -0.000 1.771 -1.770) 2.504 1.640 ( 0.000 -1.544 0.295) 1.571 1.663 ( 0.000 -1.508 -2.017) 2.519 1.704 ( 0.000 -3.331 -0.414) 3.357 1.709 ( -0.000 -3.483 -0.869) 3.589 1.822 ( -0.000 1.604 1.305) 2.068 1.843 ( 0.000 1.028 -1.085) 1.494 1.951 ( 0.000 -8.464 0.589) 8.485 1.956 ( 0.000 -6.572 -0.463) 6.588 2.129 ( 0.000 -0.628 1.237) 1.388 2.131 ( -0.000 -0.660 0.883) 1.103 2.305 ( 0.000 0.319 1.850) 1.877 2.322 ( -0.000 1.797 -0.698) 1.927 2.337 ( 0.000 1.101 2.948) 3.147 2.402 ( -0.000 -0.328 -3.465) 3.481 2.431 ( -0.000 -0.515 0.669) 0.844 2.447 ( 0.000 -0.848 -2.324) 2.474 2.836 ( 0.000 -0.716 0.418) 0.829 2.845 ( -0.000 -0.876 -0.652) 1.092 2.916 ( 0.000 0.272 2.352) 2.367 2.926 ( -0.000 0.091 0.591) 0.598 2.954 ( 0.000 0.805 -0.628) 1.021 2.975 ( -0.000 0.288 -2.452) 2.469 4.103 ( 0.000 0.853 1.030) 1.337 4.119 ( -0.000 0.378 -0.810) 0.894 4.714 ( 0.000 0.037 0.034) 0.050 4.715 ( -0.000 0.023 -0.041) 0.047 4.976 ( -0.000 -0.297 0.273) 0.403 4.979 ( 0.000 -0.264 -0.153) 0.305 5.029 ( 0.000 0.119 0.173) 0.210 5.032 ( -0.000 0.113 -0.272) 0.295 5.441 ( -0.000 0.323 0.071) 0.331 5.442 ( 0.000 0.312 -0.058) 0.317 7.606 ( 0.000 0.050 0.599) 0.601 7.618 ( -0.000 -0.119 -0.721) 0.730 8.357 ( 0.000 0.403 0.818) 0.912 8.374 ( 0.000 0.205 -1.348) 1.363 8.496 ( -0.000 1.514 0.738) 1.684 8.509 ( -0.000 1.504 -0.808) 1.707 8.591 ( -0.000 -0.740 0.191) 0.764 8.596 ( 0.000 -0.305 -0.399) 0.502 ======================= Grid point 260 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -2.881 9.493 3.991) 10.693 0.705 ( -3.477 6.607 -1.786) 7.677 0.822 ( -5.916 6.441 4.857) 10.004 0.904 ( -5.685 6.124 -5.467) 9.986 1.083 ( -14.132 8.590 1.022) 16.569 1.123 ( -2.841 1.836 -0.188) 3.388 1.193 ( -11.559 5.053 1.152) 12.668 1.220 ( -7.017 3.305 -1.334) 7.871 1.598 ( 2.867 -3.249 0.367) 4.348 1.625 ( 1.741 -1.338 -0.162) 2.201 1.654 ( -0.729 -0.370 -1.527) 1.732 1.737 ( -1.510 -2.089 -0.645) 2.657 1.823 ( 1.361 -7.546 0.022) 7.667 1.875 ( -1.577 2.504 2.249) 3.717 1.891 ( -1.624 0.725 -0.775) 1.940 1.915 ( 1.122 -5.415 -1.024) 5.624 2.083 ( 3.346 -2.855 0.988) 4.508 2.155 ( 0.732 -2.694 0.378) 2.817 2.196 ( 6.791 4.036 0.145) 7.901 2.295 ( 7.782 -0.616 2.005) 8.060 2.299 ( 4.009 1.619 -0.115) 4.325 2.320 ( 4.480 1.093 -1.276) 4.784 2.362 ( 2.957 -1.695 -1.440) 3.700 2.459 ( 1.530 -1.088 0.498) 1.943 2.899 ( -6.014 -0.950 0.256) 6.094 2.908 ( 0.622 -0.303 0.036) 0.693 2.917 ( -5.413 -0.432 0.255) 5.436 2.930 ( 0.615 0.435 -0.769) 1.076 2.959 ( -3.042 -0.206 0.166) 3.054 3.030 ( -4.634 0.858 -0.183) 4.717 4.049 ( 6.547 0.331 0.279) 6.561 4.059 ( 6.466 0.372 -0.197) 6.479 4.745 ( -3.263 0.068 0.058) 3.264 4.747 ( -3.089 0.090 -0.037) 3.091 4.978 ( -0.578 -0.113 0.048) 0.591 4.986 ( -0.842 -0.185 -0.017) 0.862 5.032 ( -0.344 0.059 0.020) 0.350 5.039 ( -0.588 0.055 -0.038) 0.592 5.455 ( -1.376 0.121 0.056) 1.382 5.462 ( -1.542 0.064 -0.093) 1.547 7.614 ( -0.628 -0.036 0.360) 0.725 7.620 ( -0.602 0.017 -0.361) 0.702 8.372 ( -1.201 -0.320 0.165) 1.253 8.383 ( -1.108 -0.644 -0.385) 1.339 8.497 ( 1.073 0.214 0.028) 1.094 8.518 ( 0.058 2.122 -0.069) 2.124 8.548 ( 1.734 0.141 0.130) 1.744 8.644 ( -2.607 -0.713 -0.238) 2.713 ======================= Grid point 261 (110/171) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -2.566 3.484 -0.000) 4.327 0.811 ( -5.493 2.817 -0.000) 6.173 0.924 ( 2.222 5.163 -0.000) 5.620 0.965 ( -3.844 4.419 -0.000) 5.857 1.162 ( -2.805 -1.726 0.000) 3.294 1.356 ( -7.452 1.147 -0.000) 7.539 1.489 ( -12.528 -1.337 -0.000) 12.599 1.493 ( -20.481 4.518 -0.000) 20.974 1.560 ( 1.176 -1.899 0.000) 2.233 1.620 ( -5.957 2.672 -0.000) 6.529 1.661 ( -0.620 -1.245 0.000) 1.391 1.716 ( 1.277 -2.923 0.000) 3.190 1.766 ( -0.099 -1.323 0.000) 1.327 1.836 ( 3.863 -1.463 0.000) 4.131 1.893 ( 3.977 -0.406 0.000) 3.998 1.933 ( -1.660 0.979 -0.000) 1.927 2.035 ( 7.863 0.712 0.000) 7.895 2.036 ( -1.721 1.065 -0.000) 2.023 2.109 ( 8.466 -0.408 0.000) 8.475 2.227 ( -2.344 0.934 -0.000) 2.523 2.248 ( 2.136 1.465 -0.000) 2.590 2.279 ( 3.284 -2.271 0.000) 3.993 2.318 ( -1.213 0.728 -0.000) 1.415 2.381 ( 5.930 -0.439 0.000) 5.947 2.862 ( 3.322 -0.430 0.000) 3.350 2.893 ( 2.797 0.554 0.000) 2.851 3.014 ( -6.552 -0.721 -0.000) 6.591 3.028 ( -4.696 -1.010 -0.000) 4.804 3.028 ( -6.099 -1.064 -0.000) 6.191 3.121 ( -4.640 0.868 -0.000) 4.721 3.899 ( 10.418 0.110 0.000) 10.418 3.910 ( 10.422 0.282 0.000) 10.426 4.810 ( -3.762 0.005 -0.000) 3.762 4.816 ( -4.391 0.072 -0.000) 4.391 4.994 ( -1.184 -0.007 -0.000) 1.184 5.003 ( -1.132 -0.045 -0.000) 1.133 5.042 ( -0.810 -0.013 -0.000) 0.810 5.051 ( -0.692 0.014 -0.000) 0.693 5.484 ( -1.676 -0.099 -0.000) 1.679 5.488 ( -1.446 -0.107 -0.000) 1.450 7.632 ( -1.397 -0.043 -0.000) 1.397 7.634 ( -0.949 0.061 -0.000) 0.951 8.388 ( -1.087 -1.421 0.000) 1.789 8.393 ( -0.829 -1.084 0.000) 1.364 8.477 ( 0.991 0.080 0.000) 0.995 8.526 ( 1.182 0.146 0.000) 1.191 8.530 ( 0.485 2.507 -0.000) 2.554 8.664 ( -0.508 -1.194 0.000) 1.298 ======================= Grid point 267 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 10.170 -0.000 3.719) 10.828 1.064 ( 5.551 -0.000 -0.725) 5.598 1.089 ( 2.811 -0.000 -0.480) 2.851 1.102 ( 1.902 -0.000 -3.094) 3.632 1.370 ( -4.290 0.000 2.769) 5.107 1.378 ( 1.702 -0.000 3.299) 3.712 1.424 ( -7.908 0.000 0.109) 7.909 1.446 ( -4.215 0.000 -1.220) 4.388 1.574 ( -4.783 0.000 1.804) 5.112 1.619 ( 3.126 -0.000 1.341) 3.402 1.695 ( -1.268 0.000 -0.188) 1.281 1.719 ( -3.132 0.000 -1.511) 3.477 1.786 ( 0.584 -0.000 -2.750) 2.811 1.805 ( -5.759 0.000 -0.678) 5.799 1.856 ( -0.359 0.000 -0.301) 0.468 1.887 ( 3.416 -0.000 -1.021) 3.566 1.990 ( 1.574 -0.000 2.905) 3.304 2.034 ( 1.551 -0.000 0.805) 1.747 2.101 ( 1.814 -0.000 4.320) 4.686 2.210 ( 2.928 -0.000 -2.593) 3.911 2.305 ( -0.277 0.000 0.015) 0.278 2.324 ( 1.323 -0.000 -0.637) 1.468 2.515 ( 16.919 -0.000 0.854) 16.941 2.544 ( 15.260 -0.000 -0.567) 15.270 2.768 ( -2.238 0.000 0.537) 2.302 2.793 ( -3.017 0.000 -0.842) 3.133 3.168 ( 1.792 -0.000 0.655) 1.908 3.180 ( 1.477 -0.000 0.055) 1.478 3.199 ( 1.442 -0.000 0.345) 1.482 3.212 ( 2.417 -0.000 -0.458) 2.460 3.460 ( -12.938 0.000 0.082) 12.938 3.461 ( -12.729 0.000 0.021) 12.729 4.934 ( 1.864 -0.000 0.165) 1.871 4.936 ( 2.489 -0.000 0.086) 2.491 5.035 ( 0.751 -0.000 0.045) 0.753 5.035 ( 0.835 -0.000 0.044) 0.836 5.064 ( 0.449 -0.000 0.430) 0.622 5.079 ( 0.410 -0.000 -0.366) 0.549 5.521 ( 0.564 -0.000 0.286) 0.632 5.533 ( 0.090 -0.000 -0.312) 0.325 7.671 ( 0.800 -0.000 0.432) 0.909 7.682 ( 1.247 -0.000 -0.165) 1.258 8.418 ( -0.237 0.000 0.544) 0.593 8.428 ( -1.177 0.000 0.060) 1.179 8.462 ( -0.329 0.000 -0.397) 0.516 8.463 ( -0.017 0.000 -0.422) 0.422 8.576 ( -0.387 0.000 1.465) 1.515 8.621 ( -1.055 0.000 -1.022) 1.469 ======================= Grid point 271 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.000 13.893 -1.207) 13.946 0.606 ( 0.000 13.893 1.207) 13.946 0.656 ( -0.000 7.479 -6.619) 9.988 0.656 ( 0.000 7.479 6.619) 9.988 0.996 ( -0.000 6.772 -9.778) 11.894 0.996 ( 0.000 6.772 9.778) 11.894 1.119 ( -0.000 2.144 -1.582) 2.665 1.119 ( 0.000 2.144 1.582) 2.665 1.648 ( -0.000 -1.628 -1.463) 2.189 1.648 ( 0.000 -1.628 1.463) 2.189 1.704 ( 0.000 -3.591 -0.123) 3.594 1.704 ( 0.000 -3.591 0.123) 3.594 1.833 ( -0.000 1.586 -1.357) 2.087 1.833 ( 0.000 1.586 1.357) 2.087 1.954 ( 0.000 -7.740 -0.037) 7.740 1.954 ( 0.000 -7.740 0.037) 7.740 2.134 ( 0.000 -0.377 -0.037) 0.379 2.134 ( 0.000 -0.377 0.037) 0.379 2.316 ( -0.000 1.378 -0.690) 1.541 2.316 ( 0.000 1.378 0.690) 1.541 2.368 ( -0.000 0.358 -4.304) 4.319 2.368 ( 0.000 0.358 4.304) 4.319 2.437 ( 0.000 -0.973 -0.376) 1.043 2.437 ( 0.000 -0.973 0.376) 1.043 2.840 ( -0.000 -0.803 -0.552) 0.974 2.840 ( 0.000 -0.803 0.552) 0.974 2.928 ( -0.000 -0.071 -0.288) 0.297 2.928 ( 0.000 -0.071 0.288) 0.297 2.957 ( -0.000 0.836 -1.415) 1.644 2.957 ( 0.000 0.836 1.415) 1.644 4.111 ( -0.000 0.648 -1.006) 1.197 4.111 ( 0.000 0.648 1.006) 1.197 4.715 ( 0.000 0.033 -0.023) 0.040 4.715 ( 0.000 0.033 0.023) 0.040 4.978 ( -0.000 -0.285 -0.183) 0.339 4.978 ( 0.000 -0.285 0.183) 0.339 5.030 ( -0.000 0.121 -0.207) 0.240 5.030 ( 0.000 0.121 0.207) 0.240 5.442 ( -0.000 0.319 -0.041) 0.321 5.442 ( 0.000 0.319 0.041) 0.321 7.612 ( -0.000 -0.009 -0.690) 0.691 7.612 ( 0.000 -0.009 0.690) 0.691 8.365 ( -0.000 0.338 -1.054) 1.107 8.365 ( 0.000 0.338 1.054) 1.107 8.502 ( -0.000 1.514 -0.809) 1.717 8.502 ( 0.000 1.514 0.809) 1.717 8.593 ( 0.000 -0.518 -0.075) 0.523 8.593 ( 0.000 -0.518 0.075) 0.523 ======================= Grid point 278 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -5.209 0.686 1.792) 5.551 1.033 ( -6.716 -0.955 2.343) 7.177 1.082 ( -1.334 1.933 -1.802) 2.961 1.116 ( -2.391 -2.372 -2.164) 4.003 1.340 ( 2.123 0.031 0.834) 2.281 1.353 ( 0.340 -0.578 0.937) 1.153 1.431 ( 3.069 0.678 1.841) 3.642 1.470 ( 4.044 -0.483 -0.100) 4.074 1.540 ( 2.547 1.849 1.564) 3.514 1.639 ( -0.370 0.925 -2.397) 2.596 1.660 ( -2.188 -0.132 -0.221) 2.203 1.716 ( 1.187 0.008 3.340) 3.545 1.732 ( -1.594 -0.615 -1.939) 2.584 1.792 ( 0.253 -1.060 -1.827) 2.128 1.850 ( -0.244 0.521 1.892) 1.978 1.933 ( 1.122 -1.455 -2.653) 3.227 2.014 ( 2.188 1.609 2.588) 3.751 2.051 ( 0.003 -0.390 0.431) 0.581 2.138 ( 0.319 0.043 3.687) 3.701 2.228 ( 0.454 -1.447 -2.597) 3.007 2.288 ( -0.510 3.180 0.110) 3.223 2.338 ( -0.156 -1.424 -0.443) 1.500 2.720 ( 1.150 0.131 0.805) 1.409 2.727 ( 1.879 -0.093 0.656) 1.992 2.747 ( 0.082 -0.076 -0.311) 0.330 2.762 ( -0.894 -0.046 -1.137) 1.447 3.184 ( -0.309 -0.033 0.722) 0.786 3.189 ( -0.525 -0.060 0.195) 0.563 3.207 ( -0.467 0.339 0.459) 0.738 3.233 ( 0.102 -0.171 -0.911) 0.933 3.314 ( 0.026 0.058 0.169) 0.181 3.319 ( 0.184 -0.085 -0.088) 0.221 4.950 ( -0.184 0.076 0.431) 0.475 4.959 ( 0.095 -0.037 -0.163) 0.192 5.043 ( 0.097 -0.007 0.092) 0.134 5.044 ( 0.066 -0.003 0.032) 0.074 5.070 ( 0.074 0.028 0.333) 0.342 5.080 ( -0.135 -0.011 -0.319) 0.346 5.527 ( -0.033 0.021 0.119) 0.126 5.530 ( -0.223 -0.023 -0.121) 0.255 7.681 ( 0.083 0.036 0.561) 0.568 7.693 ( 0.096 0.030 -0.290) 0.307 8.409 ( -0.806 -0.070 0.248) 0.846 8.416 ( -0.738 -0.865 0.370) 1.196 8.454 ( 0.006 0.489 -0.250) 0.549 8.463 ( 0.127 -0.160 -0.527) 0.565 8.570 ( 0.151 2.112 0.985) 2.335 8.613 ( -0.133 -1.448 -0.361) 1.498 ======================= Grid point 279 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 8.425 0.000 3.967) 9.312 1.048 ( 6.157 -0.000 -3.111) 6.898 1.086 ( 3.450 -0.000 -0.314) 3.465 1.086 ( 2.858 0.000 -0.719) 2.947 1.390 ( -6.261 0.000 2.348) 6.687 1.405 ( 1.454 0.000 2.854) 3.203 1.420 ( -8.411 -0.000 -0.972) 8.467 1.436 ( -1.530 0.000 -1.251) 1.976 1.590 ( -4.270 0.000 2.011) 4.720 1.619 ( 0.690 -0.000 -1.065) 1.269 1.698 ( 0.928 -0.000 1.043) 1.396 1.715 ( -1.529 0.000 0.151) 1.536 1.766 ( -1.421 -0.000 -1.507) 2.072 1.790 ( -5.822 0.000 -2.600) 6.377 1.861 ( 0.764 0.000 1.063) 1.309 1.879 ( 2.318 -0.000 -0.983) 2.518 2.013 ( 1.711 -0.000 2.545) 3.067 2.037 ( 1.390 0.000 -0.220) 1.408 2.134 ( 2.135 -0.000 3.734) 4.301 2.187 ( 2.837 -0.000 -2.897) 4.055 2.307 ( 0.118 -0.000 0.383) 0.401 2.318 ( 0.994 0.000 -0.851) 1.309 2.522 ( 16.562 -0.000 0.993) 16.592 2.538 ( 15.719 0.000 -0.815) 15.740 2.773 ( -2.466 0.000 0.686) 2.560 2.786 ( -2.892 -0.000 -0.867) 3.019 3.173 ( 1.836 -0.000 0.619) 1.938 3.180 ( 1.614 0.000 -0.153) 1.622 3.201 ( 1.544 0.000 0.376) 1.589 3.208 ( 2.115 -0.000 -0.475) 2.168 3.461 ( -12.892 0.000 0.069) 12.893 3.461 ( -12.782 -0.000 -0.005) 12.782 4.935 ( 2.039 -0.000 0.124) 2.042 4.936 ( 2.368 0.000 0.032) 2.368 5.036 ( 0.788 -0.063 0.028) 0.791 5.036 ( 0.809 0.063 0.027) 0.812 5.068 ( 0.437 -0.000 0.487) 0.655 5.076 ( 0.417 0.000 -0.448) 0.612 5.524 ( 0.461 -0.000 0.344) 0.575 5.530 ( 0.212 -0.000 -0.360) 0.418 7.674 ( 0.934 0.000 0.434) 1.030 7.680 ( 1.169 -0.000 -0.270) 1.199 8.422 ( -0.391 0.000 0.524) 0.654 8.428 ( -0.935 -0.000 -0.109) 0.941 8.459 ( -0.301 -0.000 -0.224) 0.375 8.460 ( -0.084 0.000 -0.305) 0.317 8.588 ( -0.457 0.000 1.524) 1.591 8.612 ( -0.807 -0.000 -1.268) 1.503 ======================= Grid point 289 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -7.271 -2.010 1.965) 7.795 0.926 ( -6.018 -1.699 -0.541) 6.277 1.015 ( -4.014 1.395 -0.765) 4.318 1.079 ( -2.445 -2.233 -0.538) 3.355 1.343 ( -1.478 1.165 2.994) 3.536 1.414 ( 2.553 -1.005 0.150) 2.748 1.486 ( 3.823 1.116 -0.750) 4.053 1.555 ( 4.962 -0.925 -1.784) 5.353 1.577 ( 0.955 3.285 0.185) 3.425 1.597 ( 0.036 3.202 -1.730) 3.639 1.669 ( -0.655 -1.422 0.758) 1.740 1.727 ( 3.939 -1.811 -0.576) 4.374 1.761 ( 1.032 -0.360 1.019) 1.494 1.796 ( -0.051 -0.998 -0.614) 1.173 1.881 ( 3.366 -0.006 3.319) 4.727 1.932 ( -0.825 -0.547 -0.779) 1.260 2.032 ( 0.307 1.951 1.563) 2.518 2.076 ( 3.064 0.654 -1.560) 3.500 2.141 ( -1.666 -0.717 2.591) 3.162 2.210 ( -3.211 0.404 -2.517) 4.100 2.252 ( -0.661 1.700 -0.132) 1.829 2.325 ( -2.368 -0.715 0.052) 2.474 2.578 ( -14.674 0.901 -0.157) 14.702 2.585 ( -13.925 0.549 -0.014) 13.936 2.755 ( 2.020 -0.280 0.728) 2.166 2.770 ( 2.639 -0.448 -0.492) 2.721 3.163 ( -2.415 -0.335 0.406) 2.472 3.164 ( -2.503 -0.210 0.117) 2.514 3.185 ( -1.975 0.289 0.809) 2.154 3.214 ( -1.886 -0.143 -1.181) 2.230 3.465 ( 13.295 0.127 0.281) 13.299 3.470 ( 13.249 0.049 -0.130) 13.250 4.931 ( -2.158 0.016 0.491) 2.213 4.938 ( -2.237 0.027 -0.348) 2.264 5.038 ( -0.753 0.039 0.074) 0.758 5.039 ( -0.638 0.008 0.041) 0.639 5.067 ( -0.444 0.228 -0.016) 0.499 5.074 ( -0.477 -0.215 -0.016) 0.523 5.520 ( -0.630 0.110 -0.024) 0.640 5.525 ( -0.483 -0.224 0.026) 0.533 7.676 ( -0.865 0.106 0.384) 0.953 7.682 ( -1.104 0.076 -0.270) 1.139 8.401 ( -0.621 -0.786 0.287) 1.043 8.411 ( -0.865 -1.266 0.139) 1.539 8.454 ( 0.426 0.587 -0.016) 0.725 8.467 ( 0.599 -0.048 -0.606) 0.853 8.562 ( 0.576 2.606 0.481) 2.712 8.630 ( 0.763 -1.595 0.024) 1.768 ======================= Grid point 290 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -5.349 0.659 1.759) 5.669 1.046 ( -6.712 -0.697 0.165) 6.750 1.067 ( -1.554 2.165 -1.026) 2.855 1.105 ( -2.021 -2.813 -0.774) 3.549 1.347 ( 1.631 0.243 0.614) 1.760 1.356 ( 1.865 -0.615 -0.172) 1.971 1.446 ( 3.013 1.197 1.420) 3.539 1.468 ( 3.437 -0.841 -0.379) 3.559 1.558 ( 1.372 2.129 2.702) 3.703 1.599 ( -0.641 0.684 -4.575) 4.670 1.682 ( -1.992 -0.283 3.107) 3.702 1.712 ( -2.204 -0.772 -2.621) 3.510 1.744 ( 1.830 0.094 2.963) 3.484 1.774 ( 1.142 -1.009 -2.337) 2.790 1.866 ( 0.545 1.759 1.590) 2.433 1.913 ( 0.881 -2.559 -1.812) 3.257 2.030 ( 1.273 1.972 1.100) 2.592 2.052 ( 0.325 -0.707 0.035) 0.779 2.164 ( 0.134 0.901 2.443) 2.607 2.207 ( 0.385 -2.307 -2.096) 3.141 2.290 ( -0.396 3.831 0.126) 3.854 2.335 ( -0.125 -2.059 -0.250) 2.078 2.725 ( 1.350 0.349 0.405) 1.452 2.732 ( 1.949 -0.228 0.369) 1.997 2.745 ( -0.536 0.164 -0.058) 0.564 2.754 ( -0.548 -0.362 -0.709) 0.967 3.188 ( -0.351 0.016 0.277) 0.447 3.190 ( -0.450 -0.088 0.060) 0.462 3.212 ( -0.244 0.732 0.497) 0.918 3.226 ( -0.205 -0.547 -0.657) 0.879 3.315 ( 0.146 0.136 0.095) 0.221 3.318 ( 0.108 -0.157 -0.065) 0.201 4.953 ( -0.047 0.197 0.283) 0.348 4.958 ( -0.036 -0.136 -0.181) 0.229 5.044 ( 0.105 0.009 0.053) 0.118 5.044 ( 0.084 -0.010 -0.006) 0.085 5.073 ( -0.041 0.119 0.293) 0.319 5.077 ( -0.043 -0.100 -0.288) 0.308 5.528 ( -0.121 0.065 0.094) 0.167 5.529 ( -0.133 -0.067 -0.095) 0.176 7.686 ( 0.094 0.145 0.449) 0.481 7.691 ( 0.082 -0.056 -0.345) 0.359 8.411 ( -0.722 0.034 0.105) 0.730 8.418 ( -0.847 -1.016 0.143) 1.330 8.453 ( 0.078 0.553 -0.029) 0.559 8.459 ( 0.065 -0.149 -0.270) 0.315 8.576 ( 0.105 2.534 0.417) 2.570 8.611 ( -0.030 -1.860 -0.188) 1.870 ======================= Grid point 291 (117/171) ======================= q-point: ( 0.50 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 6.874 -0.063 0.000) 6.875 1.019 ( 6.874 0.063 0.000) 6.875 1.085 ( 3.663 -0.955 0.000) 3.785 1.085 ( 3.663 0.955 0.000) 3.785 1.408 ( -7.770 -0.306 0.000) 7.776 1.408 ( -7.770 0.306 0.000) 7.776 1.424 ( 0.410 -1.836 0.000) 1.882 1.424 ( 0.410 1.836 0.000) 1.882 1.606 ( -2.598 -1.860 0.000) 3.196 1.606 ( -2.598 1.860 -0.000) 3.196 1.710 ( 2.035 -0.128 0.000) 2.039 1.710 ( 2.035 0.128 0.000) 2.039 1.769 ( -5.117 -0.412 0.000) 5.134 1.769 ( -5.117 0.412 0.000) 5.134 1.870 ( 1.458 -2.033 0.000) 2.502 1.870 ( 1.458 2.033 -0.000) 2.502 2.030 ( 1.544 -1.280 0.000) 2.006 2.030 ( 1.544 1.280 0.000) 2.006 2.162 ( 2.519 -0.246 0.000) 2.531 2.162 ( 2.519 0.246 0.000) 2.531 2.311 ( 0.576 -1.831 0.000) 1.919 2.311 ( 0.576 1.831 -0.000) 1.919 2.531 ( 16.160 -0.191 0.000) 16.161 2.531 ( 16.160 0.191 0.000) 16.161 2.779 ( -2.699 -0.047 0.000) 2.699 2.779 ( -2.699 0.047 0.000) 2.699 3.177 ( 1.767 -0.007 0.000) 1.767 3.177 ( 1.767 0.007 0.000) 1.767 3.205 ( 1.785 -0.705 0.000) 1.919 3.205 ( 1.785 0.705 0.000) 1.919 3.461 ( -12.839 -0.224 -0.000) 12.841 3.461 ( -12.839 0.224 -0.000) 12.841 4.936 ( 2.213 -0.272 0.000) 2.230 4.936 ( 2.213 0.272 0.000) 2.230 5.036 ( 0.801 -0.069 0.000) 0.804 5.036 ( 0.801 0.069 0.000) 0.804 5.072 ( 0.426 -0.003 0.000) 0.426 5.072 ( 0.426 0.003 0.000) 0.426 5.527 ( 0.340 -0.004 0.000) 0.340 5.527 ( 0.340 0.004 0.000) 0.340 7.678 ( 1.062 -0.055 0.000) 1.063 7.678 ( 1.062 0.055 0.000) 1.063 8.426 ( -0.642 -0.544 0.000) 0.841 8.426 ( -0.642 0.544 -0.000) 0.841 8.458 ( -0.203 -0.509 0.000) 0.548 8.458 ( -0.203 0.509 -0.000) 0.548 8.600 ( -0.599 -2.028 0.000) 2.115 8.600 ( -0.599 2.028 0.000) 2.115 ======================= Grid point 300 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -4.173 -0.166 0.559) 4.214 0.853 ( -4.152 2.738 -0.921) 5.058 0.914 ( -4.027 0.461 -0.296) 4.064 1.062 ( -1.342 -2.903 0.136) 3.201 1.304 ( -3.176 1.285 2.725) 4.378 1.401 ( -4.612 -1.318 -2.706) 5.507 1.547 ( 1.102 2.826 0.761) 3.127 1.570 ( 1.660 -0.382 0.035) 1.703 1.605 ( 5.523 0.462 1.351) 5.704 1.647 ( -1.493 -1.858 -2.202) 3.244 1.668 ( 5.926 -1.551 -0.586) 6.154 1.757 ( -7.237 -2.447 0.170) 7.642 1.769 ( 0.275 0.691 -0.225) 0.777 1.793 ( -0.854 -1.476 -0.235) 1.721 1.926 ( 2.314 2.340 1.148) 3.485 1.989 ( -2.933 -0.200 -0.025) 2.940 1.996 ( -2.957 3.740 3.202) 5.744 2.062 ( -3.496 0.154 -0.520) 3.538 2.102 ( 1.403 2.606 -1.884) 3.508 2.145 ( 1.103 -0.520 -0.607) 1.362 2.242 ( -0.376 -1.390 -0.159) 1.448 2.274 ( -2.476 0.465 0.062) 2.520 2.347 ( -7.173 1.991 -0.016) 7.444 2.381 ( -6.542 -0.015 0.067) 6.542 2.809 ( 3.418 0.192 0.218) 3.431 2.835 ( 3.919 -0.889 -0.074) 4.020 3.101 ( -4.727 -0.259 -0.049) 4.734 3.111 ( -4.211 -0.662 0.175) 4.266 3.143 ( -3.244 -0.165 1.173) 3.454 3.159 ( -3.821 -0.061 -1.295) 4.035 3.702 ( 12.955 0.230 0.259) 12.959 3.704 ( 12.908 0.247 -0.182) 12.912 4.880 ( -3.722 0.079 0.235) 3.731 4.884 ( -3.585 -0.046 -0.213) 3.591 5.019 ( -1.297 0.117 0.039) 1.303 5.023 ( -1.093 -0.022 -0.006) 1.093 5.055 ( -0.684 0.226 -0.034) 0.721 5.065 ( -0.767 -0.225 0.024) 0.800 5.503 ( -1.173 0.151 -0.032) 1.183 5.515 ( -1.001 -0.421 0.039) 1.087 7.654 ( -1.714 0.080 0.037) 1.716 7.658 ( -1.248 0.023 -0.045) 1.249 8.400 ( -0.541 -1.351 0.284) 1.482 8.404 ( -1.055 -1.387 -0.121) 1.747 8.462 ( 0.953 0.261 0.182) 1.005 8.480 ( 1.054 0.062 -0.477) 1.158 8.554 ( 0.463 2.687 0.179) 2.733 8.658 ( 0.919 -1.631 0.084) 1.874 ======================= Grid point 301 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -7.267 -1.682 -0.000) 7.459 0.920 ( -6.593 -2.175 0.000) 6.942 1.013 ( -3.526 1.900 -0.000) 4.006 1.077 ( -2.511 -2.580 0.000) 3.600 1.356 ( -0.408 1.856 -0.000) 1.900 1.415 ( 1.392 -1.601 0.000) 2.121 1.484 ( 3.499 1.685 -0.000) 3.884 1.544 ( 3.294 -2.551 0.000) 4.167 1.576 ( 2.142 4.846 -0.000) 5.299 1.593 ( 1.549 3.115 -0.000) 3.479 1.673 ( -2.456 -1.219 0.000) 2.742 1.722 ( 4.763 -3.156 0.000) 5.714 1.767 ( 0.424 0.392 -0.000) 0.577 1.792 ( 0.311 -1.137 0.000) 1.178 1.901 ( 4.684 0.765 0.000) 4.746 1.923 ( -1.138 -1.199 0.000) 1.653 2.039 ( 1.343 2.396 -0.000) 2.746 2.068 ( 1.459 0.478 -0.000) 1.536 2.154 ( -1.316 -0.262 -0.000) 1.342 2.197 ( -3.580 -0.301 -0.000) 3.592 2.251 ( -0.750 2.036 -0.000) 2.170 2.325 ( -2.360 -0.849 0.000) 2.508 2.577 ( -14.734 0.957 -0.000) 14.765 2.585 ( -13.833 0.519 -0.000) 13.842 2.759 ( 2.072 -0.041 0.000) 2.072 2.767 ( 2.602 -0.709 0.000) 2.697 3.164 ( -2.615 -0.220 -0.000) 2.624 3.165 ( -2.362 -0.302 -0.000) 2.381 3.190 ( -1.713 0.632 -0.000) 1.826 3.208 ( -2.111 -0.470 -0.000) 2.163 3.466 ( 13.322 0.171 0.000) 13.323 3.469 ( 13.235 0.014 0.000) 13.235 4.934 ( -2.069 0.101 -0.000) 2.071 4.936 ( -2.339 -0.040 -0.000) 2.339 5.038 ( -0.732 0.045 -0.000) 0.734 5.039 ( -0.659 0.011 -0.000) 0.659 5.067 ( -0.483 0.260 -0.000) 0.549 5.074 ( -0.439 -0.245 0.000) 0.503 5.520 ( -0.638 0.120 -0.000) 0.649 5.525 ( -0.474 -0.235 0.000) 0.529 7.678 ( -0.864 0.218 -0.000) 0.891 7.681 ( -1.128 -0.017 -0.000) 1.128 8.402 ( -0.560 -0.693 0.000) 0.891 8.412 ( -0.951 -1.376 0.000) 1.673 8.454 ( 0.461 0.579 -0.000) 0.740 8.464 ( 0.571 -0.005 0.000) 0.571 8.564 ( 0.566 2.674 -0.000) 2.733 8.630 ( 0.783 -1.652 0.000) 1.828 ======================= Grid point 310 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -8.371 9.139 -0.000) 12.393 0.732 ( -3.723 6.374 -0.000) 7.382 0.893 ( -0.354 2.501 -0.000) 2.526 1.070 ( -0.698 -3.566 0.000) 3.634 1.243 ( -3.296 1.110 -0.000) 3.478 1.286 ( -7.291 0.515 -0.000) 7.309 1.475 ( -19.367 1.813 -0.000) 19.452 1.480 ( -16.632 2.128 -0.000) 16.768 1.588 ( 0.902 2.199 -0.000) 2.377 1.610 ( 2.392 -2.737 0.000) 3.635 1.737 ( -0.583 1.907 -0.000) 1.994 1.767 ( -0.172 -2.880 0.000) 2.885 1.774 ( 1.043 -0.715 0.000) 1.264 1.800 ( 0.424 -3.911 0.000) 3.934 1.818 ( 7.419 -3.038 0.000) 8.016 1.873 ( -3.834 2.578 -0.000) 4.620 2.022 ( -0.428 0.549 -0.000) 0.697 2.087 ( 2.909 -0.562 0.000) 2.963 2.168 ( 1.487 0.540 -0.000) 1.582 2.181 ( 4.457 1.201 -0.000) 4.616 2.255 ( 3.442 0.451 0.000) 3.471 2.262 ( 0.860 -0.593 0.000) 1.045 2.327 ( 4.737 0.090 0.000) 4.738 2.347 ( 1.464 -0.083 0.000) 1.466 2.864 ( 2.911 0.483 0.000) 2.951 2.905 ( 2.968 -0.778 0.000) 3.068 3.005 ( -6.359 -0.367 -0.000) 6.370 3.027 ( -5.548 -0.371 -0.000) 5.561 3.068 ( -6.024 -0.209 -0.000) 6.027 3.090 ( -3.525 -0.593 -0.000) 3.574 3.901 ( 9.990 0.526 0.000) 10.003 3.910 ( 10.506 0.053 0.000) 10.507 4.808 ( -4.136 0.208 -0.000) 4.141 4.816 ( -4.165 -0.141 -0.000) 4.168 4.994 ( -1.315 0.134 -0.000) 1.321 5.003 ( -1.116 -0.118 -0.000) 1.122 5.041 ( -0.653 0.178 -0.000) 0.677 5.052 ( -0.789 -0.135 -0.000) 0.801 5.478 ( -1.477 0.209 -0.000) 1.492 5.496 ( -1.597 -0.591 0.000) 1.703 7.624 ( -1.500 0.087 -0.000) 1.502 7.639 ( -0.914 -0.287 0.000) 0.958 8.390 ( -1.483 -1.098 0.000) 1.845 8.404 ( -0.429 -1.660 0.000) 1.714 8.486 ( 1.684 -0.412 0.000) 1.733 8.495 ( 0.825 0.388 -0.000) 0.912 8.541 ( 0.197 2.515 -0.000) 2.523 8.679 ( -0.221 -1.728 0.000) 1.742 ======================= Grid point 320 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -0.000 12.172 -0.000) 12.172 0.718 ( -0.000 14.044 -0.000) 14.044 0.910 ( -0.000 16.372 -0.000) 16.372 0.914 ( -0.000 9.408 -0.000) 9.408 0.995 ( -0.000 10.300 -0.000) 10.300 1.025 ( 0.000 -4.047 0.000) 4.047 1.171 ( 0.000 -1.264 0.000) 1.264 1.173 ( -0.000 0.499 -0.000) 0.499 1.669 ( 0.000 -3.204 0.000) 3.204 1.704 ( 0.000 -3.808 0.000) 3.808 1.749 ( 0.000 -0.535 0.000) 0.535 1.749 ( -0.000 0.892 -0.000) 0.892 1.761 ( 0.000 -4.550 0.000) 4.550 1.781 ( 0.000 -1.149 0.000) 1.149 1.782 ( 0.000 -5.037 0.000) 5.037 1.997 ( -0.000 0.512 -0.000) 0.512 2.008 ( 0.000 -4.853 0.000) 4.853 2.039 ( 0.000 -1.974 0.000) 1.974 2.237 ( 0.000 -0.237 0.000) 0.237 2.342 ( -0.000 1.688 -0.000) 1.688 2.361 ( -0.000 1.170 -0.000) 1.170 2.367 ( 0.000 -4.125 0.000) 4.125 2.417 ( -0.000 0.254 -0.000) 0.254 2.533 ( 0.000 -3.177 0.000) 3.177 2.830 ( 0.000 -0.300 0.000) 0.300 2.847 ( 0.000 -0.892 0.000) 0.892 2.871 ( -0.000 1.478 -0.000) 1.478 2.919 ( -0.000 0.564 -0.000) 0.564 2.989 ( -0.000 0.039 -0.000) 0.039 3.006 ( 0.000 -1.300 0.000) 1.300 4.098 ( -0.000 0.909 -0.000) 0.909 4.120 ( 0.000 -0.268 0.000) 0.268 4.714 ( -0.000 0.022 -0.000) 0.022 4.716 ( 0.000 -0.028 0.000) 0.028 4.967 ( -0.000 0.087 -0.000) 0.087 4.978 ( 0.000 -0.265 0.000) 0.265 5.028 ( -0.000 0.145 -0.000) 0.145 5.038 ( 0.000 -0.175 0.000) 0.175 5.444 ( -0.000 0.343 -0.000) 0.343 5.447 ( -0.000 0.267 -0.000) 0.267 7.597 ( -0.000 0.117 -0.000) 0.117 7.624 ( 0.000 -0.663 0.000) 0.663 8.349 ( -0.000 0.237 -0.000) 0.237 8.394 ( 0.000 -1.579 0.000) 1.579 8.502 ( -0.000 1.456 -0.000) 1.456 8.549 ( -0.000 1.668 -0.000) 1.668 8.570 ( 0.000 -1.179 0.000) 1.179 8.609 ( 0.000 -0.300 0.000) 0.300 ======================= Grid point 321 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -7.018 10.443 1.422) 12.662 0.796 ( 1.562 12.765 0.932) 12.894 0.962 ( 2.348 8.402 -1.447) 8.843 1.009 ( -2.348 -5.186 0.710) 5.737 1.151 ( -10.727 5.042 -1.029) 11.897 1.164 ( -9.716 -1.280 0.306) 9.805 1.213 ( -7.869 5.143 -0.241) 9.404 1.235 ( -7.421 3.323 1.949) 8.361 1.617 ( 2.354 -2.807 -2.611) 4.499 1.633 ( 1.889 -2.948 0.969) 3.633 1.732 ( -0.691 -1.333 -0.972) 1.789 1.734 ( 0.147 -1.715 -0.113) 1.725 1.757 ( -1.396 -4.486 -2.384) 5.268 1.790 ( 0.151 0.803 0.516) 0.967 1.811 ( -3.637 -0.402 3.026) 4.748 1.927 ( 5.079 -3.333 0.877) 6.138 2.010 ( -0.820 0.511 -0.977) 1.374 2.061 ( -2.608 -2.636 1.670) 4.067 2.213 ( 2.415 0.841 0.087) 2.559 2.261 ( 4.951 0.770 0.145) 5.013 2.322 ( 4.353 0.424 -0.450) 4.397 2.343 ( 3.749 -1.636 -0.302) 4.102 2.392 ( 2.697 -0.096 0.851) 2.829 2.426 ( 6.716 -1.326 -0.617) 6.874 2.887 ( -5.291 -0.296 -0.007) 5.299 2.899 ( -3.951 -0.541 0.067) 3.988 2.912 ( 0.753 0.814 -0.082) 1.112 2.945 ( -5.524 -0.384 -0.006) 5.538 2.978 ( -0.113 0.458 -0.352) 0.589 3.024 ( -2.956 -1.154 0.266) 3.185 4.049 ( 6.053 0.579 0.033) 6.081 4.060 ( 6.329 -0.148 0.049) 6.331 4.744 ( -3.071 0.107 0.018) 3.073 4.747 ( -3.243 -0.069 0.019) 3.244 4.976 ( -0.828 0.117 0.018) 0.837 4.984 ( -0.837 -0.251 -0.002) 0.874 5.033 ( -0.404 0.165 -0.001) 0.437 5.040 ( -0.421 -0.147 -0.013) 0.446 5.457 ( -1.063 0.278 0.006) 1.099 5.464 ( -1.476 -0.139 -0.011) 1.483 7.605 ( -0.745 0.190 0.085) 0.773 7.623 ( -0.502 -0.559 -0.013) 0.752 8.361 ( -1.055 -0.301 0.039) 1.098 8.385 ( -0.299 -1.489 -0.121) 1.524 8.509 ( 0.574 0.829 -0.333) 1.062 8.525 ( 2.395 0.008 0.484) 2.443 8.560 ( 0.037 2.056 -0.041) 2.057 8.642 ( -2.240 -1.652 -0.153) 2.788 ======================= Grid point 322 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -4.353 7.242 -0.944) 8.502 0.845 ( 0.500 6.716 3.168) 7.443 0.921 ( 4.503 0.999 -0.372) 4.628 1.011 ( -1.241 -4.320 0.903) 4.585 1.227 ( -4.245 0.443 -4.840) 6.454 1.320 ( -5.973 0.488 4.819) 7.690 1.476 ( -12.011 -1.364 -0.332) 12.093 1.481 ( -14.588 -1.612 -0.073) 14.677 1.580 ( -1.804 1.570 -1.800) 2.993 1.622 ( -0.038 0.019 1.560) 1.561 1.708 ( 1.212 -3.675 -2.291) 4.497 1.742 ( 2.598 -0.211 -3.725) 4.547 1.754 ( 0.387 -1.840 2.738) 3.321 1.785 ( -2.808 3.118 -1.965) 4.633 1.841 ( -0.491 1.247 5.551) 5.711 1.900 ( -5.118 0.325 1.128) 5.251 2.020 ( -0.355 0.447 -1.805) 1.894 2.070 ( 1.795 -1.578 0.307) 2.410 2.166 ( 3.767 0.394 -1.840) 4.210 2.206 ( 2.435 0.695 1.672) 3.034 2.246 ( 2.226 -0.376 -0.449) 2.302 2.261 ( 3.086 -0.754 1.062) 3.349 2.334 ( 2.633 0.935 -0.251) 2.805 2.348 ( 1.618 -0.206 0.351) 1.669 2.871 ( 3.204 0.494 -0.402) 3.266 2.895 ( 3.065 -0.548 0.253) 3.124 3.002 ( -6.294 0.048 0.021) 6.294 3.018 ( -5.449 -0.744 -0.166) 5.502 3.056 ( -5.263 -0.388 -1.847) 5.591 3.092 ( -4.563 -0.144 1.891) 4.942 3.906 ( 10.173 0.235 -0.204) 10.177 3.911 ( 10.315 0.074 0.102) 10.316 4.810 ( -4.066 0.111 -0.038) 4.068 4.814 ( -4.201 -0.084 0.078) 4.202 4.996 ( -1.304 0.125 -0.060) 1.311 5.001 ( -1.231 -0.153 0.042) 1.241 5.044 ( -0.691 0.180 -0.038) 0.715 5.050 ( -0.732 -0.164 0.029) 0.751 5.482 ( -1.431 0.216 0.025) 1.448 5.489 ( -1.509 -0.341 -0.037) 1.547 7.626 ( -1.448 0.209 0.110) 1.467 7.635 ( -1.156 -0.314 0.019) 1.198 8.375 ( -0.934 -0.782 -0.220) 1.238 8.383 ( -0.583 -1.054 0.018) 1.205 8.485 ( 1.429 0.408 -0.488) 1.564 8.503 ( 1.319 0.071 0.971) 1.639 8.578 ( 0.020 2.631 -0.255) 2.643 8.649 ( -0.371 -2.157 -0.179) 2.196 ======================= Grid point 323 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.112 -0.198 -2.069) 2.082 0.876 ( 0.924 -0.153 2.742) 2.898 0.948 ( -4.518 2.219 -1.195) 5.173 1.030 ( -2.821 -1.631 2.135) 3.896 1.279 ( -3.701 0.342 -5.503) 6.640 1.421 ( -2.465 -0.459 4.368) 5.036 1.550 ( 1.132 0.306 -1.445) 1.861 1.559 ( -1.266 -0.376 -3.228) 3.487 1.620 ( 2.172 1.322 2.005) 3.238 1.638 ( 2.195 -0.935 1.274) 2.705 1.685 ( 0.354 0.884 2.534) 2.707 1.719 ( -5.394 -2.755 2.121) 6.418 1.776 ( -1.026 0.141 -0.175) 1.051 1.792 ( 1.111 0.195 0.879) 1.430 1.934 ( 1.276 1.179 -3.180) 3.624 1.957 ( 5.908 -0.899 -3.334) 6.843 2.004 ( -4.192 1.119 -3.343) 5.477 2.060 ( -4.764 -0.405 -2.320) 5.314 2.149 ( -3.395 0.954 2.807) 4.507 2.166 ( 3.127 0.296 4.930) 5.845 2.244 ( -1.134 1.051 0.171) 1.556 2.269 ( -2.807 -0.987 0.294) 2.990 2.366 ( -7.392 0.739 -0.663) 7.458 2.380 ( -6.734 -0.036 -0.106) 6.735 2.804 ( 3.838 -0.096 -1.079) 3.988 2.831 ( 3.845 -0.148 0.801) 3.930 3.098 ( -4.474 -0.164 -0.248) 4.484 3.102 ( -4.352 -0.220 -0.149) 4.360 3.127 ( -4.065 -0.233 -1.588) 4.371 3.174 ( -3.455 0.081 1.798) 3.896 3.702 ( 12.970 0.080 -0.348) 12.975 3.707 ( 12.934 0.086 0.089) 12.935 4.877 ( -3.500 -0.012 -0.386) 3.522 4.886 ( -3.761 0.010 0.282) 3.772 5.019 ( -1.254 0.044 -0.151) 1.264 5.023 ( -1.141 -0.027 0.038) 1.142 5.058 ( -0.770 0.200 0.014) 0.795 5.062 ( -0.691 -0.199 0.002) 0.719 5.506 ( -1.126 0.189 0.027) 1.142 5.510 ( -1.073 -0.277 -0.034) 1.109 7.654 ( -1.374 0.041 -0.147) 1.382 7.659 ( -1.659 -0.001 0.147) 1.665 8.381 ( -0.712 -0.621 -0.547) 1.092 8.391 ( -0.767 -0.497 0.098) 0.919 8.468 ( 0.811 0.408 -0.023) 0.908 8.484 ( 1.125 -0.145 0.843) 1.413 8.589 ( 0.593 2.295 -0.775) 2.493 8.630 ( 0.584 -1.913 0.069) 2.002 ======================= Grid point 324 (125/171) ======================= q-point: ( 0.70 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -7.699 0.000 -1.881) 7.925 0.913 ( -4.515 0.000 -0.743) 4.576 1.032 ( -5.276 0.000 0.891) 5.350 1.072 ( -1.346 0.000 1.594) 2.086 1.314 ( -2.577 0.000 -4.916) 5.550 1.412 ( 3.601 -0.000 0.713) 3.671 1.497 ( 3.511 -0.000 1.412) 3.784 1.573 ( 4.908 -0.000 2.192) 5.376 1.593 ( -1.951 0.000 -2.991) 3.571 1.628 ( 3.098 -0.000 0.083) 3.099 1.671 ( 0.644 -0.000 4.257) 4.305 1.721 ( 2.492 -0.000 -0.058) 2.493 1.742 ( 2.310 -0.000 -1.113) 2.564 1.793 ( -0.413 0.000 0.499) 0.647 1.854 ( 2.032 -0.000 -2.307) 3.075 1.927 ( -0.716 0.000 -1.174) 1.375 2.027 ( -1.699 0.000 -2.693) 3.185 2.080 ( 2.180 -0.000 -1.939) 2.918 2.127 ( 1.398 -0.000 0.356) 1.442 2.226 ( -1.573 0.000 3.053) 3.434 2.281 ( -1.642 0.000 -0.623) 1.756 2.314 ( -2.196 0.000 0.697) 2.304 2.585 ( -13.933 0.000 -0.056) 13.933 2.590 ( -14.471 0.000 0.208) 14.473 2.745 ( 1.803 -0.000 -0.881) 2.007 2.773 ( 2.801 -0.000 0.594) 2.863 3.155 ( -2.447 0.000 -0.898) 2.606 3.161 ( -2.471 0.000 -0.195) 2.479 3.180 ( -2.480 0.000 -0.619) 2.556 3.225 ( -1.579 0.000 1.356) 2.081 3.463 ( 13.312 -0.000 -0.362) 13.317 3.471 ( 13.310 -0.000 0.089) 13.310 4.926 ( -2.187 0.000 -0.541) 2.253 4.941 ( -2.189 0.000 0.256) 2.204 5.037 ( -0.772 0.000 -0.130) 0.783 5.038 ( -0.599 0.000 -0.077) 0.604 5.068 ( -0.239 0.000 -0.107) 0.262 5.073 ( -0.684 0.000 0.151) 0.701 5.522 ( -0.517 0.000 -0.032) 0.518 5.523 ( -0.636 0.000 0.030) 0.636 7.673 ( -0.800 0.000 -0.454) 0.920 7.685 ( -1.112 0.000 0.218) 1.133 8.390 ( -0.897 0.000 -0.547) 1.051 8.402 ( -0.639 0.000 -0.097) 0.647 8.460 ( 0.369 -0.000 0.313) 0.484 8.471 ( 0.637 -0.000 0.646) 0.907 8.581 ( 0.670 -0.000 -1.324) 1.484 8.613 ( 0.537 -0.000 0.430) 0.688 ======================= Grid point 332 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 0.000 11.406 5.012) 12.458 0.722 ( -0.000 13.935 0.993) 13.970 0.886 ( -0.000 12.658 -2.769) 12.958 0.944 ( 0.000 12.927 4.377) 13.648 0.976 ( -0.000 7.187 -4.058) 8.254 1.034 ( 0.000 -1.237 1.710) 2.110 1.173 ( -0.000 0.609 -0.030) 0.609 1.177 ( 0.000 -0.433 1.272) 1.344 1.668 ( 0.000 -3.169 -0.159) 3.173 1.683 ( -0.000 -3.109 -4.149) 5.184 1.726 ( -0.000 -0.992 -3.118) 3.272 1.726 ( -0.000 -1.785 -4.009) 4.388 1.790 ( 0.000 -5.729 3.070) 6.500 1.791 ( 0.000 1.091 2.912) 3.109 1.797 ( 0.000 -3.876 2.418) 4.568 1.971 ( -0.000 -1.328 -3.511) 3.753 2.036 ( 0.000 -2.695 3.961) 4.791 2.047 ( 0.000 -1.879 1.915) 2.683 2.242 ( 0.000 -0.312 1.042) 1.088 2.342 ( -0.000 1.644 -0.004) 1.644 2.357 ( -0.000 0.009 -0.652) 0.652 2.371 ( 0.000 -2.914 0.703) 2.998 2.418 ( 0.000 0.145 0.135) 0.198 2.525 ( -0.000 -2.917 -2.060) 3.571 2.829 ( -0.000 -0.297 -0.328) 0.442 2.846 ( -0.000 -0.889 -0.311) 0.942 2.876 ( 0.000 1.403 1.274) 1.896 2.920 ( 0.000 0.588 0.263) 0.644 2.986 ( -0.000 0.124 -0.596) 0.609 3.004 ( -0.000 -1.201 -0.467) 1.289 4.099 ( 0.000 0.880 0.254) 0.916 4.121 ( 0.000 -0.282 0.165) 0.327 4.714 ( 0.000 0.024 0.017) 0.029 4.716 ( 0.000 -0.023 0.001) 0.023 4.968 ( 0.000 0.061 0.114) 0.129 4.978 ( 0.000 -0.261 -0.034) 0.264 5.028 ( 0.000 0.142 0.038) 0.146 5.038 ( -0.000 -0.156 -0.101) 0.185 5.444 ( -0.000 0.340 0.031) 0.342 5.447 ( -0.000 0.269 -0.009) 0.269 7.598 ( 0.000 0.123 0.187) 0.224 7.623 ( -0.000 -0.618 -0.137) 0.633 8.350 ( 0.000 0.229 0.181) 0.292 8.392 ( -0.000 -1.452 -0.450) 1.520 8.503 ( 0.000 1.439 0.232) 1.457 8.547 ( -0.000 1.502 -0.459) 1.570 8.572 ( 0.000 -0.973 0.347) 1.033 8.607 ( -0.000 -0.251 -0.323) 0.409 ======================= Grid point 333 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -6.102 9.503 3.797) 11.915 0.811 ( 0.768 12.599 2.477) 12.863 0.943 ( 1.520 5.037 -3.048) 6.080 1.017 ( -2.119 -0.747 0.824) 2.393 1.140 ( -8.018 4.477 -1.402) 9.290 1.169 ( -8.979 -1.355 0.869) 9.122 1.214 ( -11.416 5.953 0.294) 12.879 1.256 ( -6.052 2.789 2.781) 7.221 1.592 ( 2.660 -2.684 -3.212) 4.960 1.635 ( 1.152 -1.507 -0.320) 1.924 1.718 ( -1.467 -0.548 -2.469) 2.924 1.729 ( -0.764 -5.269 -2.327) 5.810 1.735 ( -0.024 -2.296 -0.940) 2.481 1.805 ( 0.226 -0.932 2.292) 2.485 1.838 ( -2.977 0.361 3.201) 4.387 1.938 ( 2.567 -2.523 1.327) 3.837 2.003 ( 1.084 -0.111 -0.263) 1.121 2.081 ( -2.022 -2.162 2.795) 4.071 2.215 ( 2.956 0.910 0.406) 3.120 2.264 ( 5.088 0.548 0.393) 5.133 2.316 ( 4.240 -0.302 -0.818) 4.329 2.339 ( 3.785 -0.396 -0.672) 3.865 2.403 ( 2.236 -1.080 1.521) 2.912 2.417 ( 6.434 -0.816 -1.542) 6.666 2.887 ( -5.780 -0.299 -0.027) 5.788 2.900 ( -3.379 -0.520 0.164) 3.423 2.911 ( 0.034 0.474 -0.157) 0.500 2.945 ( -4.215 -0.229 -0.041) 4.221 2.973 ( -0.240 0.390 -0.829) 0.947 3.028 ( -3.406 -0.743 0.601) 3.538 4.049 ( 6.148 0.505 0.098) 6.169 4.061 ( 6.369 -0.120 0.112) 6.371 4.744 ( -3.110 0.095 0.049) 3.111 4.747 ( -3.220 -0.054 0.048) 3.221 4.976 ( -0.798 0.088 0.046) 0.804 4.984 ( -0.851 -0.234 -0.005) 0.882 5.033 ( -0.386 0.144 -0.003) 0.412 5.040 ( -0.450 -0.119 -0.033) 0.467 5.457 ( -1.077 0.258 0.017) 1.108 5.464 ( -1.445 -0.099 -0.029) 1.449 7.606 ( -0.727 0.176 0.235) 0.784 7.623 ( -0.519 -0.479 -0.046) 0.708 8.361 ( -0.987 -0.323 0.111) 1.045 8.384 ( -0.331 -1.344 -0.330) 1.423 8.506 ( 1.124 0.556 -0.454) 1.334 8.531 ( 1.697 0.375 0.870) 1.943 8.559 ( 0.152 1.988 -0.112) 1.997 8.640 ( -2.226 -1.568 -0.407) 2.753 ======================= Grid point 334 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -2.826 6.099 0.187) 6.724 0.868 ( 0.772 4.601 1.793) 4.998 0.923 ( 2.480 2.745 1.461) 3.977 1.020 ( -0.058 -2.358 1.081) 2.595 1.189 ( -3.706 -0.159 -4.137) 5.557 1.355 ( -6.517 0.712 3.397) 7.383 1.473 ( -11.527 -1.299 -0.082) 11.600 1.479 ( -12.770 -2.207 -0.277) 12.963 1.568 ( -3.943 2.401 -1.113) 4.749 1.633 ( -0.417 -0.449 1.229) 1.373 1.684 ( 0.000 -2.755 -3.572) 4.511 1.721 ( 0.141 -1.503 -0.866) 1.740 1.763 ( -3.641 2.823 -2.983) 5.488 1.784 ( 2.714 -1.081 3.773) 4.772 1.871 ( -0.140 0.640 1.368) 1.517 1.924 ( -2.266 0.576 4.929) 5.455 2.001 ( -0.766 0.519 -2.545) 2.708 2.071 ( 3.608 -0.910 -0.047) 3.721 2.151 ( 4.038 0.175 -1.967) 4.495 2.219 ( 0.404 0.799 1.559) 1.798 2.244 ( 1.798 -0.270 -0.156) 1.825 2.269 ( 3.225 -0.931 0.598) 3.410 2.333 ( 2.105 1.040 -0.232) 2.360 2.352 ( 2.558 -0.443 0.742) 2.700 2.867 ( 3.407 0.193 -0.571) 3.460 2.897 ( 3.001 -0.142 0.320) 3.021 3.003 ( -6.398 -0.048 0.041) 6.398 3.016 ( -5.449 -0.676 -0.251) 5.497 3.041 ( -5.162 -0.725 -1.674) 5.475 3.107 ( -4.647 0.151 1.725) 4.959 3.905 ( 10.252 0.161 -0.250) 10.256 3.912 ( 10.325 0.114 0.084) 10.326 4.810 ( -3.927 0.061 -0.038) 3.927 4.815 ( -4.286 -0.041 0.101) 4.287 4.995 ( -1.272 0.078 -0.082) 1.277 5.002 ( -1.231 -0.112 0.053) 1.237 5.043 ( -0.718 0.119 -0.056) 0.730 5.050 ( -0.716 -0.108 0.041) 0.725 5.482 ( -1.455 0.169 0.046) 1.465 5.489 ( -1.483 -0.278 -0.065) 1.510 7.628 ( -1.425 0.174 0.190) 1.448 7.635 ( -1.118 -0.250 0.019) 1.146 8.373 ( -0.755 -0.897 -0.277) 1.204 8.383 ( -0.675 -0.898 -0.072) 1.126 8.482 ( 1.217 0.416 -0.238) 1.308 8.512 ( 1.450 0.090 1.071) 1.805 8.575 ( 0.134 2.570 -0.427) 2.609 8.647 ( -0.434 -2.051 -0.306) 2.118 ======================= Grid point 335 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.033 -0.569 -1.545) 1.647 0.896 ( 2.174 0.264 1.943) 2.927 0.940 ( -4.840 0.978 -0.593) 4.974 1.049 ( -2.564 -0.332 2.336) 3.484 1.238 ( -3.682 -0.053 -4.583) 5.879 1.451 ( -1.510 -0.320 2.822) 3.216 1.523 ( -1.759 -0.055 -3.811) 4.198 1.550 ( 1.188 -0.149 0.003) 1.197 1.627 ( -0.261 0.623 -0.194) 0.703 1.661 ( 2.533 -0.937 3.872) 4.721 1.705 ( 0.494 0.853 2.555) 2.738 1.739 ( -5.621 -1.354 2.586) 6.334 1.776 ( -0.739 -0.157 0.316) 0.819 1.800 ( 1.511 0.383 1.011) 1.858 1.903 ( 0.110 0.867 -4.287) 4.375 1.922 ( 4.989 -0.354 -4.749) 6.897 1.985 ( 0.249 0.366 -1.749) 1.804 2.037 ( -3.272 -0.967 -2.910) 4.484 2.171 ( -5.503 1.287 2.553) 6.201 2.207 ( 3.425 0.736 4.802) 5.944 2.245 ( -0.939 0.633 0.225) 1.155 2.272 ( -2.697 -0.503 0.197) 2.751 2.360 ( -8.069 0.474 -0.890) 8.132 2.378 ( -6.670 -0.056 -0.281) 6.676 2.796 ( 3.878 -0.225 -0.981) 4.006 2.837 ( 3.834 0.028 0.631) 3.886 3.095 ( -4.136 -0.316 -0.642) 4.198 3.101 ( -4.398 -0.114 -0.038) 4.400 3.116 ( -4.465 -0.331 -0.997) 4.587 3.187 ( -3.313 0.157 1.445) 3.618 3.699 ( 12.982 0.066 -0.347) 12.987 3.708 ( 12.931 0.080 0.024) 12.931 4.874 ( -3.381 -0.031 -0.331) 3.397 4.888 ( -3.796 0.013 0.202) 3.802 5.018 ( -1.252 0.024 -0.146) 1.261 5.023 ( -1.096 -0.015 0.006) 1.096 5.058 ( -0.857 0.129 0.019) 0.867 5.062 ( -0.625 -0.131 0.001) 0.639 5.506 ( -1.133 0.138 0.042) 1.142 5.509 ( -1.068 -0.222 -0.051) 1.092 7.653 ( -1.197 0.015 -0.123) 1.203 7.660 ( -1.720 0.017 0.124) 1.724 8.377 ( -0.676 -0.663 -0.474) 1.059 8.391 ( -0.725 -0.442 -0.102) 0.855 8.469 ( 0.685 0.406 0.294) 0.849 8.491 ( 1.220 -0.158 0.801) 1.468 8.581 ( 0.707 1.949 -0.952) 2.281 8.631 ( 0.523 -1.566 0.020) 1.651 ======================= Grid point 336 (130/171) ======================= q-point: ( 0.80 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -7.815 0.000 -1.333) 7.928 0.903 ( -3.133 0.000 -1.570) 3.504 1.043 ( -6.729 0.000 1.771) 6.958 1.083 ( -0.741 0.000 1.169) 1.384 1.277 ( -2.859 0.000 -4.005) 4.921 1.417 ( 4.304 -0.000 0.412) 4.324 1.515 ( 3.309 -0.000 2.928) 4.418 1.561 ( -2.870 0.000 -2.913) 4.089 1.592 ( 8.173 -0.000 1.172) 8.257 1.627 ( 2.026 -0.000 -0.493) 2.085 1.694 ( 5.939 -0.000 -4.552) 7.482 1.714 ( -1.759 0.000 5.880) 6.137 1.749 ( 2.085 -0.000 1.030) 2.325 1.795 ( -0.676 0.000 0.190) 0.702 1.846 ( 1.873 -0.000 0.180) 1.882 1.912 ( -1.696 0.000 -2.438) 2.970 2.004 ( -3.162 0.000 -2.748) 4.189 2.055 ( 0.042 -0.000 -3.500) 3.501 2.138 ( 5.010 -0.000 1.779) 5.316 2.248 ( -1.264 0.000 2.302) 2.627 2.278 ( -1.563 0.000 -0.262) 1.585 2.318 ( -2.246 0.000 0.297) 2.266 2.584 ( -13.958 0.000 -0.031) 13.958 2.591 ( -14.522 0.000 0.138) 14.523 2.739 ( 1.487 -0.000 -0.675) 1.633 2.777 ( 2.975 -0.000 0.414) 3.003 3.147 ( -2.413 0.000 -0.925) 2.584 3.159 ( -2.419 0.000 -0.179) 2.426 3.177 ( -2.642 0.000 -0.244) 2.653 3.234 ( -1.436 0.000 0.994) 1.746 3.460 ( 13.291 -0.000 -0.315) 13.295 3.472 ( 13.287 -0.000 0.036) 13.287 4.922 ( -2.161 0.000 -0.434) 2.204 4.943 ( -2.163 0.000 0.149) 2.168 5.036 ( -0.796 0.000 -0.123) 0.806 5.037 ( -0.569 0.000 -0.081) 0.575 5.068 ( -0.157 0.000 -0.072) 0.173 5.074 ( -0.759 0.000 0.113) 0.768 5.522 ( -0.496 0.000 -0.024) 0.496 5.523 ( -0.659 0.000 0.021) 0.659 7.669 ( -0.698 0.000 -0.363) 0.787 7.687 ( -1.127 0.000 0.126) 1.134 8.386 ( -0.927 0.000 -0.433) 1.023 8.400 ( -0.584 0.000 -0.208) 0.620 8.464 ( 0.348 -0.000 0.516) 0.622 8.476 ( 0.711 -0.000 0.517) 0.879 8.571 ( 0.687 -0.000 -1.192) 1.376 8.615 ( 0.497 -0.000 0.220) 0.544 ======================= Grid point 344 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 9.665 8.228) 12.693 0.734 ( 0.000 13.627 1.860) 13.753 0.865 ( -0.000 12.124 -2.518) 12.383 0.934 ( -0.000 5.400 -5.930) 8.020 0.983 ( 0.000 12.906 5.307) 13.954 1.051 ( 0.000 0.317 2.312) 2.333 1.172 ( -0.000 0.878 -0.342) 0.942 1.187 ( 0.000 1.346 0.932) 1.637 1.649 ( -0.000 -2.318 -3.704) 4.370 1.666 ( -0.000 -3.286 -0.474) 3.320 1.693 ( -0.000 -1.971 -3.932) 4.398 1.701 ( -0.000 -1.549 -2.795) 3.195 1.804 ( 0.000 -3.955 1.316) 4.168 1.812 ( 0.000 -3.798 1.118) 3.959 1.822 ( 0.000 -1.136 3.656) 3.829 1.945 ( -0.000 -0.790 -2.671) 2.785 2.067 ( 0.000 -2.385 3.553) 4.279 2.068 ( 0.000 -1.748 2.909) 3.394 2.255 ( 0.000 -0.463 2.178) 2.226 2.343 ( -0.000 1.493 0.062) 1.494 2.352 ( -0.000 -0.064 -0.568) 0.571 2.377 ( 0.000 -2.673 0.595) 2.739 2.419 ( 0.000 -0.148 0.132) 0.198 2.501 ( -0.000 -2.261 -3.659) 4.301 2.826 ( -0.000 -0.357 -0.231) 0.425 2.842 ( -0.000 -0.872 -0.512) 1.011 2.890 ( 0.000 1.256 1.957) 2.326 2.923 ( 0.000 0.641 0.456) 0.787 2.980 ( -0.000 0.322 -0.955) 1.008 2.998 ( -0.000 -0.922 -0.925) 1.306 4.102 ( 0.000 0.793 0.475) 0.924 4.122 ( 0.000 -0.280 0.150) 0.317 4.714 ( 0.000 0.030 0.030) 0.042 4.716 ( 0.000 -0.010 -0.001) 0.010 4.969 ( 0.000 -0.002 0.192) 0.192 4.977 ( -0.000 -0.250 -0.069) 0.259 5.028 ( 0.000 0.131 0.075) 0.151 5.037 ( -0.000 -0.106 -0.174) 0.203 5.445 ( 0.000 0.334 0.053) 0.338 5.447 ( -0.000 0.276 -0.019) 0.276 7.600 ( 0.000 0.134 0.347) 0.372 7.622 ( -0.000 -0.495 -0.263) 0.560 8.352 ( 0.000 0.200 0.351) 0.403 8.387 ( -0.000 -1.132 -0.769) 1.369 8.506 ( 0.000 1.394 0.443) 1.463 8.542 ( -0.000 1.283 -0.700) 1.462 8.575 ( 0.000 -0.646 0.498) 0.816 8.604 ( -0.000 -0.146 -0.533) 0.553 ======================= Grid point 345 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -4.585 8.048 5.157) 10.601 0.833 ( -0.435 11.882 2.548) 12.160 0.916 ( 0.409 3.629 -3.053) 4.760 1.020 ( -2.424 3.097 0.037) 3.933 1.132 ( -5.024 3.289 -0.545) 6.029 1.178 ( -8.667 -0.493 1.256) 8.771 1.218 ( -12.152 5.826 0.744) 13.496 1.275 ( -6.174 2.374 1.425) 6.766 1.570 ( 2.427 -2.261 -2.117) 3.935 1.630 ( 0.889 -0.374 -0.903) 1.321 1.689 ( -1.559 -1.441 -3.812) 4.364 1.716 ( -2.539 -4.104 -0.907) 4.911 1.730 ( 1.857 -3.523 -0.594) 4.026 1.821 ( -0.585 -2.406 1.510) 2.900 1.863 ( -2.119 1.263 2.968) 3.860 1.943 ( -0.739 -0.290 -0.099) 0.800 2.010 ( 3.749 -1.622 1.884) 4.499 2.103 ( -1.139 -1.770 2.398) 3.191 2.220 ( 3.879 1.052 1.030) 4.149 2.268 ( 5.544 0.125 0.582) 5.576 2.310 ( 3.980 -0.717 -0.451) 4.070 2.333 ( 3.652 0.345 -0.857) 3.768 2.396 ( 5.077 -1.481 -2.711) 5.943 2.420 ( 2.380 -0.646 1.708) 3.000 2.887 ( -6.187 -0.362 -0.050) 6.198 2.901 ( -3.508 -0.638 0.093) 3.567 2.910 ( -0.166 0.260 0.047) 0.312 2.944 ( -2.175 -0.045 -0.192) 2.184 2.965 ( -0.753 0.328 -0.866) 1.194 3.033 ( -4.026 -0.198 0.631) 4.080 4.050 ( 6.314 0.374 0.144) 6.326 4.062 ( 6.412 -0.056 0.102) 6.413 4.744 ( -3.176 0.075 0.064) 3.177 4.748 ( -3.179 -0.025 0.052) 3.179 4.976 ( -0.746 0.039 0.057) 0.749 4.984 ( -0.875 -0.205 -0.006) 0.898 5.033 ( -0.355 0.108 -0.005) 0.372 5.040 ( -0.497 -0.074 -0.039) 0.504 5.457 ( -1.102 0.222 0.023) 1.124 5.463 ( -1.392 -0.033 -0.037) 1.393 7.608 ( -0.693 0.138 0.325) 0.778 7.622 ( -0.552 -0.336 -0.090) 0.652 8.363 ( -0.860 -0.369 0.171) 0.951 8.380 ( -0.395 -1.107 -0.448) 1.257 8.502 ( 1.403 0.400 -0.308) 1.491 8.538 ( 1.125 0.748 0.880) 1.612 8.558 ( 0.388 1.822 -0.159) 1.870 8.636 ( -2.200 -1.445 -0.518) 2.683 ======================= Grid point 346 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -1.355 4.917 1.184) 5.236 0.869 ( 0.466 1.596 -1.124) 2.007 0.948 ( 1.767 5.454 4.093) 7.044 1.027 ( 0.667 -0.167 0.493) 0.846 1.160 ( -3.118 -0.838 -2.898) 4.339 1.372 ( -6.787 0.622 0.607) 6.843 1.473 ( -12.184 -1.127 -0.256) 12.239 1.482 ( -10.240 -2.253 1.465) 10.587 1.561 ( -5.895 1.818 -0.793) 6.220 1.641 ( -1.529 -0.382 0.646) 1.704 1.657 ( -0.271 -1.857 -2.537) 3.156 1.719 ( -1.304 -1.157 -0.346) 1.778 1.741 ( -3.133 1.330 -1.734) 3.820 1.813 ( 2.592 -0.299 3.064) 4.024 1.873 ( 0.911 -0.104 -0.331) 0.975 1.969 ( 0.767 0.841 4.610) 4.748 1.981 ( -1.582 0.634 -1.456) 2.242 2.069 ( 4.557 -0.206 -0.386) 4.578 2.134 ( 4.159 0.116 -2.143) 4.680 2.231 ( -0.863 0.745 1.275) 1.710 2.244 ( 1.914 -0.303 0.129) 1.942 2.270 ( 2.724 -0.777 -0.240) 2.843 2.330 ( 0.909 0.776 -0.318) 1.237 2.360 ( 3.967 -0.519 1.118) 4.154 2.862 ( 3.614 -0.031 -0.524) 3.652 2.900 ( 2.964 0.221 0.259) 2.983 3.003 ( -6.552 -0.200 0.070) 6.555 3.014 ( -5.437 -0.643 -0.208) 5.479 3.029 ( -5.121 -0.891 -1.303) 5.358 3.120 ( -4.650 0.342 1.287) 4.836 3.903 ( 10.327 0.104 -0.218) 10.330 3.913 ( 10.360 0.129 0.050) 10.361 4.810 ( -3.795 0.019 -0.023) 3.795 4.816 ( -4.351 -0.008 0.086) 4.352 4.995 ( -1.240 0.037 -0.072) 1.243 5.002 ( -1.224 -0.080 0.042) 1.228 5.043 ( -0.747 0.059 -0.051) 0.751 5.051 ( -0.700 -0.053 0.036) 0.703 5.482 ( -1.492 0.095 0.055) 1.496 5.488 ( -1.443 -0.185 -0.074) 1.456 7.629 ( -1.407 0.114 0.214) 1.428 7.635 ( -1.060 -0.154 -0.005) 1.071 8.371 ( -0.617 -0.975 -0.229) 1.176 8.382 ( -0.701 -0.769 -0.141) 1.050 8.481 ( 1.015 0.449 0.003) 1.110 8.520 ( 1.547 0.090 0.896) 1.790 8.571 ( 0.282 2.499 -0.448) 2.554 8.645 ( -0.517 -1.925 -0.329) 2.020 ======================= Grid point 347 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.159 -0.804 -0.936) 1.244 0.905 ( 3.418 0.358 0.319) 3.452 0.941 ( -5.270 0.474 0.672) 5.334 1.066 ( -2.137 0.475 1.836) 2.857 1.206 ( -3.622 -0.382 -3.059) 4.756 1.466 ( -2.268 -0.134 0.831) 2.419 1.497 ( 0.168 -0.202 -2.201) 2.217 1.552 ( -0.247 -0.304 0.544) 0.671 1.622 ( 0.357 -0.434 -0.683) 0.884 1.692 ( -1.147 -0.380 3.415) 3.623 1.727 ( 1.879 1.313 2.947) 3.734 1.758 ( -4.267 -0.265 1.945) 4.697 1.781 ( 0.570 -0.546 0.913) 1.207 1.808 ( -0.264 0.730 1.052) 1.307 1.866 ( -1.395 0.281 -4.586) 4.802 1.885 ( 4.341 -0.356 -4.043) 5.943 1.973 ( 4.251 0.106 -1.190) 4.416 2.015 ( -2.188 -1.345 -2.500) 3.585 2.190 ( -6.565 1.551 1.962) 7.026 2.242 ( 3.712 0.942 3.604) 5.258 2.247 ( -0.834 0.321 0.188) 0.913 2.272 ( -2.153 -0.042 -0.051) 2.154 2.352 ( -9.130 0.283 -0.983) 9.187 2.376 ( -6.680 -0.237 -0.297) 6.691 2.789 ( 3.903 -0.292 -0.691) 3.975 2.841 ( 3.833 0.145 0.403) 3.857 3.089 ( -3.913 -0.375 -0.658) 3.986 3.101 ( -4.352 -0.225 0.009) 4.358 3.110 ( -4.803 -0.278 -0.476) 4.834 3.197 ( -3.212 0.204 0.938) 3.352 3.696 ( 12.992 0.053 -0.259) 12.995 3.708 ( 12.930 0.074 -0.005) 12.930 4.872 ( -3.283 -0.048 -0.224) 3.291 4.890 ( -3.810 0.012 0.120) 3.812 5.017 ( -1.246 0.012 -0.105) 1.250 5.023 ( -1.056 -0.012 -0.009) 1.056 5.058 ( -0.948 0.056 0.017) 0.949 5.062 ( -0.555 -0.061 -0.001) 0.559 5.507 ( -1.149 0.064 0.050) 1.152 5.509 ( -1.055 -0.145 -0.057) 1.067 7.652 ( -1.058 -0.000 -0.081) 1.061 7.661 ( -1.742 0.025 0.082) 1.744 8.374 ( -0.643 -0.696 -0.319) 0.999 8.390 ( -0.686 -0.396 -0.155) 0.807 8.472 ( 0.574 0.432 0.385) 0.816 8.497 ( 1.294 -0.202 0.572) 1.429 8.574 ( 0.823 1.710 -0.796) 2.058 8.631 ( 0.470 -1.323 -0.022) 1.404 ======================= Grid point 348 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -7.884 0.000 -0.685) 7.914 0.891 ( -2.388 0.000 -1.131) 2.643 1.057 ( -7.639 0.000 1.355) 7.758 1.090 ( -0.256 0.000 0.630) 0.680 1.251 ( -2.823 0.000 -2.312) 3.649 1.419 ( 4.631 -0.000 0.213) 4.636 1.542 ( -3.175 0.000 -1.754) 3.627 1.544 ( 3.026 -0.000 4.057) 5.061 1.599 ( 9.690 -0.000 0.605) 9.708 1.615 ( -0.184 0.000 -2.809) 2.815 1.662 ( 9.014 -0.000 -2.650) 9.396 1.753 ( 2.353 -0.000 0.175) 2.359 1.759 ( -2.862 0.000 4.680) 5.486 1.797 ( -1.293 0.000 0.187) 1.306 1.853 ( 2.811 -0.000 1.182) 3.049 1.890 ( -1.679 0.000 -2.579) 3.077 1.984 ( -4.720 0.000 -1.993) 5.123 2.029 ( -0.481 0.000 -2.466) 2.513 2.151 ( 6.308 -0.000 1.128) 6.408 2.263 ( -1.017 0.000 1.283) 1.637 2.276 ( -1.524 0.000 -0.063) 1.526 2.319 ( -2.283 0.000 0.036) 2.283 2.584 ( -14.019 0.000 -0.016) 14.019 2.592 ( -14.503 0.000 0.058) 14.503 2.734 ( 1.221 -0.000 -0.362) 1.273 2.779 ( 3.090 -0.000 0.214) 3.097 3.141 ( -2.421 0.000 -0.550) 2.483 3.158 ( -2.383 0.000 -0.105) 2.385 3.176 ( -2.709 0.000 -0.089) 2.711 3.241 ( -1.343 0.000 0.526) 1.443 3.458 ( 13.275 -0.000 -0.185) 13.277 3.472 ( 13.268 -0.000 0.010) 13.268 4.919 ( -2.140 0.000 -0.242) 2.154 4.944 ( -2.142 0.000 0.066) 2.143 5.035 ( -0.808 0.000 -0.075) 0.812 5.037 ( -0.552 0.000 -0.051) 0.554 5.067 ( -0.107 0.000 -0.036) 0.113 5.075 ( -0.805 0.000 0.060) 0.807 5.521 ( -0.482 0.000 -0.013) 0.482 5.523 ( -0.673 0.000 0.011) 0.674 7.667 ( -0.626 0.000 -0.202) 0.658 7.687 ( -1.128 0.000 0.056) 1.130 8.384 ( -0.944 0.000 -0.238) 0.974 8.399 ( -0.555 0.000 -0.151) 0.576 8.468 ( 0.346 -0.000 0.399) 0.529 8.479 ( 0.764 -0.000 0.286) 0.816 8.563 ( 0.697 -0.000 -0.740) 1.016 8.616 ( 0.467 -0.000 0.085) 0.475 ======================= Grid point 349 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -7.908 0.000 -0.000) 7.908 0.886 ( -2.160 0.000 -0.000) 2.160 1.063 ( -7.977 0.000 -0.000) 7.977 1.093 ( -0.067 0.000 -0.000) 0.067 1.241 ( -2.746 0.000 -0.000) 2.746 1.420 ( 4.724 -0.000 0.000) 4.724 1.534 ( -3.222 0.000 -0.000) 3.222 1.575 ( 5.112 -0.000 0.000) 5.112 1.588 ( -2.471 0.000 -0.000) 2.471 1.602 ( 10.147 -0.000 0.000) 10.147 1.652 ( 9.365 -0.000 0.000) 9.365 1.753 ( 2.401 -0.000 0.000) 2.401 1.780 ( -2.327 0.000 -0.000) 2.327 1.799 ( -2.992 0.000 -0.000) 2.992 1.859 ( 3.593 -0.000 0.000) 3.593 1.877 ( -0.998 0.000 -0.000) 0.998 1.975 ( -5.611 0.000 -0.000) 5.611 2.018 ( -0.636 0.000 -0.000) 0.636 2.155 ( 6.661 -0.000 0.000) 6.661 2.268 ( -0.912 0.000 -0.000) 0.912 2.276 ( -1.512 0.000 -0.000) 1.512 2.319 ( -2.306 0.000 -0.000) 2.306 2.584 ( -14.048 0.000 -0.000) 14.048 2.593 ( -14.483 0.000 -0.000) 14.483 2.733 ( 1.113 -0.000 0.000) 1.113 2.780 ( 3.131 -0.000 0.000) 3.131 3.139 ( -2.427 0.000 -0.000) 2.427 3.157 ( -2.370 0.000 -0.000) 2.370 3.175 ( -2.728 0.000 -0.000) 2.728 3.243 ( -1.311 0.000 -0.000) 1.311 3.457 ( 13.270 -0.000 0.000) 13.270 3.472 ( 13.261 -0.000 0.000) 13.261 4.918 ( -2.132 0.000 -0.000) 2.132 4.944 ( -2.134 0.000 -0.000) 2.134 5.035 ( -0.812 0.000 -0.000) 0.812 5.037 ( -0.546 0.000 -0.000) 0.546 5.067 ( -0.090 0.000 -0.000) 0.090 5.075 ( -0.820 0.000 -0.000) 0.820 5.521 ( -0.477 0.000 -0.000) 0.477 5.523 ( -0.679 0.000 -0.000) 0.679 7.666 ( -0.600 0.000 -0.000) 0.600 7.688 ( -1.128 0.000 -0.000) 1.128 8.383 ( -0.949 0.000 -0.000) 0.949 8.398 ( -0.547 0.000 -0.000) 0.547 8.470 ( 0.348 -0.000 0.000) 0.348 8.481 ( 0.784 -0.000 0.000) 0.784 8.560 ( 0.700 -0.000 0.000) 0.700 8.617 ( 0.456 -0.000 0.000) 0.456 ======================= Grid point 355 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -0.000 7.826 9.473) 12.288 0.752 ( 0.000 13.172 2.499) 13.407 0.844 ( -0.000 11.876 -2.602) 12.158 0.881 ( -0.000 4.784 -7.111) 8.571 1.029 ( 0.000 12.287 5.804) 13.589 1.071 ( -0.000 1.420 2.697) 3.047 1.167 ( -0.000 1.136 -0.946) 1.479 1.189 ( -0.000 3.277 -0.696) 3.350 1.626 ( 0.000 -2.071 -1.855) 2.781 1.657 ( 0.000 -4.749 -2.075) 5.182 1.667 ( 0.000 -0.379 -1.733) 1.774 1.681 ( -0.000 -1.920 -2.245) 2.954 1.811 ( 0.000 -5.043 0.435) 5.062 1.816 ( 0.000 -4.324 -0.061) 4.324 1.850 ( -0.000 -0.060 3.220) 3.220 1.927 ( 0.000 0.009 -1.923) 1.923 2.091 ( -0.000 -1.731 2.650) 3.166 2.093 ( -0.000 -2.166 2.663) 3.432 2.277 ( 0.000 -0.524 3.331) 3.372 2.344 ( -0.000 1.170 0.202) 1.188 2.348 ( -0.000 0.318 -0.453) 0.554 2.380 ( -0.000 -2.729 0.111) 2.732 2.420 ( -0.000 -0.540 0.005) 0.540 2.467 ( 0.000 -1.485 -4.312) 4.561 2.825 ( 0.000 -0.470 0.017) 0.471 2.838 ( -0.000 -0.834 -0.574) 1.012 2.907 ( 0.000 1.042 2.146) 2.386 2.927 ( -0.000 0.681 0.547) 0.874 2.972 ( 0.000 0.529 -0.960) 1.097 2.989 ( -0.000 -0.502 -1.324) 1.416 4.107 ( 0.000 0.647 0.624) 0.899 4.123 ( -0.000 -0.194 -0.059) 0.203 4.715 ( 0.000 0.036 0.036) 0.051 4.716 ( -0.000 0.007 -0.007) 0.010 4.971 ( 0.000 -0.073 0.222) 0.234 4.977 ( 0.000 -0.232 -0.106) 0.255 5.029 ( 0.000 0.114 0.112) 0.160 5.035 ( -0.000 -0.045 -0.206) 0.211 5.445 ( -0.000 0.325 0.062) 0.331 5.447 ( 0.000 0.285 -0.030) 0.287 7.603 ( -0.000 0.129 0.459) 0.477 7.619 ( -0.000 -0.326 -0.372) 0.495 8.355 ( -0.000 0.138 0.506) 0.524 8.380 ( 0.000 -0.749 -0.904) 1.174 8.510 ( -0.000 1.335 0.614) 1.470 8.536 ( -0.000 1.185 -0.801) 1.430 8.579 ( 0.000 -0.391 0.548) 0.673 8.599 ( 0.000 -0.063 -0.613) 0.617 ======================= Grid point 356 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -2.959 6.542 5.583) 9.095 0.839 ( -0.319 8.572 -1.852) 8.775 0.904 ( -2.547 5.614 0.611) 6.195 1.017 ( -2.645 6.456 -0.750) 7.017 1.130 ( -2.052 1.678 0.177) 2.657 1.187 ( -9.464 2.026 0.975) 9.728 1.227 ( -11.062 4.266 1.540) 11.956 1.277 ( -6.472 1.890 -0.782) 6.787 1.560 ( 1.785 -1.932 -0.379) 2.658 1.623 ( 0.884 0.183 -0.660) 1.118 1.660 ( -1.310 -1.930 -3.147) 3.917 1.710 ( -3.001 -2.698 -0.660) 4.089 1.726 ( 1.948 -4.514 -0.285) 4.925 1.828 ( -1.602 -3.669 0.376) 4.021 1.886 ( -1.319 1.838 2.751) 3.562 1.938 ( -1.468 1.521 -0.927) 2.308 2.028 ( 4.005 -2.643 2.066) 5.224 2.118 ( -0.089 -1.496 1.355) 2.020 2.231 ( 4.839 1.422 1.473) 5.254 2.273 ( 6.624 -0.501 0.749) 6.685 2.310 ( 3.516 -0.836 0.407) 3.637 2.326 ( 3.263 0.603 -0.810) 3.416 2.370 ( 4.354 -1.064 -3.385) 5.617 2.432 ( 1.641 -1.082 1.271) 2.341 2.886 ( -6.334 -0.549 -0.052) 6.358 2.901 ( -4.341 -0.718 -0.074) 4.401 2.912 ( 0.306 0.218 0.383) 0.537 2.942 ( -0.038 0.228 -0.481) 0.534 2.960 ( -1.660 0.155 -0.488) 1.737 3.038 ( -4.559 0.277 0.454) 4.590 4.051 ( 6.505 0.215 0.140) 6.510 4.062 ( 6.421 0.044 0.049) 6.421 4.745 ( -3.251 0.050 0.055) 3.252 4.748 ( -3.127 0.010 0.037) 3.127 4.977 ( -0.691 -0.010 0.046) 0.693 4.984 ( -0.902 -0.173 -0.005) 0.919 5.033 ( -0.323 0.070 -0.005) 0.331 5.040 ( -0.546 -0.027 -0.030) 0.547 5.457 ( -1.130 0.181 0.020) 1.145 5.463 ( -1.336 0.038 -0.031) 1.337 7.611 ( -0.643 0.063 0.321) 0.722 7.621 ( -0.600 -0.155 -0.131) 0.633 8.364 ( -0.686 -0.444 0.205) 0.842 8.377 ( -0.501 -0.852 -0.432) 1.079 8.501 ( 1.516 0.321 -0.154) 1.557 8.544 ( 0.550 1.236 0.704) 1.525 8.557 ( 0.791 1.476 -0.181) 1.684 8.632 ( -2.169 -1.341 -0.437) 2.588 ======================= Grid point 357 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.730 3.731 1.609) 4.128 0.856 ( -1.605 1.406 -1.773) 2.775 0.982 ( 3.187 5.528 3.765) 7.409 1.027 ( 0.195 1.873 -0.635) 1.987 1.142 ( -2.657 -1.445 -1.467) 3.361 1.369 ( -6.572 0.281 -0.740) 6.620 1.471 ( -11.892 -1.041 -0.178) 11.939 1.501 ( -11.482 -1.609 2.717) 11.908 1.551 ( -4.859 0.162 -1.789) 5.181 1.643 ( -4.345 0.413 -0.179) 4.368 1.646 ( 0.445 -1.515 -0.264) 1.601 1.707 ( -2.488 1.017 -1.856) 3.266 1.742 ( -2.270 -1.156 1.118) 2.782 1.828 ( 1.544 0.363 0.600) 1.696 1.874 ( 3.921 -0.850 0.853) 4.102 1.958 ( -1.033 0.842 -2.199) 2.572 2.015 ( 2.097 0.668 4.672) 5.164 2.065 ( 2.506 0.554 -0.690) 2.658 2.116 ( 5.460 0.059 -2.083) 5.844 2.238 ( -0.972 0.735 0.466) 1.305 2.247 ( 1.667 -0.606 0.798) 1.945 2.266 ( 2.362 -0.329 -0.757) 2.502 2.328 ( -0.106 0.392 -0.274) 0.490 2.368 ( 4.801 -0.521 0.824) 4.899 2.859 ( 3.767 -0.159 -0.311) 3.784 2.901 ( 2.945 0.469 0.139) 2.985 3.004 ( -6.704 -0.395 0.093) 6.716 3.013 ( -5.512 -0.686 -0.034) 5.555 3.020 ( -4.978 -0.851 -0.837) 5.119 3.128 ( -4.640 0.456 0.687) 4.713 3.901 ( 10.383 0.064 -0.127) 10.384 3.913 ( 10.393 0.134 0.022) 10.394 4.810 ( -3.703 -0.008 -0.009) 3.703 4.816 ( -4.390 0.013 0.048) 4.390 4.994 ( -1.217 0.012 -0.041) 1.218 5.002 ( -1.216 -0.062 0.022) 1.218 5.042 ( -0.768 0.019 -0.029) 0.769 5.051 ( -0.689 -0.017 0.021) 0.690 5.483 ( -1.536 0.014 0.041) 1.536 5.488 ( -1.397 -0.089 -0.053) 1.401 7.631 ( -1.425 0.029 0.163) 1.434 7.635 ( -0.981 -0.041 -0.034) 0.983 8.369 ( -0.533 -1.018 -0.126) 1.156 8.381 ( -0.693 -0.684 -0.110) 0.980 8.482 ( 0.853 0.478 0.076) 0.980 8.526 ( 1.624 0.089 0.515) 1.706 8.568 ( 0.408 2.444 -0.290) 2.495 8.642 ( -0.590 -1.828 -0.216) 1.933 ======================= Grid point 358 (140/171) ======================= q-point: ( 0.90 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.235 -0.924 -0.312) 1.004 0.905 ( 3.400 0.178 -0.111) 3.406 0.947 ( -4.780 0.524 0.487) 4.834 1.077 ( -1.813 0.871 0.707) 2.131 1.189 ( -3.579 -0.604 -1.084) 3.788 1.465 ( -4.605 -0.033 -0.459) 4.628 1.489 ( 3.022 -0.240 -0.158) 3.036 1.557 ( -1.439 -0.395 0.336) 1.530 1.618 ( 1.151 -0.986 -0.374) 1.561 1.711 ( -4.833 0.207 1.032) 4.947 1.754 ( 4.661 1.319 3.035) 5.716 1.768 ( -0.948 0.562 0.292) 1.139 1.789 ( 2.146 -0.454 0.704) 2.304 1.814 ( -3.169 1.724 -0.143) 3.610 1.835 ( -7.101 -1.040 -2.027) 7.457 1.859 ( 6.877 -0.858 -2.095) 7.241 1.966 ( 6.265 0.112 -0.474) 6.284 1.999 ( -1.302 -1.627 -1.021) 2.320 2.202 ( -7.064 1.677 0.778) 7.302 2.248 ( -0.832 0.173 0.074) 0.853 2.264 ( 2.320 1.012 1.634) 3.013 2.271 ( 0.620 0.329 -0.278) 0.755 2.345 ( -10.538 0.135 -0.532) 10.552 2.374 ( -6.698 -0.412 -0.125) 6.712 2.785 ( 3.916 -0.322 -0.250) 3.937 2.843 ( 3.835 0.208 0.139) 3.843 3.085 ( -3.847 -0.428 -0.263) 3.880 3.101 ( -4.270 -0.351 0.012) 4.284 3.108 ( -4.984 -0.165 -0.145) 4.989 3.202 ( -3.158 0.226 0.325) 3.182 3.695 ( 12.998 0.044 -0.096) 12.999 3.708 ( 12.930 0.070 -0.005) 12.930 4.871 ( -3.227 -0.057 -0.079) 3.229 4.890 ( -3.814 0.011 0.039) 3.814 5.016 ( -1.240 0.006 -0.038) 1.241 5.023 ( -1.034 -0.012 -0.005) 1.034 5.058 ( -1.006 0.009 0.007) 1.006 5.062 ( -0.508 -0.015 -0.001) 0.509 5.507 ( -1.183 -0.022 0.033) 1.183 5.508 ( -1.023 -0.056 -0.036) 1.026 7.652 ( -0.981 -0.008 -0.028) 0.982 7.661 ( -1.747 0.027 0.029) 1.748 8.372 ( -0.624 -0.714 -0.112) 0.955 8.389 ( -0.665 -0.370 -0.069) 0.764 8.475 ( 0.507 0.457 0.177) 0.705 8.500 ( 1.333 -0.240 0.209) 1.371 8.569 ( 0.903 1.596 -0.316) 1.861 8.631 ( 0.440 -1.203 -0.016) 1.281 ======================= Grid point 366 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 6.339 9.450) 11.380 0.774 ( 0.000 12.601 2.806) 12.909 0.819 ( -0.000 4.885 -7.975) 9.352 0.822 ( -0.000 11.931 -2.812) 12.258 1.075 ( 0.000 10.926 5.097) 12.057 1.093 ( 0.000 2.972 2.361) 3.796 1.157 ( -0.000 1.332 -1.172) 1.774 1.176 ( 0.000 4.669 -2.460) 5.277 1.619 ( 0.000 -2.275 0.001) 2.275 1.638 ( 0.000 -3.734 -2.096) 4.282 1.659 ( -0.000 -1.111 -0.535) 1.233 1.665 ( -0.000 -1.989 -1.402) 2.434 1.812 ( 0.000 -5.486 0.003) 5.486 1.814 ( 0.000 -4.968 -0.312) 4.978 1.875 ( -0.000 0.622 2.757) 2.826 1.912 ( 0.000 0.617 -1.844) 1.944 2.109 ( 0.000 -1.807 1.526) 2.365 2.110 ( -0.000 -2.027 1.395) 2.461 2.308 ( 0.000 -0.258 3.986) 3.994 2.344 ( 0.000 0.928 -0.526) 1.067 2.346 ( 0.000 0.419 0.526) 0.672 2.375 ( -0.000 -2.713 -1.518) 3.109 2.420 ( -0.000 -0.893 -0.031) 0.893 2.435 ( 0.000 -0.952 -3.039) 3.185 2.827 ( 0.000 -0.587 0.244) 0.636 2.833 ( -0.000 -0.771 -0.529) 0.935 2.923 ( 0.000 0.762 1.713) 1.875 2.931 ( -0.000 0.668 0.429) 0.794 2.966 ( 0.000 0.655 -0.437) 0.788 2.977 ( -0.000 0.002 -1.485) 1.485 4.112 ( 0.000 0.450 0.662) 0.800 4.121 ( -0.000 -0.014 -0.340) 0.340 4.715 ( 0.000 0.039 0.034) 0.051 4.715 ( -0.000 0.023 -0.016) 0.028 4.973 ( -0.000 -0.134 0.213) 0.252 4.976 ( 0.000 -0.209 -0.144) 0.254 5.030 ( 0.000 0.090 0.149) 0.174 5.033 ( -0.000 0.011 -0.205) 0.205 5.446 ( -0.000 0.316 0.061) 0.322 5.447 ( 0.000 0.296 -0.042) 0.299 7.607 ( 0.000 0.087 0.512) 0.520 7.616 ( -0.000 -0.152 -0.458) 0.482 8.360 ( -0.000 0.028 0.650) 0.651 8.373 ( 0.000 -0.407 -0.886) 0.975 8.516 ( -0.000 1.273 0.735) 1.470 8.529 ( 0.000 1.177 -0.828) 1.440 8.584 ( 0.000 -0.211 0.572) 0.609 8.594 ( 0.000 -0.043 -0.617) 0.618 ======================= Grid point 367 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -1.739 4.951 4.870) 7.159 0.810 ( -0.166 6.833 -4.185) 8.014 0.916 ( -5.297 6.842 1.243) 8.742 1.011 ( -2.262 8.936 -0.591) 9.237 1.133 ( 0.093 0.428 0.197) 0.480 1.192 ( -11.107 4.797 0.258) 12.101 1.243 ( -8.941 2.185 2.434) 9.520 1.264 ( -7.035 1.692 -2.293) 7.590 1.560 ( 1.090 -1.780 0.242) 2.101 1.620 ( 1.267 0.480 -0.001) 1.355 1.640 ( -1.301 -2.196 -1.520) 2.971 1.706 ( -2.737 -1.848 -0.345) 3.320 1.725 ( 1.324 -4.932 -0.006) 5.107 1.829 ( -2.099 -4.282 -0.010) 4.769 1.906 ( -1.088 1.725 1.788) 2.712 1.929 ( -1.206 2.587 -1.107) 3.061 2.040 ( 3.526 -2.959 0.822) 4.676 2.125 ( 0.700 -1.426 0.381) 1.634 2.241 ( 5.360 1.950 0.717) 5.749 2.279 ( 8.172 -1.092 0.473) 8.258 2.318 ( 3.792 -0.108 1.134) 3.960 2.321 ( 2.348 -0.336 0.263) 2.387 2.343 ( 3.034 -0.649 -3.072) 4.367 2.440 ( 1.318 -1.239 0.457) 1.866 2.886 ( -6.393 -0.752 -0.022) 6.437 2.900 ( -4.660 -0.617 -0.051) 4.700 2.915 ( 0.353 0.085 0.279) 0.458 2.938 ( 1.174 0.553 -0.347) 1.343 2.957 ( -2.118 -0.051 -0.118) 2.122 3.040 ( -4.858 0.550 0.163) 4.892 4.052 ( 6.645 0.093 0.060) 6.646 4.062 ( 6.400 0.133 0.010) 6.401 4.745 ( -3.305 0.031 0.022) 3.306 4.748 ( -3.087 0.036 0.012) 3.087 4.977 ( -0.655 -0.042 0.017) 0.657 4.984 ( -0.921 -0.152 -0.002) 0.934 5.032 ( -0.303 0.045 -0.002) 0.306 5.039 ( -0.576 0.003 -0.011) 0.576 5.457 ( -1.150 0.153 0.008) 1.160 5.463 ( -1.299 0.084 -0.012) 1.302 7.613 ( -0.587 -0.043 0.160) 0.610 7.620 ( -0.654 0.017 -0.088) 0.660 8.366 ( -0.497 -0.540 0.130) 0.745 8.374 ( -0.646 -0.651 -0.217) 0.942 8.500 ( 1.550 0.289 -0.044) 1.577 8.549 ( -0.214 1.965 0.329) 2.004 8.555 ( 1.482 0.826 -0.134) 1.702 8.629 ( -2.149 -1.287 -0.173) 2.511 ======================= Grid point 368 (143/171) ======================= q-point: (-0.10 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 3.291 2.971 -0.000) 4.433 0.847 ( -4.219 1.871 -0.000) 4.615 1.002 ( 6.618 5.030 -0.000) 8.313 1.020 ( -2.808 2.993 -0.000) 4.104 1.136 ( -2.480 -1.695 0.000) 3.004 1.365 ( -6.446 0.127 -0.000) 6.448 1.470 ( -11.766 -0.974 -0.000) 11.806 1.518 ( -17.807 -0.903 -0.000) 17.830 1.538 ( 1.585 -1.076 0.000) 1.916 1.644 ( -5.531 0.516 -0.000) 5.555 1.644 ( 0.141 -0.999 0.000) 1.009 1.699 ( -1.914 0.959 -0.000) 2.141 1.748 ( -2.771 -1.221 0.000) 3.028 1.829 ( 1.450 0.390 -0.000) 1.501 1.880 ( 5.487 -1.010 0.000) 5.579 1.947 ( -1.676 0.928 -0.000) 1.916 2.040 ( 8.568 -0.006 0.000) 8.568 2.059 ( -5.632 1.619 -0.000) 5.860 2.105 ( 7.666 -0.102 0.000) 7.667 2.240 ( -0.355 0.647 -0.000) 0.738 2.253 ( 0.534 -1.218 0.000) 1.330 2.261 ( 2.717 0.440 0.000) 2.752 2.326 ( -0.478 0.226 -0.000) 0.528 2.372 ( 5.027 -0.522 0.000) 5.054 2.857 ( 3.824 -0.200 0.000) 3.829 2.902 ( 2.938 0.558 0.000) 2.990 3.004 ( -6.776 -0.512 -0.000) 6.795 3.014 ( -6.130 -0.837 -0.000) 6.187 3.016 ( -4.320 -0.655 -0.000) 4.369 3.131 ( -4.636 0.494 -0.000) 4.662 3.901 ( 10.404 0.050 0.000) 10.405 3.913 ( 10.406 0.135 0.000) 10.406 4.810 ( -3.670 -0.018 -0.000) 3.670 4.816 ( -4.403 0.020 -0.000) 4.403 4.994 ( -1.208 0.004 -0.000) 1.208 5.003 ( -1.212 -0.056 -0.000) 1.214 5.042 ( -0.776 0.005 -0.000) 0.776 5.051 ( -0.685 -0.005 -0.000) 0.685 5.483 ( -1.558 -0.026 -0.000) 1.558 5.487 ( -1.374 -0.043 -0.000) 1.374 7.632 ( -1.468 -0.034 -0.000) 1.469 7.635 ( -0.915 0.034 -0.000) 0.915 8.369 ( -0.506 -1.032 0.000) 1.149 8.380 ( -0.686 -0.655 0.000) 0.948 8.482 ( 0.789 0.489 -0.000) 0.928 8.528 ( 1.656 0.089 0.000) 1.658 8.567 ( 0.458 2.425 -0.000) 2.467 8.642 ( -0.619 -1.792 0.000) 1.896 ======================= Grid point 379 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -0.000 5.332 -8.759) 10.254 0.749 ( 0.000 5.332 8.759) 10.254 0.799 ( -0.000 12.232 -2.357) 12.457 0.799 ( 0.000 12.232 2.357) 12.457 1.103 ( -0.000 6.973 -0.499) 6.991 1.103 ( 0.000 6.973 0.499) 6.991 1.156 ( -0.000 3.290 -1.299) 3.537 1.156 ( 0.000 3.290 1.299) 3.537 1.624 ( -0.000 -2.875 -1.064) 3.066 1.624 ( 0.000 -2.875 1.064) 3.066 1.658 ( 0.000 -1.673 -0.098) 1.676 1.658 ( 0.000 -1.673 0.098) 1.676 1.812 ( 0.000 -5.411 -0.004) 5.411 1.812 ( 0.000 -5.411 0.004) 5.411 1.895 ( -0.000 0.837 -2.239) 2.391 1.895 ( 0.000 0.837 2.239) 2.391 2.115 ( 0.000 -1.917 -0.006) 1.917 2.115 ( 0.000 -1.917 0.006) 1.917 2.336 ( -0.000 1.134 -1.783) 2.112 2.336 ( 0.000 1.134 1.783) 2.112 2.356 ( -0.000 -1.796 -2.336) 2.946 2.356 ( 0.000 -1.796 2.336) 2.946 2.421 ( 0.000 -1.003 -0.270) 1.039 2.421 ( 0.000 -1.003 0.270) 1.039 2.829 ( -0.000 -0.688 -0.360) 0.776 2.829 ( 0.000 -0.688 0.360) 0.776 2.932 ( -0.000 0.614 -0.355) 0.709 2.932 ( 0.000 0.614 0.355) 0.709 2.967 ( -0.000 0.490 -0.592) 0.769 2.967 ( 0.000 0.490 0.592) 0.769 4.117 ( -0.000 0.217 -0.551) 0.592 4.117 ( 0.000 0.217 0.551) 0.592 4.715 ( 0.000 0.035 -0.010) 0.036 4.715 ( 0.000 0.035 0.010) 0.036 4.974 ( -0.000 -0.178 -0.166) 0.243 4.974 ( 0.000 -0.178 0.166) 0.243 5.032 ( -0.000 0.056 -0.167) 0.176 5.032 ( 0.000 0.056 0.167) 0.176 5.446 ( -0.000 0.307 -0.029) 0.308 5.446 ( 0.000 0.307 0.029) 0.308 7.612 ( -0.000 -0.007 -0.503) 0.503 7.612 ( 0.000 -0.007 0.503) 0.503 8.366 ( -0.000 -0.148 -0.776) 0.790 8.366 ( 0.000 -0.148 0.776) 0.790 8.522 ( -0.000 1.216 -0.730) 1.418 8.522 ( 0.000 1.216 0.730) 1.418 8.589 ( 0.000 -0.094 -0.328) 0.342 8.589 ( 0.000 -0.094 0.328) 0.342 ======================= Grid point 398 (145/171) ======================= q-point: ( 0.40 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -7.502 -0.000 2.202) 7.819 0.912 ( -6.128 -0.000 -0.963) 6.204 1.031 ( -3.639 -0.000 0.763) 3.718 1.057 ( -1.943 -0.000 -1.859) 2.689 1.354 ( -1.661 -0.000 4.681) 4.967 1.404 ( 2.295 -0.000 -1.427) 2.702 1.494 ( 3.393 -0.000 0.664) 3.457 1.543 ( 3.177 -0.000 -4.370) 5.403 1.618 ( -1.930 -0.000 2.256) 2.969 1.627 ( 3.202 -0.000 -0.193) 3.208 1.652 ( 2.944 -0.000 0.107) 2.946 1.701 ( 0.712 -0.000 -3.528) 3.600 1.761 ( 1.565 -0.000 2.361) 2.832 1.787 ( -0.070 -0.000 -0.934) 0.937 1.881 ( 2.481 -0.000 3.787) 4.527 1.928 ( 0.793 -0.000 -1.047) 1.313 2.047 ( -0.205 -0.000 2.314) 2.323 2.080 ( 3.566 -0.000 -1.432) 3.843 2.140 ( -2.043 -0.000 3.097) 3.710 2.199 ( -1.897 -0.000 -3.539) 4.015 2.288 ( -1.773 0.000 1.009) 2.040 2.306 ( -2.095 -0.000 -1.053) 2.345 2.585 ( -13.994 -0.000 0.105) 13.995 2.588 ( -14.330 -0.000 -0.220) 14.331 2.753 ( 2.097 -0.000 0.946) 2.300 2.767 ( 2.590 -0.000 -0.757) 2.698 3.161 ( -2.533 -0.000 0.438) 2.570 3.162 ( -2.526 -0.000 0.131) 2.530 3.188 ( -2.215 -0.000 1.222) 2.530 3.213 ( -1.759 -0.000 -1.571) 2.358 3.466 ( 13.330 -0.000 0.334) 13.334 3.470 ( 13.329 -0.000 -0.168) 13.330 4.931 ( -2.208 -0.000 0.555) 2.277 4.939 ( -2.210 -0.000 -0.379) 2.242 5.038 ( -0.735 -0.000 0.092) 0.741 5.039 ( -0.640 -0.000 0.037) 0.641 5.069 ( -0.346 -0.000 0.140) 0.373 5.072 ( -0.584 -0.000 -0.168) 0.608 5.522 ( -0.545 -0.000 0.038) 0.546 5.523 ( -0.607 -0.000 -0.036) 0.608 7.676 ( -0.909 -0.000 0.467) 1.022 7.683 ( -1.073 -0.000 -0.321) 1.120 8.395 ( -0.851 -0.000 0.549) 1.013 8.401 ( -0.715 -0.000 -0.157) 0.732 8.459 ( 0.417 -0.000 0.075) 0.423 8.466 ( 0.557 0.000 -0.631) 0.842 8.592 ( 0.646 -0.000 1.224) 1.384 8.608 ( 0.578 0.000 -0.701) 0.908 ======================= Grid point 410 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -0.329 0.565 1.978) 2.083 0.854 ( 0.593 -0.936 -2.260) 2.517 0.957 ( -4.826 3.796 0.681) 6.178 1.016 ( -2.770 -3.232 -0.992) 4.371 1.325 ( -3.485 1.187 5.038) 6.239 1.382 ( -3.486 -1.107 -4.658) 5.922 1.561 ( 2.457 0.244 1.287) 2.784 1.577 ( -0.538 -0.375 0.059) 0.658 1.613 ( 2.717 0.641 1.391) 3.119 1.629 ( 0.508 0.193 -1.566) 1.658 1.666 ( 0.950 1.256 -1.560) 2.217 1.707 ( -5.002 -3.776 -0.718) 6.309 1.778 ( -0.218 0.433 0.323) 0.582 1.786 ( -0.252 -0.078 -0.545) 0.606 1.953 ( 2.951 1.395 1.286) 3.508 1.973 ( 2.609 -1.202 0.711) 2.959 2.040 ( -4.899 1.598 4.646) 6.939 2.069 ( -6.149 0.570 -0.846) 6.233 2.125 ( 1.067 0.748 -2.284) 2.630 2.136 ( 1.227 -0.766 -1.919) 2.403 2.243 ( -1.318 1.400 -0.060) 1.924 2.268 ( -2.788 -1.338 -0.140) 3.095 2.370 ( -6.943 1.059 0.286) 7.029 2.380 ( -6.890 -0.207 -0.022) 6.894 2.812 ( 3.771 0.216 0.826) 3.867 2.824 ( 3.892 -0.488 -0.721) 3.989 3.099 ( -4.597 0.023 0.038) 4.597 3.103 ( -4.369 -0.412 0.084) 4.390 3.141 ( -3.747 -0.047 1.867) 4.186 3.158 ( -3.655 -0.058 -1.918) 4.128 3.704 ( 12.962 0.091 0.278) 12.966 3.706 ( 12.937 0.087 -0.180) 12.938 4.881 ( -3.623 0.014 0.379) 3.643 4.884 ( -3.691 -0.004 -0.340) 3.706 5.020 ( -1.251 0.087 0.091) 1.257 5.022 ( -1.175 -0.064 -0.047) 1.178 5.058 ( -0.716 0.244 -0.005) 0.756 5.062 ( -0.731 -0.241 -0.001) 0.770 5.506 ( -1.123 0.216 -0.009) 1.143 5.510 ( -1.075 -0.306 0.012) 1.118 7.655 ( -1.577 0.096 0.115) 1.584 7.657 ( -1.527 -0.050 -0.115) 1.533 8.385 ( -0.730 -0.568 0.497) 1.050 8.389 ( -0.799 -0.557 -0.333) 1.029 8.470 ( 0.927 0.516 0.233) 1.086 8.478 ( 1.026 -0.247 -0.531) 1.181 8.593 ( 0.517 2.607 0.304) 2.675 8.630 ( 0.632 -2.226 -0.044) 2.314 ======================= Grid point 411 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -7.093 -0.069 0.000) 7.093 0.900 ( -7.093 0.069 0.000) 7.093 1.042 ( -2.588 -1.420 0.000) 2.952 1.042 ( -2.588 1.420 -0.000) 2.952 1.387 ( 0.242 -0.987 0.000) 1.016 1.387 ( 0.242 0.987 0.000) 1.016 1.510 ( 2.801 -0.797 0.000) 2.912 1.510 ( 2.801 0.797 0.000) 2.912 1.625 ( 2.079 -0.074 0.000) 2.080 1.625 ( 2.079 0.074 0.000) 2.080 1.671 ( 0.796 -1.209 0.000) 1.447 1.671 ( 0.796 1.209 0.000) 1.447 1.777 ( 0.527 -0.370 0.000) 0.644 1.777 ( 0.527 0.370 0.000) 0.644 1.911 ( 2.096 -0.093 0.000) 2.098 1.911 ( 2.096 0.093 0.000) 2.098 2.065 ( 1.618 -0.383 0.000) 1.663 2.065 ( 1.618 0.383 0.000) 1.663 2.169 ( -2.168 -0.727 0.000) 2.287 2.169 ( -2.168 0.727 0.000) 2.287 2.297 ( -1.940 -2.522 0.000) 3.182 2.297 ( -1.940 2.522 -0.000) 3.182 2.587 ( -14.145 -0.226 -0.000) 14.147 2.587 ( -14.145 0.226 -0.000) 14.147 2.760 ( 2.356 -0.057 0.000) 2.357 2.760 ( 2.356 0.057 0.000) 2.357 3.163 ( -2.561 -0.016 -0.000) 2.561 3.163 ( -2.561 0.016 -0.000) 2.561 3.199 ( -1.967 -0.169 0.000) 1.974 3.199 ( -1.967 0.169 0.000) 1.974 3.468 ( 13.337 -0.026 0.000) 13.337 3.468 ( 13.337 0.026 0.000) 13.337 4.935 ( -2.217 -0.011 -0.000) 2.217 4.935 ( -2.217 0.011 -0.000) 2.217 5.039 ( -0.688 -0.014 -0.000) 0.688 5.039 ( -0.688 0.014 -0.000) 0.688 5.071 ( -0.466 -0.188 0.000) 0.502 5.071 ( -0.466 0.188 0.000) 0.502 5.522 ( -0.576 -0.169 0.000) 0.600 5.522 ( -0.576 0.169 -0.000) 0.600 7.680 ( -1.005 -0.013 0.000) 1.005 7.680 ( -1.005 0.013 0.000) 1.005 8.399 ( -0.790 -0.144 -0.000) 0.803 8.399 ( -0.790 0.144 -0.000) 0.803 8.461 ( 0.482 -0.208 0.000) 0.525 8.461 ( 0.482 0.208 0.000) 0.525 8.601 ( 0.615 -1.970 0.000) 2.064 8.601 ( 0.615 1.970 0.000) 2.064 ======================= Grid point 421 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -6.729 8.268 -0.000) 10.660 0.828 ( 2.284 6.394 -0.000) 6.790 0.923 ( 5.383 1.043 0.000) 5.483 1.007 ( -1.899 -5.214 0.000) 5.549 1.258 ( -4.293 1.185 -0.000) 4.454 1.289 ( -5.911 -0.129 -0.000) 5.912 1.477 ( -11.827 -1.494 -0.000) 11.921 1.481 ( -15.594 -1.174 -0.000) 15.638 1.591 ( -1.193 0.513 -0.000) 1.299 1.612 ( 0.178 0.757 -0.000) 0.778 1.727 ( 2.590 -2.496 0.000) 3.597 1.728 ( 2.286 -3.076 0.000) 3.832 1.781 ( 0.492 0.129 0.000) 0.508 1.790 ( 4.298 -1.000 0.000) 4.413 1.803 ( -8.389 5.252 -0.000) 9.897 1.896 ( -5.790 0.329 -0.000) 5.799 2.028 ( 0.020 0.514 -0.000) 0.515 2.068 ( 0.746 -1.946 0.000) 2.084 2.177 ( 2.585 0.715 -0.000) 2.682 2.196 ( 4.531 0.407 0.000) 4.549 2.250 ( 3.436 -0.614 0.000) 3.490 2.255 ( 1.853 -0.433 0.000) 1.903 2.336 ( 2.702 0.809 -0.000) 2.820 2.346 ( 1.388 -0.060 0.000) 1.390 2.873 ( 3.107 0.675 0.000) 3.179 2.894 ( 3.109 -0.766 0.000) 3.202 3.002 ( -6.259 0.082 -0.000) 6.260 3.019 ( -5.445 -0.778 -0.000) 5.500 3.067 ( -5.739 0.130 -0.000) 5.740 3.081 ( -4.093 -0.638 -0.000) 4.142 3.907 ( 10.116 0.301 0.000) 10.120 3.911 ( 10.338 0.021 0.000) 10.338 4.811 ( -4.138 0.142 -0.000) 4.141 4.814 ( -4.149 -0.112 -0.000) 4.150 4.996 ( -1.319 0.149 -0.000) 1.327 5.001 ( -1.228 -0.175 -0.000) 1.241 5.044 ( -0.680 0.207 -0.000) 0.711 5.050 ( -0.740 -0.190 -0.000) 0.764 5.481 ( -1.424 0.233 -0.000) 1.442 5.489 ( -1.518 -0.363 -0.000) 1.560 7.626 ( -1.457 0.220 -0.000) 1.474 7.635 ( -1.170 -0.337 0.000) 1.218 8.376 ( -1.048 -0.701 0.000) 1.261 8.383 ( -0.501 -1.150 0.000) 1.255 8.488 ( 1.634 0.467 -0.000) 1.699 8.498 ( 1.143 0.001 0.000) 1.143 8.579 ( -0.022 2.654 -0.000) 2.654 8.650 ( -0.348 -2.198 0.000) 2.226 ======================= Grid point 432 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.000 11.519 -0.000) 11.519 0.894 ( -0.000 9.025 -0.000) 9.025 0.923 ( 0.000 -7.898 0.000) 7.898 1.018 ( -0.000 3.894 -0.000) 3.894 1.101 ( -0.000 9.646 -0.000) 9.646 1.123 ( -0.000 6.900 -0.000) 6.900 1.184 ( -0.000 1.575 -0.000) 1.575 1.191 ( -0.000 2.626 -0.000) 2.626 1.606 ( 0.000 -4.919 0.000) 4.919 1.624 ( 0.000 -6.223 0.000) 6.223 1.721 ( 0.000 -2.081 0.000) 2.081 1.722 ( 0.000 -1.074 0.000) 1.074 1.731 ( 0.000 -1.870 0.000) 1.870 1.732 ( 0.000 -1.620 0.000) 1.620 1.818 ( -0.000 3.855 -0.000) 3.855 1.940 ( 0.000 -4.550 0.000) 4.550 2.006 ( -0.000 0.567 -0.000) 0.567 2.021 ( 0.000 -0.749 0.000) 0.749 2.239 ( -0.000 0.661 -0.000) 0.661 2.308 ( 0.000 -3.908 0.000) 3.908 2.361 ( -0.000 0.958 -0.000) 0.958 2.371 ( -0.000 0.312 -0.000) 0.312 2.425 ( -0.000 0.958 -0.000) 0.958 2.487 ( 0.000 -3.091 0.000) 3.091 2.828 ( 0.000 -0.053 0.000) 0.053 2.836 ( 0.000 -0.626 0.000) 0.626 2.895 ( -0.000 1.762 -0.000) 1.762 2.926 ( -0.000 0.144 -0.000) 0.144 2.987 ( 0.000 -0.302 0.000) 0.302 2.989 ( 0.000 -0.949 0.000) 0.949 4.108 ( -0.000 0.501 -0.000) 0.501 4.117 ( 0.000 -0.213 0.000) 0.213 4.715 ( -0.000 0.022 -0.000) 0.022 4.715 ( 0.000 -0.025 0.000) 0.025 4.969 ( -0.000 0.129 -0.000) 0.129 4.974 ( 0.000 -0.240 0.000) 0.240 5.030 ( -0.000 0.169 -0.000) 0.169 5.035 ( 0.000 -0.191 0.000) 0.191 5.449 ( -0.000 0.240 -0.000) 0.240 5.450 ( -0.000 0.134 -0.000) 0.134 7.600 ( -0.000 0.305 -0.000) 0.305 7.614 ( 0.000 -0.641 0.000) 0.641 8.352 ( -0.000 0.248 -0.000) 0.248 8.373 ( 0.000 -1.300 0.000) 1.300 8.523 ( -0.000 1.363 -0.000) 1.363 8.555 ( 0.000 -0.963 0.000) 0.963 8.572 ( -0.000 1.452 -0.000) 1.452 8.602 ( 0.000 -0.639 0.000) 0.639 ======================= Grid point 433 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -5.314 9.560 0.489) 10.949 0.884 ( -2.424 -7.008 0.375) 7.424 0.976 ( 1.397 8.553 -0.061) 8.666 1.068 ( 7.157 0.025 1.291) 7.273 1.138 ( -9.176 2.047 -0.782) 9.434 1.188 ( -6.052 -0.339 0.198) 6.065 1.256 ( -7.371 0.425 -0.896) 7.437 1.267 ( -6.089 0.702 1.647) 6.347 1.581 ( -0.228 -0.973 -1.544) 1.839 1.600 ( -1.537 -1.947 1.067) 2.700 1.710 ( 0.194 -0.937 -2.819) 2.977 1.722 ( -0.907 -0.321 -0.583) 1.125 1.737 ( -3.048 1.545 0.063) 3.418 1.775 ( -4.496 -2.545 -0.048) 5.167 1.833 ( 1.649 2.778 2.221) 3.920 1.879 ( 3.664 -3.315 1.379) 5.130 2.014 ( -0.812 0.121 -1.573) 1.774 2.036 ( -1.617 -0.854 2.453) 3.059 2.229 ( 1.989 1.458 0.027) 2.466 2.253 ( 2.779 -1.608 0.053) 3.211 2.321 ( 4.592 -0.142 -1.416) 4.807 2.332 ( 4.246 -0.109 1.223) 4.420 2.394 ( 3.453 0.470 -0.301) 3.497 2.409 ( 4.783 -0.995 0.019) 4.885 2.886 ( -5.020 0.108 0.006) 5.021 2.890 ( -4.568 -0.508 0.037) 4.596 2.925 ( 0.013 0.801 -0.545) 0.969 2.939 ( -1.696 -0.540 0.369) 1.818 2.987 ( -1.999 0.716 -0.879) 2.298 3.008 ( -3.170 -0.982 1.020) 3.472 4.055 ( 6.167 0.265 -0.064) 6.173 4.058 ( 6.209 -0.131 0.111) 6.211 4.745 ( -3.155 0.063 -0.002) 3.155 4.746 ( -3.184 -0.052 0.041) 3.185 4.978 ( -0.841 0.156 -0.019) 0.856 4.981 ( -0.857 -0.210 0.029) 0.883 5.035 ( -0.415 0.173 -0.039) 0.452 5.038 ( -0.438 -0.173 0.029) 0.472 5.460 ( -1.066 0.186 -0.025) 1.082 5.462 ( -1.184 -0.100 0.030) 1.188 7.609 ( -0.705 0.359 0.049) 0.793 7.615 ( -0.632 -0.499 0.067) 0.808 8.360 ( -0.567 0.184 -0.009) 0.596 8.368 ( -0.366 -0.907 -0.002) 0.978 8.517 ( 1.460 0.281 -0.812) 1.694 8.526 ( 1.651 0.112 1.007) 1.937 8.590 ( -0.673 2.015 -0.071) 2.125 8.617 ( -1.458 -1.825 -0.098) 2.337 ======================= Grid point 434 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -3.322 0.000 -1.879) 3.817 0.890 ( 7.234 -0.000 -2.467) 7.643 0.934 ( -5.026 0.000 3.554) 6.156 0.955 ( 5.970 -0.000 3.879) 7.120 1.232 ( -4.528 0.000 -5.540) 7.155 1.324 ( -5.377 0.000 5.279) 7.535 1.460 ( -12.085 0.000 -0.724) 12.107 1.465 ( -13.449 0.000 -0.061) 13.449 1.603 ( -3.471 0.000 -0.773) 3.556 1.617 ( -0.865 0.000 0.985) 1.311 1.677 ( 1.615 -0.000 -2.938) 3.352 1.736 ( 6.582 -0.000 1.660) 6.788 1.743 ( -1.961 0.000 -1.981) 2.788 1.807 ( 0.737 -0.000 -0.059) 0.739 1.881 ( -6.904 0.000 3.624) 7.797 1.881 ( -5.607 0.000 0.671) 5.647 2.025 ( -0.923 0.000 -2.151) 2.341 2.053 ( 1.708 -0.000 1.213) 2.095 2.170 ( 4.326 -0.000 -2.297) 4.898 2.209 ( 2.658 -0.000 2.144) 3.415 2.244 ( 1.689 -0.000 -0.392) 1.734 2.256 ( 3.392 -0.000 0.877) 3.504 2.343 ( 1.162 -0.000 -0.200) 1.179 2.345 ( 2.343 -0.000 0.199) 2.352 2.875 ( 3.395 -0.000 -0.908) 3.515 2.890 ( 3.036 -0.000 0.831) 3.148 3.006 ( -5.976 0.000 -0.196) 5.979 3.009 ( -5.889 0.000 0.055) 5.889 3.053 ( -4.891 0.000 -2.263) 5.389 3.091 ( -4.839 0.000 2.255) 5.339 3.908 ( 10.228 -0.000 -0.285) 10.232 3.912 ( 10.231 -0.000 0.161) 10.232 4.811 ( -4.011 0.000 -0.112) 4.013 4.814 ( -4.247 0.000 0.146) 4.250 4.997 ( -1.282 0.000 -0.157) 1.292 5.000 ( -1.292 0.000 0.135) 1.299 5.045 ( -0.720 0.000 -0.160) 0.738 5.048 ( -0.700 0.000 0.148) 0.715 5.484 ( -1.461 0.000 -0.082) 1.463 5.486 ( -1.409 0.000 0.079) 1.412 7.629 ( -1.432 0.000 0.007) 1.432 7.631 ( -1.248 0.000 0.141) 1.256 8.369 ( -0.595 0.000 -0.404) 0.719 8.375 ( -0.735 0.000 0.230) 0.770 8.489 ( 1.279 -0.000 -0.577) 1.403 8.503 ( 1.534 -0.000 1.077) 1.874 8.611 ( 0.011 -0.000 -0.756) 0.756 8.620 ( -0.454 0.000 0.349) 0.573 ======================= Grid point 444 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 0.000 10.979 2.920) 11.361 0.896 ( -0.000 7.813 0.335) 7.820 0.921 ( 0.000 -6.108 -0.452) 6.125 1.013 ( -0.000 4.685 -1.211) 4.839 1.109 ( 0.000 8.162 1.731) 8.343 1.117 ( -0.000 6.507 -1.071) 6.595 1.188 ( 0.000 2.259 0.903) 2.433 1.203 ( 0.000 2.811 2.479) 3.748 1.603 ( 0.000 -5.076 -0.659) 5.119 1.615 ( -0.000 -5.635 -2.146) 6.030 1.704 ( -0.000 -0.946 -3.303) 3.436 1.709 ( -0.000 -0.930 -2.163) 2.354 1.728 ( 0.000 -2.330 0.618) 2.411 1.753 ( 0.000 -2.490 1.935) 3.153 1.829 ( 0.000 3.461 2.520) 4.281 1.936 ( -0.000 -3.408 -0.808) 3.502 2.018 ( 0.000 -0.168 2.542) 2.548 2.029 ( 0.000 -0.820 1.835) 2.010 2.242 ( 0.000 0.565 0.751) 0.939 2.308 ( 0.000 -3.835 0.202) 3.841 2.361 ( -0.000 0.959 -0.088) 0.963 2.371 ( -0.000 0.279 0.005) 0.279 2.424 ( -0.000 0.816 -0.291) 0.866 2.481 ( -0.000 -2.922 -1.362) 3.224 2.826 ( -0.000 -0.043 -0.333) 0.336 2.835 ( -0.000 -0.629 -0.305) 0.699 2.899 ( 0.000 1.672 1.014) 1.955 2.927 ( 0.000 0.210 0.399) 0.451 2.985 ( -0.000 -0.242 -0.350) 0.425 2.988 ( -0.000 -0.908 -0.203) 0.931 4.109 ( 0.000 0.480 0.160) 0.506 4.117 ( 0.000 -0.224 0.129) 0.258 4.715 ( 0.000 0.023 0.023) 0.033 4.715 ( 0.000 -0.021 0.015) 0.026 4.969 ( 0.000 0.116 0.053) 0.128 4.974 ( 0.000 -0.233 -0.013) 0.233 5.030 ( -0.000 0.162 0.019) 0.163 5.035 ( -0.000 -0.178 -0.048) 0.185 5.449 ( -0.000 0.237 0.021) 0.238 5.450 ( -0.000 0.136 -0.000) 0.136 7.601 ( 0.000 0.298 0.184) 0.350 7.614 ( 0.000 -0.602 0.012) 0.602 8.352 ( 0.000 0.228 0.131) 0.263 8.372 ( 0.000 -1.235 -0.134) 1.242 8.524 ( -0.000 1.337 0.155) 1.346 8.553 ( -0.000 -0.693 -0.331) 0.768 8.573 ( 0.000 1.201 0.324) 1.244 8.601 ( -0.000 -0.596 -0.169) 0.619 ======================= Grid point 445 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -4.419 8.324 1.350) 9.520 0.888 ( -3.228 -6.571 0.308) 7.328 0.978 ( 2.577 9.400 0.922) 9.790 1.086 ( 4.939 -0.473 2.740) 5.668 1.129 ( -5.418 2.446 -1.227) 6.070 1.191 ( -8.925 0.506 0.427) 8.950 1.251 ( -7.660 -0.184 -0.257) 7.666 1.280 ( -4.981 0.259 1.453) 5.195 1.565 ( -0.270 -0.576 -1.943) 2.044 1.608 ( -2.189 -1.932 0.743) 3.013 1.684 ( 0.372 -1.060 -3.262) 3.450 1.709 ( -1.071 -0.291 -1.972) 2.263 1.728 ( -2.465 0.965 -2.197) 3.440 1.782 ( -3.011 -1.852 1.393) 3.800 1.858 ( 0.698 1.856 3.278) 3.831 1.900 ( 1.792 -2.417 3.485) 4.604 2.004 ( 0.454 0.092 -0.934) 1.043 2.059 ( -1.514 -0.754 3.184) 3.606 2.229 ( 2.651 1.250 0.145) 2.934 2.254 ( 2.853 -1.520 0.217) 3.240 2.311 ( 4.772 -0.095 -1.090) 4.896 2.340 ( 4.043 0.136 0.477) 4.073 2.388 ( 3.529 -0.607 -1.296) 3.808 2.411 ( 3.969 -0.180 0.512) 4.006 2.886 ( -5.432 0.114 -0.051) 5.434 2.891 ( -4.886 -0.543 0.056) 4.917 2.919 ( 0.068 0.421 -0.672) 0.795 2.942 ( -0.666 -0.177 0.365) 0.780 2.978 ( -1.441 0.252 -1.173) 1.876 3.019 ( -3.907 -0.403 1.500) 4.204 4.054 ( 6.283 0.165 -0.086) 6.286 4.059 ( 6.205 -0.052 0.207) 6.209 4.745 ( -3.205 0.038 0.014) 3.206 4.746 ( -3.142 -0.027 0.087) 3.144 4.977 ( -0.800 0.099 -0.037) 0.807 4.981 ( -0.885 -0.156 0.063) 0.901 5.035 ( -0.376 0.110 -0.082) 0.401 5.038 ( -0.479 -0.108 0.056) 0.494 5.460 ( -1.063 0.137 -0.048) 1.073 5.463 ( -1.179 -0.047 0.061) 1.181 7.610 ( -0.673 0.271 0.129) 0.737 7.616 ( -0.646 -0.387 0.174) 0.773 8.359 ( -0.465 0.082 -0.020) 0.473 8.368 ( -0.403 -0.770 -0.017) 0.870 8.511 ( 1.612 0.214 -0.627) 1.743 8.535 ( 1.436 0.201 1.178) 1.869 8.588 ( -0.653 1.990 -0.207) 2.105 8.616 ( -1.431 -1.786 -0.269) 2.304 ======================= Grid point 446 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -3.948 0.000 -0.907) 4.051 0.870 ( 6.515 -0.000 -2.181) 6.871 0.968 ( -3.874 0.000 4.490) 5.930 0.987 ( 7.437 -0.000 3.799) 8.351 1.189 ( -4.063 0.000 -4.817) 6.301 1.361 ( -5.671 0.000 3.468) 6.647 1.454 ( -11.085 0.000 -0.302) 11.089 1.464 ( -13.401 0.000 -0.106) 13.402 1.594 ( -5.068 0.000 -1.557) 5.302 1.625 ( -0.126 0.000 0.863) 0.872 1.657 ( -0.032 0.000 -1.863) 1.863 1.712 ( 0.667 -0.000 -2.034) 2.141 1.775 ( 3.630 -0.000 4.463) 5.753 1.789 ( -3.311 0.000 -3.403) 4.748 1.882 ( -3.469 0.000 -0.467) 3.500 1.925 ( -2.569 0.000 6.305) 6.809 2.006 ( -1.217 0.000 -2.474) 2.757 2.061 ( 3.803 -0.000 0.721) 3.870 2.152 ( 3.637 -0.000 -2.090) 4.194 2.224 ( 0.975 -0.000 1.584) 1.860 2.242 ( 1.083 -0.000 -0.096) 1.087 2.262 ( 3.744 -0.000 0.617) 3.794 2.340 ( 0.672 -0.000 -0.550) 0.869 2.348 ( 3.270 -0.000 0.775) 3.361 2.868 ( 3.629 -0.000 -0.846) 3.726 2.896 ( 2.960 -0.000 0.722) 3.047 3.005 ( -6.127 0.000 -0.214) 6.131 3.009 ( -5.938 0.000 -0.030) 5.938 3.036 ( -4.814 0.000 -1.935) 5.188 3.109 ( -4.770 0.000 1.935) 5.148 3.906 ( 10.271 -0.000 -0.303) 10.276 3.913 ( 10.275 -0.000 0.100) 10.276 4.811 ( -3.875 0.000 -0.082) 3.876 4.815 ( -4.325 0.000 0.137) 4.327 4.996 ( -1.262 0.000 -0.140) 1.270 5.001 ( -1.280 0.000 0.105) 1.284 5.044 ( -0.735 0.000 -0.141) 0.748 5.049 ( -0.693 0.000 0.121) 0.704 5.484 ( -1.481 0.000 -0.070) 1.483 5.486 ( -1.384 0.000 0.066) 1.386 7.630 ( -1.476 0.000 0.066) 1.477 7.632 ( -1.127 0.000 0.174) 1.140 8.366 ( -0.489 0.000 -0.374) 0.615 8.376 ( -0.734 0.000 0.070) 0.738 8.486 ( 1.100 -0.000 -0.223) 1.123 8.512 ( 1.642 -0.000 1.084) 1.967 8.604 ( 0.273 -0.000 -0.813) 0.857 8.622 ( -0.650 0.000 0.123) 0.662 ======================= Grid point 456 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -0.000 9.524 4.998) 10.756 0.896 ( -0.000 0.774 -0.876) 1.169 0.918 ( -0.000 2.757 0.049) 2.758 1.000 ( -0.000 5.949 -1.745) 6.200 1.112 ( -0.000 5.598 0.206) 5.602 1.128 ( -0.000 5.260 2.723) 5.923 1.197 ( -0.000 3.872 1.100) 4.025 1.225 ( 0.000 2.936 2.404) 3.795 1.594 ( -0.000 -4.764 -2.614) 5.434 1.594 ( 0.000 -5.310 -1.466) 5.509 1.680 ( 0.000 -0.200 -2.322) 2.331 1.689 ( 0.000 -0.241 -2.422) 2.434 1.732 ( 0.000 -3.192 0.389) 3.215 1.762 ( 0.000 -3.117 0.175) 3.122 1.854 ( -0.000 2.955 3.316) 4.442 1.931 ( 0.000 -1.647 -0.278) 1.670 2.042 ( -0.000 -0.955 3.101) 3.245 2.048 ( -0.000 -1.007 2.673) 2.856 2.252 ( 0.000 0.276 1.706) 1.728 2.311 ( 0.000 -3.615 0.510) 3.651 2.360 ( 0.000 0.934 -0.192) 0.953 2.371 ( 0.000 0.198 -0.108) 0.226 2.420 ( -0.000 0.446 -0.559) 0.715 2.465 ( -0.000 -2.445 -2.476) 3.480 2.823 ( -0.000 -0.064 -0.363) 0.369 2.831 ( -0.000 -0.622 -0.471) 0.780 2.910 ( -0.000 1.458 1.582) 2.152 2.932 ( -0.000 0.367 0.639) 0.736 2.981 ( -0.000 -0.088 -0.594) 0.600 2.985 ( -0.000 -0.779 -0.418) 0.884 4.111 ( -0.000 0.416 0.286) 0.505 4.118 ( -0.000 -0.237 0.169) 0.291 4.715 ( 0.000 0.026 0.038) 0.046 4.715 ( 0.000 -0.012 0.024) 0.027 4.970 ( 0.000 0.081 0.094) 0.124 4.974 ( 0.000 -0.211 -0.030) 0.213 5.030 ( 0.000 0.142 0.039) 0.148 5.035 ( 0.000 -0.143 -0.085) 0.167 5.449 ( -0.000 0.228 0.036) 0.231 5.450 ( 0.000 0.144 -0.003) 0.144 7.603 ( -0.000 0.270 0.321) 0.420 7.614 ( -0.000 -0.492 -0.003) 0.492 8.354 ( -0.000 0.168 0.240) 0.292 8.371 ( 0.000 -1.055 -0.251) 1.084 8.526 ( -0.000 1.261 0.299) 1.296 8.550 ( -0.000 -0.240 -0.488) 0.544 8.576 ( 0.000 0.803 0.473) 0.932 8.599 ( 0.000 -0.478 -0.305) 0.567 ======================= Grid point 457 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -3.167 6.284 1.876) 7.283 0.887 ( -3.194 -4.367 -0.707) 5.456 0.993 ( 1.934 9.482 2.445) 9.981 1.105 ( 1.096 -4.491 1.375) 4.823 1.125 ( -0.422 6.996 0.905) 7.067 1.196 ( -10.607 0.748 0.825) 10.665 1.250 ( -7.006 -0.819 -0.048) 7.054 1.286 ( -4.506 -0.501 -0.105) 4.535 1.552 ( -0.241 -0.085 -1.219) 1.245 1.610 ( -3.526 -2.181 -0.283) 4.156 1.659 ( 0.662 -0.494 -2.706) 2.829 1.695 ( -1.023 -0.412 -1.128) 1.578 1.709 ( -0.939 0.111 -2.174) 2.371 1.791 ( -3.646 -1.488 0.670) 3.994 1.884 ( 0.895 1.216 3.065) 3.416 1.931 ( -0.859 -1.032 3.750) 3.983 1.999 ( 2.376 -0.181 -0.377) 2.413 2.085 ( -1.172 -0.636 2.905) 3.197 2.232 ( 4.065 0.775 0.602) 4.181 2.257 ( 2.954 -1.234 0.487) 3.239 2.304 ( 4.705 -0.044 -0.545) 4.737 2.340 ( 3.948 0.420 -0.353) 3.986 2.373 ( 3.324 -1.087 -2.290) 4.180 2.417 ( 2.893 -0.026 0.934) 3.040 2.884 ( -6.028 -0.002 -0.316) 6.036 2.891 ( -5.447 -0.479 0.103) 5.469 2.915 ( 1.019 0.244 -0.196) 1.066 2.944 ( 0.174 -0.006 0.126) 0.214 2.969 ( -1.191 0.114 -1.035) 1.582 3.031 ( -4.503 -0.096 1.357) 4.704 4.053 ( 6.428 0.091 -0.060) 6.429 4.061 ( 6.243 -0.012 0.204) 6.246 4.745 ( -3.253 0.022 0.029) 3.253 4.747 ( -3.110 -0.010 0.095) 3.111 4.977 ( -0.751 0.044 -0.034) 0.753 4.982 ( -0.913 -0.105 0.066) 0.921 5.034 ( -0.336 0.060 -0.083) 0.352 5.039 ( -0.522 -0.053 0.051) 0.527 5.459 ( -1.053 0.098 -0.044) 1.058 5.463 ( -1.175 -0.003 0.059) 1.177 7.611 ( -0.625 0.148 0.164) 0.663 7.618 ( -0.664 -0.224 0.212) 0.732 8.359 ( -0.316 -0.064 -0.018) 0.323 8.367 ( -0.446 -0.571 -0.042) 0.725 8.507 ( 1.628 0.200 -0.384) 1.684 8.545 ( 1.346 0.253 1.179) 1.807 8.586 ( -0.671 1.946 -0.324) 2.084 8.613 ( -1.371 -1.721 -0.362) 2.230 ======================= Grid point 458 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 6.139 -0.000 -1.444) 6.306 0.861 ( -4.049 0.000 -0.213) 4.055 1.004 ( -2.816 0.000 4.137) 5.004 1.016 ( 8.524 -0.000 3.085) 9.065 1.154 ( -3.652 0.000 -3.654) 5.166 1.376 ( -6.006 0.000 0.071) 6.007 1.461 ( -10.612 0.000 2.075) 10.813 1.463 ( -13.055 0.000 -0.039) 13.055 1.576 ( -5.459 0.000 -2.900) 6.182 1.631 ( 0.422 -0.000 0.588) 0.724 1.646 ( -1.905 0.000 -0.728) 2.039 1.708 ( -0.756 0.000 0.928) 1.197 1.759 ( -4.601 0.000 -3.669) 5.885 1.810 ( 3.790 -0.000 3.828) 5.387 1.875 ( -1.144 0.000 -1.165) 1.633 1.976 ( -0.057 0.000 6.007) 6.008 1.985 ( -1.259 0.000 -2.607) 2.895 2.065 ( 4.980 -0.000 0.393) 4.996 2.135 ( 2.998 -0.000 -2.134) 3.680 2.235 ( -0.145 0.000 1.079) 1.088 2.243 ( 0.638 -0.000 0.112) 0.648 2.265 ( 3.377 -0.000 0.099) 3.378 2.335 ( 0.159 -0.000 -0.760) 0.776 2.357 ( 4.171 -0.000 1.141) 4.324 2.862 ( 3.844 -0.000 -0.673) 3.903 2.902 ( 2.954 -0.000 0.550) 3.005 3.003 ( -6.391 0.000 -0.216) 6.395 3.008 ( -6.029 0.000 -0.077) 6.030 3.022 ( -4.603 0.000 -1.382) 4.805 3.122 ( -4.704 0.000 1.423) 4.914 3.903 ( 10.325 -0.000 -0.259) 10.329 3.913 ( 10.328 -0.000 0.053) 10.328 4.810 ( -3.753 0.000 -0.052) 3.753 4.816 ( -4.373 0.000 0.107) 4.375 4.995 ( -1.239 0.000 -0.106) 1.244 5.002 ( -1.261 0.000 0.070) 1.263 5.043 ( -0.750 0.000 -0.104) 0.757 5.050 ( -0.688 0.000 0.086) 0.694 5.483 ( -1.497 0.000 -0.051) 1.498 5.487 ( -1.363 0.000 0.047) 1.364 7.630 ( -1.492 0.000 0.084) 1.495 7.633 ( -1.013 0.000 0.156) 1.025 8.363 ( -0.391 0.000 -0.282) 0.482 8.376 ( -0.697 0.000 -0.042) 0.698 8.485 ( 0.901 -0.000 0.032) 0.902 8.521 ( 1.749 -0.000 0.895) 1.965 8.598 ( 0.525 -0.000 -0.706) 0.880 8.622 ( -0.819 0.000 -0.028) 0.820 ======================= Grid point 469 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -0.000 7.478 5.951) 9.557 0.878 ( -0.000 -2.683 -3.235) 4.203 0.924 ( 0.000 8.869 1.358) 8.973 0.985 ( -0.000 6.960 -1.929) 7.222 1.121 ( -0.000 4.363 1.923) 4.768 1.151 ( -0.000 2.398 2.944) 3.797 1.204 ( -0.000 5.679 0.513) 5.702 1.239 ( -0.000 3.054 0.913) 3.188 1.576 ( 0.000 -4.293 -1.773) 4.645 1.581 ( 0.000 -5.147 -1.695) 5.419 1.666 ( 0.000 0.191 -1.219) 1.234 1.671 ( 0.000 0.238 -1.889) 1.904 1.734 ( 0.000 -3.649 0.206) 3.655 1.758 ( 0.000 -3.457 -1.006) 3.601 1.881 ( -0.000 2.597 3.134) 4.070 1.930 ( -0.000 -0.196 -0.015) 0.196 2.066 ( -0.000 -1.362 2.499) 2.846 2.069 ( -0.000 -1.248 2.308) 2.624 2.271 ( 0.000 -0.202 2.800) 2.807 2.317 ( -0.000 -3.245 0.859) 3.356 2.358 ( -0.000 0.814 -0.359) 0.890 2.368 ( 0.000 0.118 -0.521) 0.534 2.415 ( -0.000 -0.008 -0.687) 0.688 2.443 ( -0.000 -1.742 -2.960) 3.435 2.821 ( -0.000 -0.149 -0.191) 0.242 2.827 ( -0.000 -0.583 -0.480) 0.756 2.924 ( -0.000 1.184 1.670) 2.048 2.937 ( 0.000 0.532 0.671) 0.856 2.976 ( -0.000 0.088 -0.650) 0.656 2.981 ( -0.000 -0.550 -0.627) 0.834 4.113 ( -0.000 0.307 0.347) 0.464 4.120 ( -0.000 -0.213 0.093) 0.232 4.715 ( 0.000 0.028 0.041) 0.050 4.716 ( 0.000 -0.000 0.021) 0.021 4.971 ( 0.000 0.031 0.115) 0.119 4.974 ( 0.000 -0.177 -0.051) 0.184 5.031 ( 0.000 0.110 0.060) 0.126 5.034 ( 0.000 -0.093 -0.105) 0.141 5.449 ( -0.000 0.216 0.042) 0.220 5.450 ( 0.000 0.156 -0.009) 0.156 7.606 ( -0.000 0.216 0.381) 0.437 7.614 ( -0.000 -0.337 -0.061) 0.342 8.356 ( -0.000 0.062 0.316) 0.322 8.368 ( 0.000 -0.806 -0.335) 0.873 8.528 ( -0.000 1.133 0.418) 1.207 8.546 ( 0.000 0.149 -0.546) 0.566 8.580 ( 0.000 0.493 0.521) 0.717 8.596 ( 0.000 -0.315 -0.398) 0.507 ======================= Grid point 470 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -2.078 3.831 1.848) 4.734 0.878 ( -2.575 -1.105 -1.232) 3.061 1.013 ( -0.312 8.579 2.246) 8.873 1.112 ( 1.935 -4.096 0.831) 4.605 1.138 ( -0.948 8.247 1.566) 8.448 1.206 ( -10.047 0.237 1.697) 10.192 1.249 ( -6.075 -1.436 -0.318) 6.250 1.278 ( -4.525 -1.165 -1.774) 4.998 1.546 ( -0.143 -0.029 -0.210) 0.256 1.604 ( -4.793 -2.406 -1.228) 5.502 1.642 ( 1.100 0.355 -1.525) 1.914 1.690 ( -1.386 -0.335 -0.224) 1.444 1.695 ( 0.229 -0.684 -1.189) 1.391 1.793 ( -4.201 -1.284 -0.125) 4.395 1.908 ( 0.482 0.908 2.590) 2.787 1.956 ( -2.444 0.742 2.159) 3.344 1.997 ( 4.019 -1.278 0.167) 4.221 2.104 ( -0.706 -0.463 1.676) 1.877 2.240 ( 5.920 0.260 1.480) 6.108 2.262 ( 3.164 -0.853 0.634) 3.338 2.302 ( 4.527 -0.108 -0.015) 4.528 2.335 ( 3.682 0.558 -0.752) 3.800 2.352 ( 2.684 -1.092 -2.781) 4.016 2.424 ( 2.049 -0.175 0.815) 2.212 2.881 ( -6.344 -0.188 -0.418) 6.360 2.893 ( -5.926 -0.336 0.148) 5.937 2.915 ( 1.921 0.140 0.154) 1.933 2.944 ( 0.846 0.120 -0.042) 0.856 2.961 ( -1.308 0.056 -0.736) 1.502 3.040 ( -4.871 0.093 0.932) 4.961 4.053 ( 6.559 0.037 -0.033) 6.560 4.063 ( 6.291 0.010 0.146) 6.293 4.745 ( -3.289 0.013 0.028) 3.289 4.748 ( -3.088 0.001 0.072) 3.089 4.977 ( -0.712 0.008 -0.022) 0.712 4.982 ( -0.931 -0.072 0.047) 0.935 5.033 ( -0.308 0.030 -0.059) 0.315 5.039 ( -0.553 -0.020 0.034) 0.555 5.459 ( -1.042 0.076 -0.029) 1.045 5.464 ( -1.173 0.025 0.041) 1.174 7.612 ( -0.581 0.042 0.136) 0.598 7.620 ( -0.678 -0.078 0.169) 0.703 8.359 ( -0.178 -0.197 -0.009) 0.266 8.367 ( -0.473 -0.385 -0.050) 0.612 8.505 ( 1.593 0.198 -0.185) 1.616 8.554 ( 1.420 0.287 1.007) 1.764 8.583 ( -0.837 1.897 -0.399) 2.112 8.610 ( -1.278 -1.646 -0.322) 2.109 ======================= Grid point 471 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 5.986 -0.000 -0.706) 6.027 0.860 ( -3.995 0.000 0.050) 3.995 1.032 ( -1.999 0.000 2.589) 3.271 1.036 ( 9.327 -0.000 1.801) 9.499 1.130 ( -3.425 0.000 -2.057) 3.995 1.369 ( -6.292 0.000 -1.099) 6.388 1.463 ( -12.658 0.000 0.005) 12.658 1.484 ( -11.759 0.000 3.195) 12.185 1.550 ( -3.998 0.000 -3.291) 5.178 1.634 ( 0.760 -0.000 0.277) 0.808 1.644 ( -3.651 0.000 0.074) 3.652 1.721 ( -2.365 0.000 1.737) 2.934 1.733 ( -4.676 0.000 -2.507) 5.305 1.832 ( 2.284 -0.000 1.227) 2.593 1.869 ( 2.725 -0.000 0.156) 2.730 1.965 ( -1.529 0.000 -2.123) 2.617 2.019 ( 3.659 -0.000 4.239) 5.600 2.068 ( 1.929 -0.000 0.424) 1.975 2.117 ( 4.027 -0.000 -2.229) 4.603 2.242 ( -0.755 0.000 0.616) 0.974 2.244 ( 0.379 -0.000 0.150) 0.407 2.264 ( 3.002 -0.000 -0.152) 3.006 2.329 ( -0.302 0.000 -0.578) 0.652 2.365 ( 4.680 -0.000 0.814) 4.750 2.857 ( 3.999 -0.000 -0.378) 4.016 2.905 ( 2.982 -0.000 0.303) 2.998 3.001 ( -6.734 0.000 -0.188) 6.737 3.008 ( -6.120 0.000 -0.062) 6.120 3.014 ( -4.289 0.000 -0.665) 4.341 3.131 ( -4.656 0.000 0.755) 4.717 3.902 ( 10.370 -0.000 -0.151) 10.371 3.914 ( 10.370 -0.000 0.022) 10.370 4.810 ( -3.669 0.000 -0.025) 3.669 4.816 ( -4.399 0.000 0.058) 4.399 4.994 ( -1.222 0.000 -0.057) 1.223 5.002 ( -1.245 0.000 0.034) 1.246 5.043 ( -0.761 0.000 -0.055) 0.763 5.051 ( -0.685 0.000 0.044) 0.687 5.483 ( -1.506 0.000 -0.027) 1.506 5.487 ( -1.349 0.000 0.024) 1.350 7.631 ( -1.495 0.000 0.057) 1.496 7.634 ( -0.932 0.000 0.092) 0.937 8.362 ( -0.323 0.000 -0.151) 0.357 8.376 ( -0.656 0.000 -0.058) 0.659 8.486 ( 0.737 -0.000 0.096) 0.743 8.526 ( 1.838 -0.000 0.513) 1.909 8.593 ( 0.719 -0.000 -0.418) 0.832 8.622 ( -0.944 0.000 -0.062) 0.946 ======================= Grid point 473 (161/171) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 5.946 -0.000 0.000) 5.946 0.860 ( -3.957 0.000 -0.000) 3.957 1.044 ( -1.667 0.000 -0.000) 1.667 1.044 ( 9.686 -0.000 0.000) 9.686 1.122 ( -3.413 0.000 -0.000) 3.413 1.364 ( -6.383 0.000 -0.000) 6.383 1.463 ( -12.483 0.000 -0.000) 12.483 1.504 ( -17.290 0.000 -0.000) 17.290 1.530 ( 1.603 -0.000 0.000) 1.603 1.635 ( 0.854 -0.000 0.000) 0.854 1.645 ( -4.464 0.000 -0.000) 4.464 1.722 ( -4.471 0.000 -0.000) 4.471 1.730 ( -3.224 0.000 -0.000) 3.224 1.834 ( 1.249 -0.000 0.000) 1.249 1.872 ( 5.218 -0.000 0.000) 5.218 1.955 ( -1.951 0.000 -0.000) 1.951 2.038 ( 9.348 -0.000 0.000) 9.348 2.072 ( -6.770 0.000 -0.000) 6.770 2.105 ( 7.611 -0.000 0.000) 7.611 2.244 ( -0.979 0.000 -0.000) 0.979 2.244 ( 0.276 0.000 0.000) 0.276 2.264 ( 2.930 -0.000 0.000) 2.930 2.327 ( -0.503 0.000 -0.000) 0.503 2.369 ( 4.823 -0.000 0.000) 4.823 2.856 ( 4.055 -0.000 0.000) 4.055 2.906 ( 3.000 -0.000 0.000) 3.000 3.000 ( -6.880 0.000 -0.000) 6.880 3.007 ( -6.159 0.000 -0.000) 6.159 3.011 ( -4.153 0.000 -0.000) 4.153 3.135 ( -4.639 0.000 -0.000) 4.639 3.901 ( 10.387 -0.000 0.000) 10.387 3.914 ( 10.386 -0.000 0.000) 10.386 4.810 ( -3.638 0.000 -0.000) 3.638 4.817 ( -4.407 0.000 -0.000) 4.407 4.994 ( -1.215 0.000 -0.000) 1.215 5.002 ( -1.239 0.000 -0.000) 1.239 5.042 ( -0.765 0.000 -0.000) 0.765 5.051 ( -0.684 0.000 -0.000) 0.684 5.483 ( -1.509 0.000 -0.000) 1.509 5.487 ( -1.345 0.000 -0.000) 1.345 7.631 ( -1.494 0.000 -0.000) 1.494 7.635 ( -0.903 0.000 -0.000) 0.903 8.361 ( -0.299 0.000 -0.000) 0.299 8.376 ( -0.639 0.000 -0.000) 0.639 8.486 ( 0.671 -0.000 0.000) 0.671 8.529 ( 1.875 -0.000 0.000) 1.875 8.591 ( 0.794 -0.000 0.000) 0.794 8.621 ( -0.992 0.000 -0.000) 0.992 ======================= Grid point 484 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -0.000 5.081 5.996) 7.860 0.846 ( -0.000 -0.363 -4.599) 4.614 0.937 ( 0.000 9.150 1.801) 9.326 0.969 ( -0.000 7.798 -1.993) 8.049 1.141 ( -0.000 3.289 2.780) 4.307 1.170 ( -0.000 0.550 0.913) 1.066 1.208 ( -0.000 6.664 1.079) 6.751 1.238 ( 0.000 3.403 -1.051) 3.562 1.566 ( 0.000 -4.168 -0.638) 4.217 1.569 ( 0.000 -4.688 -1.033) 4.801 1.659 ( 0.000 0.377 -0.638) 0.741 1.659 ( 0.000 0.494 -0.928) 1.051 1.736 ( 0.000 -3.765 0.305) 3.778 1.748 ( 0.000 -3.604 -1.164) 3.787 1.904 ( -0.000 2.226 2.453) 3.312 1.928 ( -0.000 0.897 -0.544) 1.049 2.082 ( -0.000 -1.568 1.389) 2.095 2.084 ( -0.000 -1.477 1.189) 1.896 2.297 ( 0.000 -0.922 3.421) 3.543 2.324 ( -0.000 -2.825 0.707) 2.912 2.354 ( -0.000 0.579 -0.537) 0.790 2.361 ( 0.000 0.234 -1.388) 1.408 2.410 ( -0.000 -0.354 -0.428) 0.556 2.421 ( -0.000 -0.987 -2.152) 2.367 2.820 ( 0.000 -0.272 0.030) 0.273 2.824 ( -0.000 -0.507 -0.384) 0.636 2.936 ( 0.000 0.900 1.268) 1.555 2.942 ( -0.000 0.644 0.439) 0.780 2.972 ( -0.000 0.187 -0.401) 0.443 2.975 ( -0.000 -0.239 -0.700) 0.739 4.116 ( -0.000 0.163 0.325) 0.363 4.120 ( -0.000 -0.129 -0.060) 0.142 4.716 ( 0.000 0.027 0.031) 0.041 4.716 ( -0.000 0.012 0.007) 0.014 4.972 ( 0.000 -0.025 0.115) 0.117 4.973 ( 0.000 -0.133 -0.075) 0.152 5.031 ( 0.000 0.068 0.081) 0.106 5.033 ( -0.000 -0.037 -0.108) 0.115 5.450 ( -0.000 0.201 0.039) 0.205 5.450 ( 0.000 0.170 -0.019) 0.171 7.609 ( -0.000 0.125 0.357) 0.378 7.613 ( -0.000 -0.165 -0.159) 0.229 8.359 ( -0.000 -0.091 0.363) 0.374 8.365 ( 0.000 -0.539 -0.378) 0.658 8.532 ( -0.000 0.956 0.500) 1.079 8.541 ( 0.000 0.468 -0.560) 0.730 8.585 ( 0.000 0.256 0.521) 0.580 8.593 ( 0.000 -0.134 -0.457) 0.476 ======================= Grid point 485 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -1.411 1.557 0.888) 2.282 0.869 ( -2.271 1.665 -0.691) 2.899 1.026 ( -2.003 7.335 0.763) 7.642 1.120 ( 4.549 -2.451 0.807) 5.229 1.146 ( -3.843 8.723 0.377) 9.540 1.223 ( -7.936 -0.443 2.355) 8.290 1.242 ( -6.799 -1.682 -1.660) 7.198 1.264 ( -4.147 -1.660 -1.080) 4.595 1.546 ( 0.002 -0.319 0.113) 0.339 1.595 ( -5.183 -2.228 -0.694) 5.685 1.634 ( 1.148 0.687 -0.497) 1.427 1.688 ( 0.599 -0.888 -0.310) 1.115 1.691 ( -1.685 -0.411 0.044) 1.735 1.791 ( -4.378 -1.172 -0.182) 4.535 1.924 ( -0.574 0.703 1.179) 1.488 1.965 ( -1.053 2.273 0.269) 2.520 2.001 ( 3.340 -2.412 0.400) 4.139 2.113 ( -0.213 -0.379 0.426) 0.609 2.253 ( 7.592 0.086 1.140) 7.678 2.266 ( 3.519 -0.609 0.324) 3.586 2.304 ( 4.862 -0.384 0.474) 4.900 2.327 ( 1.275 -0.119 -1.347) 1.859 2.334 ( 3.190 -0.225 -1.004) 3.351 2.429 ( 1.596 -0.279 0.314) 1.650 2.878 ( -6.401 -0.282 -0.178) 6.410 2.894 ( -6.204 -0.262 0.068) 6.210 2.917 ( 2.457 0.067 0.117) 2.461 2.944 ( 1.246 0.244 -0.054) 1.271 2.957 ( -1.553 -0.004 -0.268) 1.576 3.045 ( -5.042 0.188 0.331) 5.056 4.053 ( 6.638 0.006 -0.011) 6.638 4.063 ( 6.323 0.022 0.053) 6.323 4.746 ( -3.308 0.008 0.011) 3.308 4.748 ( -3.078 0.007 0.027) 3.078 4.977 ( -0.690 -0.010 -0.007) 0.691 4.982 ( -0.939 -0.057 0.017) 0.941 5.033 ( -0.293 0.016 -0.021) 0.294 5.039 ( -0.570 -0.004 0.012) 0.570 5.459 ( -1.035 0.066 -0.010) 1.037 5.464 ( -1.172 0.038 0.014) 1.173 7.613 ( -0.556 -0.018 0.052) 0.558 7.621 ( -0.685 0.007 0.064) 0.688 8.359 ( -0.095 -0.277 -0.002) 0.293 8.367 ( -0.486 -0.272 -0.023) 0.558 8.504 ( 1.558 0.198 -0.052) 1.572 8.560 ( 1.738 0.260 0.475) 1.820 8.580 ( -1.226 1.899 -0.252) 2.274 8.608 ( -1.195 -1.587 -0.131) 1.991 ======================= Grid point 496 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.000 2.441 -5.430) 5.954 0.804 ( 0.000 2.441 5.430) 5.954 0.953 ( -0.000 8.559 -1.601) 8.707 0.953 ( 0.000 8.559 1.601) 8.707 1.163 ( -0.000 2.110 -2.096) 2.974 1.163 ( 0.000 2.110 2.096) 2.974 1.224 ( -0.000 4.552 -2.196) 5.054 1.224 ( 0.000 4.552 2.196) 5.054 1.564 ( 0.000 -4.306 -0.069) 4.307 1.564 ( 0.000 -4.306 0.069) 4.307 1.656 ( 0.000 0.516 -0.003) 0.516 1.656 ( 0.000 0.516 0.003) 0.516 1.740 ( 0.000 -3.711 -0.396) 3.732 1.740 ( 0.000 -3.711 0.396) 3.732 1.920 ( -0.000 1.690 -1.464) 2.236 1.920 ( 0.000 1.690 1.464) 2.236 2.088 ( 0.000 -1.607 -0.016) 1.607 2.088 ( 0.000 -1.607 0.016) 1.607 2.321 ( -0.000 -2.144 -1.869) 2.844 2.321 ( 0.000 -2.144 1.869) 2.844 2.351 ( 0.000 0.570 -0.148) 0.589 2.351 ( 0.000 0.570 0.148) 0.589 2.410 ( 0.000 -0.559 -0.173) 0.585 2.410 ( 0.000 -0.559 0.173) 0.585 2.821 ( -0.000 -0.398 -0.149) 0.425 2.821 ( 0.000 -0.398 0.149) 0.425 2.943 ( -0.000 0.719 -0.267) 0.767 2.943 ( 0.000 0.719 0.267) 0.767 2.971 ( 0.000 0.072 -0.079) 0.107 2.971 ( 0.000 0.072 0.079) 0.107 4.119 ( -0.000 0.007 -0.187) 0.187 4.119 ( 0.000 0.007 0.187) 0.187 4.716 ( 0.000 0.022 -0.002) 0.022 4.716 ( 0.000 0.022 0.002) 0.022 4.973 ( -0.000 -0.081 -0.083) 0.116 4.973 ( 0.000 -0.081 0.083) 0.116 5.032 ( -0.000 0.018 -0.080) 0.082 5.032 ( 0.000 0.018 0.080) 0.082 5.450 ( 0.000 0.186 -0.012) 0.186 5.450 ( 0.000 0.186 0.012) 0.186 7.612 ( -0.000 -0.004 -0.254) 0.254 7.612 ( 0.000 -0.004 0.254) 0.254 8.362 ( -0.000 -0.293 -0.377) 0.478 8.362 ( 0.000 -0.293 0.377) 0.478 8.537 ( -0.000 0.735 -0.328) 0.805 8.537 ( 0.000 0.735 0.328) 0.805 8.589 ( -0.000 0.054 -0.333) 0.338 8.589 ( 0.000 0.054 0.333) 0.338 ======================= Grid point 538 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.133 -0.016 0.000) 0.134 0.894 ( 0.133 0.016 0.000) 0.134 0.927 ( 2.057 -2.681 0.000) 3.379 0.927 ( 2.057 2.681 0.000) 3.379 1.278 ( -4.980 -0.208 0.000) 4.985 1.278 ( -4.980 0.208 0.000) 4.985 1.464 ( -13.015 -0.159 -0.000) 13.016 1.464 ( -13.015 0.159 -0.000) 13.016 1.609 ( -1.930 -0.818 0.000) 2.096 1.609 ( -1.930 0.818 -0.000) 2.096 1.704 ( 2.994 -0.009 0.000) 2.994 1.704 ( 2.994 0.009 0.000) 2.994 1.783 ( 2.050 -0.003 0.000) 2.050 1.783 ( 2.050 0.003 0.000) 2.050 1.873 ( -7.919 -3.424 0.000) 8.627 1.873 ( -7.919 3.424 -0.000) 8.627 2.041 ( 0.005 -0.689 0.000) 0.689 2.041 ( 0.005 0.689 0.000) 0.689 2.190 ( 4.057 -0.255 0.000) 4.065 2.190 ( 4.057 0.255 0.000) 4.065 2.249 ( 2.498 -0.111 0.000) 2.501 2.249 ( 2.498 0.111 0.000) 2.501 2.344 ( 1.674 -0.311 0.000) 1.703 2.344 ( 1.674 0.311 0.000) 1.703 2.883 ( 3.187 -0.347 0.000) 3.205 2.883 ( 3.187 0.347 0.000) 3.205 3.008 ( -5.900 -0.623 -0.000) 5.933 3.008 ( -5.900 0.623 -0.000) 5.933 3.072 ( -4.888 -0.073 0.000) 4.888 3.072 ( -4.888 0.073 0.000) 4.888 3.910 ( 10.213 -0.026 0.000) 10.213 3.910 ( 10.213 0.026 0.000) 10.213 4.812 ( -4.141 -0.046 -0.000) 4.141 4.812 ( -4.141 0.046 -0.000) 4.141 4.999 ( -1.294 -0.103 0.000) 1.298 4.999 ( -1.294 0.103 -0.000) 1.298 5.047 ( -0.709 -0.139 0.000) 0.722 5.047 ( -0.709 0.139 -0.000) 0.722 5.485 ( -1.436 -0.236 0.000) 1.455 5.485 ( -1.436 0.236 -0.000) 1.455 7.630 ( -1.355 -0.300 -0.000) 1.388 7.630 ( -1.355 0.300 -0.000) 1.388 8.373 ( -0.685 -0.104 0.000) 0.693 8.373 ( -0.685 0.104 0.000) 0.693 8.495 ( 1.420 -0.114 0.000) 1.424 8.495 ( 1.420 0.114 0.000) 1.424 8.616 ( -0.234 -2.373 0.000) 2.384 8.616 ( -0.234 2.373 -0.000) 2.384 ======================= Grid point 550 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 -10.596 0.000) 10.596 0.776 ( -0.000 10.596 -0.000) 10.596 1.008 ( 0.000 -4.766 0.000) 4.766 1.008 ( -0.000 4.766 -0.000) 4.766 1.175 ( 0.000 -0.397 0.000) 0.397 1.175 ( -0.000 0.397 -0.000) 0.397 1.211 ( 0.000 -0.741 0.000) 0.741 1.211 ( -0.000 0.741 -0.000) 0.741 1.566 ( 0.000 -0.674 0.000) 0.674 1.566 ( -0.000 0.674 -0.000) 0.674 1.711 ( 0.000 -0.742 0.000) 0.742 1.711 ( -0.000 0.742 -0.000) 0.742 1.717 ( 0.000 -0.257 0.000) 0.257 1.717 ( -0.000 0.257 -0.000) 0.257 1.877 ( 0.000 -4.268 0.000) 4.268 1.877 ( -0.000 4.268 -0.000) 4.268 2.013 ( 0.000 -0.424 0.000) 0.424 2.013 ( -0.000 0.424 -0.000) 0.424 2.261 ( 0.000 -2.421 0.000) 2.421 2.261 ( -0.000 2.421 -0.000) 2.421 2.371 ( 0.000 -0.344 0.000) 0.344 2.371 ( -0.000 0.344 -0.000) 0.344 2.448 ( 0.000 -2.229 0.000) 2.229 2.448 ( -0.000 2.229 -0.000) 2.229 2.829 ( 0.000 -0.285 0.000) 0.285 2.829 ( -0.000 0.285 -0.000) 0.285 2.918 ( 0.000 -1.234 0.000) 1.234 2.918 ( -0.000 1.234 -0.000) 1.234 2.983 ( 0.000 -0.107 0.000) 0.107 2.983 ( -0.000 0.107 -0.000) 0.107 4.113 ( 0.000 -0.249 0.000) 0.249 4.113 ( -0.000 0.249 -0.000) 0.249 4.715 ( 0.000 -0.023 0.000) 0.023 4.715 ( -0.000 0.023 -0.000) 0.023 4.971 ( 0.000 -0.185 0.000) 0.185 4.971 ( -0.000 0.185 -0.000) 0.185 5.033 ( 0.000 -0.186 0.000) 0.186 5.033 ( -0.000 0.186 -0.000) 0.186 5.451 ( 0.000 -0.059 0.000) 0.059 5.451 ( -0.000 0.059 -0.000) 0.059 7.606 ( 0.000 -0.504 0.000) 0.504 7.606 ( -0.000 0.504 -0.000) 0.504 8.358 ( 0.000 -0.700 0.000) 0.700 8.358 ( -0.000 0.700 -0.000) 0.700 8.541 ( 0.000 -1.073 0.000) 1.073 8.541 ( -0.000 1.073 -0.000) 1.073 8.590 ( 0.000 -1.058 0.000) 1.058 8.590 ( -0.000 1.058 -0.000) 1.058 ======================= Grid point 562 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 -10.068 1.121) 10.130 0.781 ( -0.000 10.068 1.121) 10.130 1.009 ( 0.000 -4.533 0.342) 4.545 1.009 ( -0.000 4.533 0.342) 4.545 1.166 ( -0.000 -0.027 -1.374) 1.374 1.166 ( -0.000 0.027 -1.374) 1.374 1.225 ( 0.000 -0.580 2.558) 2.623 1.225 ( 0.000 0.580 2.558) 2.623 1.561 ( -0.000 -0.377 -1.102) 1.165 1.561 ( -0.000 0.377 -1.102) 1.165 1.698 ( -0.000 -0.074 -2.033) 2.035 1.698 ( -0.000 0.074 -2.033) 2.035 1.725 ( 0.000 -1.150 0.591) 1.293 1.725 ( 0.000 1.150 0.591) 1.293 1.882 ( 0.000 -3.807 1.344) 4.037 1.882 ( 0.000 3.807 1.344) 4.037 2.021 ( 0.000 -0.197 1.721) 1.732 2.021 ( 0.000 0.197 1.721) 1.732 2.263 ( 0.000 -2.347 0.433) 2.387 2.263 ( 0.000 2.347 0.433) 2.387 2.370 ( 0.000 -0.241 -0.054) 0.247 2.370 ( 0.000 0.241 -0.054) 0.247 2.444 ( -0.000 -2.047 -0.809) 2.201 2.444 ( -0.000 2.047 -0.809) 2.201 2.828 ( -0.000 -0.292 -0.317) 0.430 2.828 ( -0.000 0.292 -0.317) 0.430 2.921 ( 0.000 -1.060 0.696) 1.268 2.921 ( 0.000 1.060 0.696) 1.268 2.982 ( -0.000 -0.023 -0.195) 0.197 2.982 ( -0.000 0.023 -0.195) 0.197 4.114 ( 0.000 -0.239 0.116) 0.266 4.114 ( 0.000 0.239 0.116) 0.266 4.715 ( 0.000 -0.012 0.023) 0.026 4.715 ( 0.000 0.012 0.023) 0.026 4.971 ( 0.000 -0.174 0.016) 0.174 4.971 ( -0.000 0.174 0.016) 0.174 5.033 ( 0.000 -0.174 -0.009) 0.174 5.033 ( -0.000 0.174 -0.009) 0.174 5.451 ( 0.000 -0.050 0.010) 0.051 5.451 ( 0.000 0.050 0.010) 0.051 7.606 ( 0.000 -0.476 0.126) 0.492 7.606 ( 0.000 0.476 0.126) 0.492 8.358 ( 0.000 -0.663 0.036) 0.664 8.358 ( -0.000 0.663 0.036) 0.664 8.541 ( 0.000 -0.950 0.034) 0.950 8.541 ( 0.000 0.950 0.034) 0.950 8.590 ( 0.000 -0.992 -0.012) 0.992 8.590 ( -0.000 0.992 -0.012) 0.992 ======================= Grid point 574 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 0.000 -8.529 1.716) 8.700 0.793 ( 0.000 8.529 1.716) 8.700 1.013 ( 0.000 -3.789 0.520) 3.825 1.013 ( 0.000 3.789 0.520) 3.825 1.159 ( 0.000 -0.050 -0.387) 0.391 1.159 ( 0.000 0.050 -0.387) 0.391 1.246 ( 0.000 -0.782 2.273) 2.403 1.246 ( 0.000 0.782 2.273) 2.403 1.550 ( -0.000 -0.027 -1.651) 1.652 1.550 ( -0.000 0.027 -1.651) 1.652 1.682 ( -0.000 -0.378 -1.657) 1.700 1.682 ( -0.000 0.378 -1.657) 1.700 1.725 ( -0.000 -1.441 -0.395) 1.494 1.725 ( -0.000 1.441 -0.395) 1.494 1.897 ( 0.000 -2.843 2.121) 3.547 1.897 ( 0.000 2.843 2.121) 3.547 2.038 ( 0.000 -0.073 2.465) 2.467 2.038 ( 0.000 0.073 2.465) 2.467 2.268 ( 0.000 -2.105 1.025) 2.341 2.268 ( 0.000 2.105 1.025) 2.341 2.369 ( 0.000 -0.195 -0.191) 0.273 2.369 ( 0.000 0.195 -0.191) 0.273 2.435 ( -0.000 -1.487 -1.453) 2.079 2.435 ( -0.000 1.487 -1.453) 2.079 2.825 ( -0.000 -0.263 -0.432) 0.506 2.825 ( -0.000 0.263 -0.432) 0.506 2.928 ( 0.000 -0.688 1.089) 1.289 2.928 ( 0.000 0.688 1.089) 1.289 2.980 ( -0.000 -0.000 -0.357) 0.357 2.980 ( -0.000 0.000 -0.357) 0.357 4.115 ( 0.000 -0.206 0.185) 0.277 4.115 ( 0.000 0.206 0.185) 0.277 4.715 ( 0.000 -0.005 0.037) 0.038 4.715 ( 0.000 0.005 0.037) 0.038 4.971 ( 0.000 -0.141 0.026) 0.143 4.971 ( 0.000 0.141 0.026) 0.143 5.033 ( 0.000 -0.139 -0.015) 0.140 5.033 ( -0.000 0.139 -0.015) 0.140 5.451 ( 0.000 -0.031 0.016) 0.035 5.451 ( 0.000 0.031 0.016) 0.035 7.608 ( 0.000 -0.396 0.204) 0.445 7.608 ( 0.000 0.396 0.204) 0.445 8.359 ( 0.000 -0.557 0.054) 0.559 8.359 ( -0.000 0.557 0.054) 0.559 8.541 ( 0.000 -0.654 0.056) 0.657 8.541 ( 0.000 0.654 0.056) 0.657 8.590 ( 0.000 -0.801 -0.015) 0.802 8.590 ( -0.000 0.801 -0.015) 0.802 ======================= Grid point 587 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 -6.123 1.592) 6.326 0.807 ( 0.000 6.123 1.592) 6.326 1.017 ( 0.000 -2.542 0.429) 2.577 1.017 ( 0.000 2.542 0.429) 2.577 1.161 ( 0.000 -0.410 0.969) 1.052 1.161 ( 0.000 0.410 0.969) 1.052 1.259 ( 0.000 -0.832 0.808) 1.160 1.259 ( 0.000 0.832 0.808) 1.160 1.537 ( -0.000 -0.019 -1.262) 1.262 1.537 ( -0.000 0.019 -1.262) 1.262 1.671 ( -0.000 -0.224 -1.106) 1.128 1.671 ( -0.000 0.224 -1.106) 1.128 1.720 ( -0.000 -1.066 -0.738) 1.296 1.720 ( -0.000 1.066 -0.738) 1.296 1.915 ( 0.000 -1.832 2.040) 2.742 1.915 ( 0.000 1.832 2.040) 2.742 2.058 ( 0.000 -0.033 2.085) 2.085 2.058 ( 0.000 0.033 2.085) 2.085 2.280 ( 0.000 -1.638 1.699) 2.360 2.280 ( 0.000 1.638 1.699) 2.360 2.367 ( -0.000 -0.187 -0.527) 0.559 2.367 ( -0.000 0.187 -0.527) 0.559 2.422 ( -0.000 -0.606 -1.653) 1.761 2.422 ( -0.000 0.606 -1.653) 1.761 2.821 ( -0.000 -0.157 -0.360) 0.392 2.821 ( -0.000 0.157 -0.360) 0.392 2.938 ( 0.000 -0.336 1.114) 1.164 2.938 ( 0.000 0.336 1.114) 1.164 2.976 ( -0.000 -0.004 -0.451) 0.451 2.976 ( -0.000 0.004 -0.451) 0.451 4.117 ( 0.000 -0.140 0.182) 0.230 4.117 ( 0.000 0.140 0.182) 0.230 4.716 ( 0.000 -0.002 0.037) 0.037 4.716 ( 0.000 0.002 0.037) 0.037 4.972 ( 0.000 -0.091 0.026) 0.094 4.972 ( 0.000 0.091 0.026) 0.094 5.032 ( -0.000 -0.086 -0.015) 0.087 5.032 ( -0.000 0.086 -0.015) 0.087 5.451 ( 0.000 -0.014 0.016) 0.021 5.451 ( 0.000 0.014 0.016) 0.021 7.610 ( 0.000 -0.270 0.204) 0.338 7.610 ( 0.000 0.270 0.204) 0.338 8.359 ( 0.000 -0.394 0.050) 0.397 8.359 ( -0.000 0.394 0.050) 0.397 8.542 ( 0.000 -0.329 0.056) 0.334 8.542 ( 0.000 0.329 0.056) 0.334 8.589 ( 0.000 -0.505 -0.010) 0.505 8.589 ( 0.000 0.505 -0.010) 0.505 ======================= Grid point 600 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 -3.065 0.921) 3.200 0.818 ( 0.000 3.065 0.921) 3.200 1.020 ( 0.000 -1.020 0.197) 1.039 1.020 ( 0.000 1.020 0.197) 1.039 1.172 ( 0.000 -0.561 1.481) 1.583 1.172 ( 0.000 0.561 1.481) 1.583 1.259 ( -0.000 -0.253 -0.493) 0.554 1.259 ( -0.000 0.253 -0.493) 0.554 1.530 ( -0.000 -0.012 -0.465) 0.465 1.530 ( -0.000 0.012 -0.465) 0.465 1.664 ( -0.000 -0.025 -0.591) 0.592 1.664 ( -0.000 0.025 -0.591) 0.592 1.715 ( -0.000 -0.373 -0.511) 0.633 1.715 ( -0.000 0.373 -0.511) 0.633 1.928 ( 0.000 -0.794 1.231) 1.465 1.928 ( 0.000 0.794 1.231) 1.465 2.071 ( 0.000 -0.012 1.089) 1.089 2.071 ( 0.000 0.012 1.089) 1.089 2.295 ( 0.000 -0.829 1.795) 1.977 2.295 ( 0.000 0.829 1.795) 1.977 2.361 ( -0.000 -0.096 -0.924) 0.929 2.361 ( -0.000 0.096 -0.924) 0.929 2.410 ( -0.000 -0.075 -1.076) 1.078 2.410 ( -0.000 0.075 -1.076) 1.078 2.819 ( -0.000 -0.044 -0.194) 0.199 2.819 ( -0.000 0.044 -0.194) 0.199 2.946 ( 0.000 -0.101 0.778) 0.785 2.946 ( 0.000 0.101 0.778) 0.785 2.973 ( 0.000 -0.004 -0.395) 0.395 2.973 ( 0.000 0.004 -0.395) 0.395 4.118 ( 0.000 -0.050 0.111) 0.122 4.118 ( 0.000 0.050 0.111) 0.122 4.716 ( 0.000 -0.001 0.023) 0.023 4.716 ( 0.000 0.001 0.023) 0.023 4.972 ( 0.000 -0.032 0.016) 0.036 4.972 ( 0.000 0.032 0.016) 0.036 5.032 ( 0.000 -0.028 -0.009) 0.030 5.032 ( 0.000 0.028 -0.009) 0.030 5.451 ( 0.000 -0.003 0.010) 0.011 5.451 ( 0.000 0.003 0.010) 0.011 7.611 ( 0.000 -0.111 0.126) 0.168 7.611 ( 0.000 0.111 0.126) 0.168 8.360 ( 0.000 -0.189 0.028) 0.191 8.360 ( 0.000 0.189 0.028) 0.191 8.542 ( 0.000 -0.088 0.035) 0.095 8.542 ( 0.000 0.088 0.035) 0.095 8.589 ( 0.000 -0.171 -0.004) 0.171 8.589 ( 0.000 0.171 -0.004) 0.171 ======================= Grid point 602 (171/171) ======================= q-point: ( 0.00 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 0.000 0.000) 0.000 0.822 ( 0.000 0.000 0.000) 0.000 1.020 ( 0.000 0.000 -0.000) 0.000 1.020 ( 0.000 0.000 -0.000) 0.000 1.180 ( 0.000 0.000 -0.000) 0.000 1.180 ( 0.000 0.000 -0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 -0.000) 0.000 1.662 ( 0.000 0.000 -0.000) 0.000 1.712 ( 0.000 0.000 -0.000) 0.000 1.712 ( 0.000 0.000 -0.000) 0.000 1.934 ( 0.000 0.000 -0.000) 0.000 1.934 ( 0.000 0.000 -0.000) 0.000 2.075 ( 0.000 0.000 -0.000) 0.000 2.075 ( 0.000 0.000 -0.000) 0.000 2.304 ( 0.000 0.000 -0.000) 0.000 2.304 ( 0.000 0.000 -0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 -0.000) 0.000 2.406 ( 0.000 0.000 -0.000) 0.000 2.818 ( 0.000 0.000 -0.000) 0.000 2.818 ( 0.000 0.000 -0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 -0.000) 0.000 2.971 ( 0.000 0.000 -0.000) 0.000 4.118 ( 0.000 0.000 -0.000) 0.000 4.118 ( 0.000 0.000 -0.000) 0.000 4.716 ( 0.000 0.000 -0.000) 0.000 4.716 ( 0.000 0.000 -0.000) 0.000 4.972 ( 0.000 0.000 -0.000) 0.000 4.972 ( 0.000 0.000 -0.000) 0.000 5.032 ( 0.000 0.000 -0.000) 0.000 5.032 ( 0.000 0.000 -0.000) 0.000 5.451 ( 0.000 0.000 -0.000) 0.000 5.451 ( 0.000 0.000 -0.000) 0.000 7.611 ( 0.000 0.000 -0.000) 0.000 7.611 ( 0.000 0.000 -0.000) 0.000 8.360 ( 0.000 0.000 -0.000) 0.000 8.360 ( 0.000 0.000 -0.000) 0.000 8.542 ( 0.000 0.000 -0.000) 0.000 8.542 ( 0.000 0.000 -0.000) 0.000 8.589 ( 0.000 0.000 -0.000) 0.000 8.589 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/48000 10.0 54.083 49.421 36.017 -0.000 0.000 0.000 3/48000 20.0 16.007 8.841 6.296 -0.000 0.000 0.000 3/48000 30.0 9.437 4.181 2.962 -0.000 0.000 0.000 3/48000 40.0 6.872 2.731 1.935 -0.000 0.000 0.000 3/48000 50.0 5.483 2.043 1.449 -0.000 0.000 0.000 3/48000 60.0 4.591 1.639 1.164 -0.000 0.000 0.000 3/48000 70.0 3.959 1.374 0.976 -0.000 0.000 0.000 3/48000 80.0 3.484 1.184 0.842 -0.000 0.000 0.000 3/48000 90.0 3.112 1.042 0.741 -0.000 0.000 0.000 3/48000 100.0 2.813 0.932 0.663 -0.000 0.000 0.000 3/48000 110.0 2.566 0.843 0.600 -0.000 0.000 0.000 3/48000 120.0 2.359 0.770 0.548 -0.000 0.000 0.000 3/48000 130.0 2.184 0.709 0.504 -0.000 0.000 0.000 3/48000 140.0 2.032 0.657 0.467 -0.000 0.000 0.000 3/48000 150.0 1.900 0.613 0.435 -0.000 0.000 0.000 3/48000 160.0 1.784 0.574 0.408 -0.000 0.000 0.000 3/48000 170.0 1.682 0.540 0.383 -0.000 0.000 0.000 3/48000 180.0 1.591 0.509 0.362 -0.000 0.000 0.000 3/48000 190.0 1.509 0.483 0.342 -0.000 0.000 0.000 3/48000 200.0 1.435 0.458 0.325 -0.000 0.000 0.000 3/48000 210.0 1.368 0.436 0.310 -0.000 0.000 0.000 3/48000 220.0 1.307 0.417 0.295 -0.000 0.000 0.000 3/48000 230.0 1.251 0.399 0.282 -0.000 0.000 0.000 3/48000 240.0 1.200 0.382 0.271 -0.000 0.000 0.000 3/48000 250.0 1.153 0.367 0.260 -0.000 0.000 0.000 3/48000 260.0 1.109 0.353 0.250 -0.000 0.000 0.000 3/48000 270.0 1.069 0.340 0.240 -0.000 0.000 0.000 3/48000 280.0 1.031 0.328 0.232 -0.000 0.000 0.000 3/48000 290.0 0.996 0.316 0.224 -0.000 0.000 0.000 3/48000 300.0 0.963 0.306 0.216 -0.000 0.000 0.000 3/48000 310.0 0.933 0.296 0.209 -0.000 0.000 0.000 3/48000 320.0 0.904 0.287 0.203 -0.000 0.000 0.000 3/48000 330.0 0.877 0.278 0.197 -0.000 0.000 0.000 3/48000 340.0 0.851 0.270 0.191 -0.000 0.000 0.000 3/48000 350.0 0.827 0.263 0.185 -0.000 0.000 0.000 3/48000 360.0 0.805 0.255 0.180 -0.000 0.000 0.000 3/48000 370.0 0.783 0.249 0.175 -0.000 0.000 0.000 3/48000 380.0 0.763 0.242 0.171 -0.000 0.000 0.000 3/48000 390.0 0.744 0.236 0.166 -0.000 0.000 0.000 3/48000 400.0 0.725 0.230 0.162 -0.000 0.000 0.000 3/48000 410.0 0.708 0.224 0.158 -0.000 0.000 0.000 3/48000 420.0 0.691 0.219 0.155 -0.000 0.000 0.000 3/48000 430.0 0.675 0.214 0.151 -0.000 0.000 0.000 3/48000 440.0 0.660 0.209 0.148 -0.000 0.000 0.000 3/48000 450.0 0.645 0.205 0.144 -0.000 0.000 0.000 3/48000 460.0 0.632 0.200 0.141 -0.000 0.000 0.000 3/48000 470.0 0.618 0.196 0.138 -0.000 0.000 0.000 3/48000 480.0 0.606 0.192 0.135 -0.000 0.000 0.000 3/48000 490.0 0.593 0.188 0.133 -0.000 0.000 0.000 3/48000 500.0 0.582 0.184 0.130 -0.000 0.000 0.000 3/48000 510.0 0.570 0.181 0.127 -0.000 0.000 0.000 3/48000 520.0 0.559 0.177 0.125 -0.000 0.000 0.000 3/48000 530.0 0.549 0.174 0.123 -0.000 0.000 0.000 3/48000 540.0 0.539 0.171 0.120 -0.000 0.000 0.000 3/48000 550.0 0.529 0.168 0.118 -0.000 0.000 0.000 3/48000 560.0 0.520 0.165 0.116 -0.000 0.000 0.000 3/48000 570.0 0.511 0.162 0.114 -0.000 0.000 0.000 3/48000 580.0 0.502 0.159 0.112 -0.000 0.000 0.000 3/48000 590.0 0.494 0.157 0.110 -0.000 0.000 0.000 3/48000 600.0 0.485 0.154 0.108 -0.000 0.000 0.000 3/48000 610.0 0.478 0.151 0.107 -0.000 0.000 0.000 3/48000 620.0 0.470 0.149 0.105 -0.000 0.000 0.000 3/48000 630.0 0.462 0.147 0.103 -0.000 0.000 0.000 3/48000 640.0 0.455 0.144 0.102 -0.000 0.000 0.000 3/48000 650.0 0.448 0.142 0.100 -0.000 0.000 0.000 3/48000 660.0 0.442 0.140 0.099 -0.000 0.000 0.000 3/48000 670.0 0.435 0.138 0.097 -0.000 0.000 0.000 3/48000 680.0 0.429 0.136 0.096 -0.000 0.000 0.000 3/48000 690.0 0.423 0.134 0.094 -0.000 0.000 0.000 3/48000 700.0 0.417 0.132 0.093 -0.000 0.000 0.000 3/48000 710.0 0.411 0.130 0.092 -0.000 0.000 0.000 3/48000 720.0 0.405 0.129 0.090 -0.000 0.000 0.000 3/48000 730.0 0.400 0.127 0.089 -0.000 0.000 0.000 3/48000 740.0 0.394 0.125 0.088 -0.000 0.000 0.000 3/48000 750.0 0.389 0.123 0.087 -0.000 0.000 0.000 3/48000 760.0 0.384 0.122 0.086 -0.000 0.000 0.000 3/48000 770.0 0.379 0.120 0.084 -0.000 0.000 0.000 3/48000 780.0 0.374 0.119 0.083 -0.000 0.000 0.000 3/48000 790.0 0.369 0.117 0.082 -0.000 0.000 0.000 3/48000 800.0 0.365 0.116 0.081 -0.000 0.000 0.000 3/48000 810.0 0.360 0.114 0.080 -0.000 0.000 0.000 3/48000 820.0 0.356 0.113 0.079 -0.000 0.000 0.000 3/48000 830.0 0.352 0.112 0.078 -0.000 0.000 0.000 3/48000 840.0 0.348 0.110 0.077 -0.000 0.000 0.000 3/48000 850.0 0.344 0.109 0.077 -0.000 0.000 0.000 3/48000 860.0 0.340 0.108 0.076 -0.000 0.000 0.000 3/48000 870.0 0.336 0.107 0.075 -0.000 0.000 0.000 3/48000 880.0 0.332 0.105 0.074 -0.000 0.000 0.000 3/48000 890.0 0.328 0.104 0.073 -0.000 0.000 0.000 3/48000 900.0 0.325 0.103 0.072 -0.000 0.000 0.000 3/48000 910.0 0.321 0.102 0.072 -0.000 0.000 0.000 3/48000 920.0 0.318 0.101 0.071 -0.000 0.000 0.000 3/48000 930.0 0.314 0.100 0.070 -0.000 0.000 0.000 3/48000 940.0 0.311 0.099 0.069 -0.000 0.000 0.000 3/48000 950.0 0.308 0.098 0.069 -0.000 0.000 0.000 3/48000 960.0 0.304 0.097 0.068 -0.000 0.000 0.000 3/48000 970.0 0.301 0.096 0.067 -0.000 0.000 0.000 3/48000 980.0 0.298 0.095 0.066 -0.000 0.000 0.000 3/48000 990.0 0.295 0.094 0.066 -0.000 0.000 0.000 3/48000 1000.0 0.292 0.093 0.065 -0.000 0.000 0.000 3/48000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:03:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|