----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:28:19]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.629367500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.629367500000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.894585259999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.33819202790468 6.941 2 Li 0.50000000000000 0.50000000000000 0.83819202790468 6.941 3 Li 0.50000000000000 0.50000000000000 0.16180797209532 6.941 4 Li 0.00000000000000 0.00000000000000 0.66180797209532 6.941 *5 F 0.21249382778678 0.78750617221322 0.50000000000000 18.998 *6 F 0.69454280096467 0.69454280096467 0.65474944864267 18.998 7 F 0.28750617221322 0.28750617221322 0.00000000000000 18.998 8 F 0.71249382778678 0.71249382778678 0.00000000000000 18.998 9 F 0.78750617221322 0.21249382778678 0.50000000000000 18.998 10 F 0.19454280096467 0.80545719903533 0.84525055135733 18.998 11 F 0.30545719903533 0.30545719903533 0.34525055135733 18.998 12 F 0.69454280096467 0.69454280096467 0.34525055135733 18.998 13 F 0.80545719903533 0.19454280096467 0.84525055135733 18.998 14 F 0.80545719903533 0.19454280096467 0.15474944864267 18.998 15 F 0.19454280096467 0.80545719903533 0.15474944864267 18.998 16 F 0.30545719903533 0.30545719903533 0.65474944864267 18.998 *17 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 18 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.629367500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.629367500000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.894585259999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.33819202790468 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.83819202790468 6.941 > 2 3 Li 0.50000000000000 0.50000000000000 0.16180797209532 6.941 > 3 4 Li 0.00000000000000 0.00000000000000 0.66180797209532 6.941 > 4 *5 F 0.21249382778678 0.78750617221322 0.50000000000000 18.998 > 5 *6 F 0.69454280096467 0.69454280096467 0.65474944864267 18.998 > 6 7 F 0.28750617221322 0.28750617221322 0.00000000000000 18.998 > 7 8 F 0.71249382778678 0.71249382778678 0.00000000000000 18.998 > 8 9 F 0.78750617221322 0.21249382778678 0.50000000000000 18.998 > 9 10 F 0.19454280096467 0.80545719903533 0.84525055135733 18.998 > 10 11 F 0.30545719903533 0.30545719903533 0.34525055135733 18.998 > 11 12 F 0.69454280096467 0.69454280096467 0.34525055135733 18.998 > 12 13 F 0.80545719903533 0.19454280096467 0.84525055135733 18.998 > 13 14 F 0.80545719903533 0.19454280096467 0.15474944864267 18.998 > 14 15 F 0.19454280096467 0.80545719903533 0.15474944864267 18.998 > 15 16 F 0.30545719903533 0.30545719903533 0.65474944864267 18.998 > 16 *17 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 17 18 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.258735000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.258735000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.789170519999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.16909601395234 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.16909601395234 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.16909601395234 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.16909601395234 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.66909601395234 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.66909601395234 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.66909601395234 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.66909601395234 6.941 > 1 9 Li 0.25000000000000 0.25000000000000 0.41909601395234 6.941 > 2 10 Li 0.75000000000000 0.25000000000000 0.41909601395234 6.941 > 2 11 Li 0.25000000000000 0.75000000000000 0.41909601395234 6.941 > 2 12 Li 0.75000000000000 0.75000000000000 0.41909601395234 6.941 > 2 13 Li 0.25000000000000 0.25000000000000 0.91909601395234 6.941 > 2 14 Li 0.75000000000000 0.25000000000000 0.91909601395234 6.941 > 2 15 Li 0.25000000000000 0.75000000000000 0.91909601395234 6.941 > 2 16 Li 0.75000000000000 0.75000000000000 0.91909601395234 6.941 > 2 17 Li 0.25000000000000 0.25000000000000 0.08090398604766 6.941 > 3 18 Li 0.75000000000000 0.25000000000000 0.08090398604766 6.941 > 3 19 Li 0.25000000000000 0.75000000000000 0.08090398604766 6.941 > 3 20 Li 0.75000000000000 0.75000000000000 0.08090398604766 6.941 > 3 21 Li 0.25000000000000 0.25000000000000 0.58090398604766 6.941 > 3 22 Li 0.75000000000000 0.25000000000000 0.58090398604766 6.941 > 3 23 Li 0.25000000000000 0.75000000000000 0.58090398604766 6.941 > 3 24 Li 0.75000000000000 0.75000000000000 0.58090398604766 6.941 > 3 25 Li 0.00000000000000 0.00000000000000 0.33090398604766 6.941 > 4 26 Li 0.50000000000000 0.00000000000000 0.33090398604766 6.941 > 4 27 Li 0.00000000000000 0.50000000000000 0.33090398604766 6.941 > 4 28 Li 0.50000000000000 0.50000000000000 0.33090398604766 6.941 > 4 29 Li 0.00000000000000 0.00000000000000 0.83090398604766 6.941 > 4 30 Li 0.50000000000000 0.00000000000000 0.83090398604766 6.941 > 4 31 Li 0.00000000000000 0.50000000000000 0.83090398604766 6.941 > 4 32 Li 0.50000000000000 0.50000000000000 0.83090398604766 6.941 > 4 *33 F 0.10624691389339 0.39375308610661 0.25000000000000 18.998 > 5 34 F 0.60624691389339 0.39375308610661 0.25000000000000 18.998 > 5 35 F 0.10624691389339 0.89375308610661 0.25000000000000 18.998 > 5 36 F 0.60624691389339 0.89375308610661 0.25000000000000 18.998 > 5 37 F 0.10624691389339 0.39375308610661 0.75000000000000 18.998 > 5 38 F 0.60624691389339 0.39375308610661 0.75000000000000 18.998 > 5 39 F 0.10624691389339 0.89375308610661 0.75000000000000 18.998 > 5 40 F 0.60624691389339 0.89375308610661 0.75000000000000 18.998 > 5 *41 F 0.34727140048233 0.34727140048233 0.32737472432134 18.998 > 6 42 F 0.84727140048233 0.34727140048233 0.32737472432134 18.998 > 6 43 F 0.34727140048233 0.84727140048233 0.32737472432134 18.998 > 6 44 F 0.84727140048233 0.84727140048233 0.32737472432134 18.998 > 6 45 F 0.34727140048233 0.34727140048233 0.82737472432134 18.998 > 6 46 F 0.84727140048233 0.34727140048233 0.82737472432134 18.998 > 6 47 F 0.34727140048233 0.84727140048233 0.82737472432134 18.998 > 6 48 F 0.84727140048233 0.84727140048233 0.82737472432134 18.998 > 6 49 F 0.14375308610661 0.14375308610661 0.00000000000000 18.998 > 7 50 F 0.64375308610661 0.14375308610661 0.00000000000000 18.998 > 7 51 F 0.14375308610661 0.64375308610661 0.00000000000000 18.998 > 7 52 F 0.64375308610661 0.64375308610661 0.00000000000000 18.998 > 7 53 F 0.14375308610661 0.14375308610661 0.50000000000000 18.998 > 7 54 F 0.64375308610661 0.14375308610661 0.50000000000000 18.998 > 7 55 F 0.14375308610661 0.64375308610661 0.50000000000000 18.998 > 7 56 F 0.64375308610661 0.64375308610661 0.50000000000000 18.998 > 7 57 F 0.35624691389339 0.35624691389339 0.00000000000000 18.998 > 8 58 F 0.85624691389339 0.35624691389339 0.00000000000000 18.998 > 8 59 F 0.35624691389339 0.85624691389339 0.00000000000000 18.998 > 8 60 F 0.85624691389339 0.85624691389339 0.00000000000000 18.998 > 8 61 F 0.35624691389339 0.35624691389339 0.50000000000000 18.998 > 8 62 F 0.85624691389339 0.35624691389339 0.50000000000000 18.998 > 8 63 F 0.35624691389339 0.85624691389339 0.50000000000000 18.998 > 8 64 F 0.85624691389339 0.85624691389339 0.50000000000000 18.998 > 8 65 F 0.39375308610661 0.10624691389339 0.25000000000000 18.998 > 9 66 F 0.89375308610661 0.10624691389339 0.25000000000000 18.998 > 9 67 F 0.39375308610661 0.60624691389339 0.25000000000000 18.998 > 9 68 F 0.89375308610661 0.60624691389339 0.25000000000000 18.998 > 9 69 F 0.39375308610661 0.10624691389339 0.75000000000000 18.998 > 9 70 F 0.89375308610661 0.10624691389339 0.75000000000000 18.998 > 9 71 F 0.39375308610661 0.60624691389339 0.75000000000000 18.998 > 9 72 F 0.89375308610661 0.60624691389339 0.75000000000000 18.998 > 9 73 F 0.09727140048233 0.40272859951767 0.42262527567866 18.998 > 10 74 F 0.59727140048233 0.40272859951767 0.42262527567866 18.998 > 10 75 F 0.09727140048233 0.90272859951767 0.42262527567866 18.998 > 10 76 F 0.59727140048233 0.90272859951767 0.42262527567866 18.998 > 10 77 F 0.09727140048233 0.40272859951767 0.92262527567866 18.998 > 10 78 F 0.59727140048233 0.40272859951767 0.92262527567866 18.998 > 10 79 F 0.09727140048233 0.90272859951767 0.92262527567866 18.998 > 10 80 F 0.59727140048233 0.90272859951767 0.92262527567866 18.998 > 10 81 F 0.15272859951767 0.15272859951767 0.17262527567866 18.998 > 11 82 F 0.65272859951767 0.15272859951767 0.17262527567866 18.998 > 11 83 F 0.15272859951767 0.65272859951767 0.17262527567866 18.998 > 11 84 F 0.65272859951767 0.65272859951767 0.17262527567866 18.998 > 11 85 F 0.15272859951767 0.15272859951767 0.67262527567866 18.998 > 11 86 F 0.65272859951767 0.15272859951767 0.67262527567866 18.998 > 11 87 F 0.15272859951767 0.65272859951767 0.67262527567866 18.998 > 11 88 F 0.65272859951767 0.65272859951767 0.67262527567866 18.998 > 11 89 F 0.34727140048233 0.34727140048233 0.17262527567866 18.998 > 12 90 F 0.84727140048233 0.34727140048233 0.17262527567866 18.998 > 12 91 F 0.34727140048233 0.84727140048233 0.17262527567866 18.998 > 12 92 F 0.84727140048233 0.84727140048233 0.17262527567866 18.998 > 12 93 F 0.34727140048233 0.34727140048233 0.67262527567866 18.998 > 12 94 F 0.84727140048233 0.34727140048233 0.67262527567866 18.998 > 12 95 F 0.34727140048233 0.84727140048233 0.67262527567866 18.998 > 12 96 F 0.84727140048233 0.84727140048233 0.67262527567866 18.998 > 12 97 F 0.40272859951767 0.09727140048233 0.42262527567866 18.998 > 13 98 F 0.90272859951767 0.09727140048233 0.42262527567866 18.998 > 13 99 F 0.40272859951767 0.59727140048233 0.42262527567866 18.998 > 13 100 F 0.90272859951767 0.59727140048233 0.42262527567866 18.998 > 13 101 F 0.40272859951767 0.09727140048233 0.92262527567866 18.998 > 13 102 F 0.90272859951767 0.09727140048233 0.92262527567866 18.998 > 13 103 F 0.40272859951767 0.59727140048233 0.92262527567866 18.998 > 13 104 F 0.90272859951767 0.59727140048233 0.92262527567866 18.998 > 13 105 F 0.40272859951767 0.09727140048233 0.07737472432134 18.998 > 14 106 F 0.90272859951767 0.09727140048233 0.07737472432134 18.998 > 14 107 F 0.40272859951767 0.59727140048233 0.07737472432134 18.998 > 14 108 F 0.90272859951767 0.59727140048233 0.07737472432134 18.998 > 14 109 F 0.40272859951767 0.09727140048233 0.57737472432134 18.998 > 14 110 F 0.90272859951767 0.09727140048233 0.57737472432134 18.998 > 14 111 F 0.40272859951767 0.59727140048233 0.57737472432134 18.998 > 14 112 F 0.90272859951767 0.59727140048233 0.57737472432134 18.998 > 14 113 F 0.09727140048233 0.40272859951767 0.07737472432134 18.998 > 15 114 F 0.59727140048233 0.40272859951767 0.07737472432134 18.998 > 15 115 F 0.09727140048233 0.90272859951767 0.07737472432134 18.998 > 15 116 F 0.59727140048233 0.90272859951767 0.07737472432134 18.998 > 15 117 F 0.09727140048233 0.40272859951767 0.57737472432134 18.998 > 15 118 F 0.59727140048233 0.40272859951767 0.57737472432134 18.998 > 15 119 F 0.09727140048233 0.90272859951767 0.57737472432134 18.998 > 15 120 F 0.59727140048233 0.90272859951767 0.57737472432134 18.998 > 15 121 F 0.15272859951767 0.15272859951767 0.32737472432134 18.998 > 16 122 F 0.65272859951767 0.15272859951767 0.32737472432134 18.998 > 16 123 F 0.15272859951767 0.65272859951767 0.32737472432134 18.998 > 16 124 F 0.65272859951767 0.65272859951767 0.32737472432134 18.998 > 16 125 F 0.15272859951767 0.15272859951767 0.82737472432134 18.998 > 16 126 F 0.65272859951767 0.15272859951767 0.82737472432134 18.998 > 16 127 F 0.15272859951767 0.65272859951767 0.82737472432134 18.998 > 16 128 F 0.65272859951767 0.65272859951767 0.82737472432134 18.998 > 16 *129 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 17 130 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 17 131 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 17 132 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 17 133 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 17 134 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 17 135 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 17 136 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 17 137 Ti 0.25000000000000 0.25000000000000 0.25000000000000 47.867 > 18 138 Ti 0.75000000000000 0.25000000000000 0.25000000000000 47.867 > 18 139 Ti 0.25000000000000 0.75000000000000 0.25000000000000 47.867 > 18 140 Ti 0.75000000000000 0.75000000000000 0.25000000000000 47.867 > 18 141 Ti 0.25000000000000 0.25000000000000 0.75000000000000 47.867 > 18 142 Ti 0.75000000000000 0.25000000000000 0.75000000000000 47.867 > 18 143 Ti 0.25000000000000 0.75000000000000 0.75000000000000 47.867 > 18 144 Ti 0.75000000000000 0.75000000000000 0.75000000000000 47.867 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4850445 0.0000000 0.0000000 0.0000000 2.4850445 0.0000000 0.0000000 0.0000000 2.5551913 -------------------------- Born effective charges -------------------------- 1 Li 1.1906562 0.0782544 0.0000000 0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 2 Li 1.1906562 -0.0782544 0.0000000 -0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 3 Li 1.1906562 -0.0782544 0.0000000 -0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 4 Li 1.1906562 0.0782544 0.0000000 0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 5 F -1.3864827 0.7244602 0.0000000 0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 6 F -0.9793145 -0.3559570 -0.4427137 -0.3559570 -0.9793145 -0.4427137 -0.4127096 -0.4127096 -1.4142618 7 F -1.3864827 -0.7244602 0.0000000 -0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 8 F -1.3864827 -0.7244602 0.0000000 -0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 9 F -1.3864827 0.7244602 0.0000000 0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 10 F -0.9793145 0.3559570 0.4427137 0.3559570 -0.9793145 -0.4427137 0.4127096 -0.4127096 -1.4142618 11 F -0.9793145 -0.3559570 -0.4427137 -0.3559570 -0.9793145 -0.4427137 -0.4127096 -0.4127096 -1.4142618 12 F -0.9793145 -0.3559570 0.4427137 -0.3559570 -0.9793145 0.4427137 0.4127096 0.4127096 -1.4142618 13 F -0.9793145 0.3559570 -0.4427137 0.3559570 -0.9793145 0.4427137 -0.4127096 0.4127096 -1.4142618 14 F -0.9793145 0.3559570 0.4427137 0.3559570 -0.9793145 -0.4427137 0.4127096 -0.4127096 -1.4142618 15 F -0.9793145 0.3559570 -0.4427137 0.3559570 -0.9793145 0.4427137 -0.4127096 0.4127096 -1.4142618 16 F -0.9793145 -0.3559570 0.4427137 -0.3559570 -0.9793145 0.4427137 0.4127096 0.4127096 -1.4142618 17 Ti 4.3089108 0.1630167 0.0000000 0.1630167 4.3089108 0.0000000 0.0000000 0.0000000 4.5209364 18 Ti 4.3089108 -0.1630167 0.0000000 -0.1630167 4.3089108 0.0000000 0.0000000 0.0000000 4.5209364 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 1.115 Solver_block: 160 / 160 - Time: 0.695 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.832 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:28:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:28:30]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.629367500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.629367500000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.894585259999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.33819202790468 6.941 2 Li 0.50000000000000 0.50000000000000 0.83819202790468 6.941 3 Li 0.50000000000000 0.50000000000000 0.16180797209532 6.941 4 Li 0.00000000000000 0.00000000000000 0.66180797209532 6.941 5 F 0.21249382778678 0.78750617221322 0.50000000000000 18.998 6 F 0.69454280096467 0.69454280096467 0.65474944864267 18.998 7 F 0.28750617221322 0.28750617221322 0.00000000000000 18.998 8 F 0.71249382778678 0.71249382778678 0.00000000000000 18.998 9 F 0.78750617221322 0.21249382778678 0.50000000000000 18.998 10 F 0.19454280096467 0.80545719903533 0.84525055135733 18.998 11 F 0.30545719903533 0.30545719903533 0.34525055135733 18.998 12 F 0.69454280096467 0.69454280096467 0.34525055135733 18.998 13 F 0.80545719903533 0.19454280096467 0.84525055135733 18.998 14 F 0.80545719903533 0.19454280096467 0.15474944864267 18.998 15 F 0.19454280096467 0.80545719903533 0.15474944864267 18.998 16 F 0.30545719903533 0.30545719903533 0.65474944864267 18.998 17 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 18 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.258735000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.258735000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.789170519999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.16909601395234 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.16909601395234 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.16909601395234 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.16909601395234 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.66909601395234 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.66909601395234 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.66909601395234 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.66909601395234 6.941 > 1 9 Li 0.25000000000000 0.25000000000000 0.41909601395234 6.941 > 9 10 Li 0.75000000000000 0.25000000000000 0.41909601395234 6.941 > 9 11 Li 0.25000000000000 0.75000000000000 0.41909601395234 6.941 > 9 12 Li 0.75000000000000 0.75000000000000 0.41909601395234 6.941 > 9 13 Li 0.25000000000000 0.25000000000000 0.91909601395234 6.941 > 9 14 Li 0.75000000000000 0.25000000000000 0.91909601395234 6.941 > 9 15 Li 0.25000000000000 0.75000000000000 0.91909601395234 6.941 > 9 16 Li 0.75000000000000 0.75000000000000 0.91909601395234 6.941 > 9 17 Li 0.25000000000000 0.25000000000000 0.08090398604766 6.941 > 17 18 Li 0.75000000000000 0.25000000000000 0.08090398604766 6.941 > 17 19 Li 0.25000000000000 0.75000000000000 0.08090398604766 6.941 > 17 20 Li 0.75000000000000 0.75000000000000 0.08090398604766 6.941 > 17 21 Li 0.25000000000000 0.25000000000000 0.58090398604766 6.941 > 17 22 Li 0.75000000000000 0.25000000000000 0.58090398604766 6.941 > 17 23 Li 0.25000000000000 0.75000000000000 0.58090398604766 6.941 > 17 24 Li 0.75000000000000 0.75000000000000 0.58090398604766 6.941 > 17 25 Li 0.00000000000000 0.00000000000000 0.33090398604766 6.941 > 25 26 Li 0.50000000000000 0.00000000000000 0.33090398604766 6.941 > 25 27 Li 0.00000000000000 0.50000000000000 0.33090398604766 6.941 > 25 28 Li 0.50000000000000 0.50000000000000 0.33090398604766 6.941 > 25 29 Li 0.00000000000000 0.00000000000000 0.83090398604766 6.941 > 25 30 Li 0.50000000000000 0.00000000000000 0.83090398604766 6.941 > 25 31 Li 0.00000000000000 0.50000000000000 0.83090398604766 6.941 > 25 32 Li 0.50000000000000 0.50000000000000 0.83090398604766 6.941 > 25 33 F 0.10624691389339 0.39375308610661 0.25000000000000 18.998 > 33 34 F 0.60624691389339 0.39375308610661 0.25000000000000 18.998 > 33 35 F 0.10624691389339 0.89375308610661 0.25000000000000 18.998 > 33 36 F 0.60624691389339 0.89375308610661 0.25000000000000 18.998 > 33 37 F 0.10624691389339 0.39375308610661 0.75000000000000 18.998 > 33 38 F 0.60624691389339 0.39375308610661 0.75000000000000 18.998 > 33 39 F 0.10624691389339 0.89375308610661 0.75000000000000 18.998 > 33 40 F 0.60624691389339 0.89375308610661 0.75000000000000 18.998 > 33 41 F 0.34727140048233 0.34727140048233 0.32737472432134 18.998 > 41 42 F 0.84727140048233 0.34727140048233 0.32737472432134 18.998 > 41 43 F 0.34727140048233 0.84727140048233 0.32737472432134 18.998 > 41 44 F 0.84727140048233 0.84727140048233 0.32737472432134 18.998 > 41 45 F 0.34727140048233 0.34727140048233 0.82737472432134 18.998 > 41 46 F 0.84727140048233 0.34727140048233 0.82737472432134 18.998 > 41 47 F 0.34727140048233 0.84727140048233 0.82737472432134 18.998 > 41 48 F 0.84727140048233 0.84727140048233 0.82737472432134 18.998 > 41 49 F 0.14375308610661 0.14375308610661 0.00000000000000 18.998 > 49 50 F 0.64375308610661 0.14375308610661 0.00000000000000 18.998 > 49 51 F 0.14375308610661 0.64375308610661 0.00000000000000 18.998 > 49 52 F 0.64375308610661 0.64375308610661 0.00000000000000 18.998 > 49 53 F 0.14375308610661 0.14375308610661 0.50000000000000 18.998 > 49 54 F 0.64375308610661 0.14375308610661 0.50000000000000 18.998 > 49 55 F 0.14375308610661 0.64375308610661 0.50000000000000 18.998 > 49 56 F 0.64375308610661 0.64375308610661 0.50000000000000 18.998 > 49 57 F 0.35624691389339 0.35624691389339 0.00000000000000 18.998 > 57 58 F 0.85624691389339 0.35624691389339 0.00000000000000 18.998 > 57 59 F 0.35624691389339 0.85624691389339 0.00000000000000 18.998 > 57 60 F 0.85624691389339 0.85624691389339 0.00000000000000 18.998 > 57 61 F 0.35624691389339 0.35624691389339 0.50000000000000 18.998 > 57 62 F 0.85624691389339 0.35624691389339 0.50000000000000 18.998 > 57 63 F 0.35624691389339 0.85624691389339 0.50000000000000 18.998 > 57 64 F 0.85624691389339 0.85624691389339 0.50000000000000 18.998 > 57 65 F 0.39375308610661 0.10624691389339 0.25000000000000 18.998 > 65 66 F 0.89375308610661 0.10624691389339 0.25000000000000 18.998 > 65 67 F 0.39375308610661 0.60624691389339 0.25000000000000 18.998 > 65 68 F 0.89375308610661 0.60624691389339 0.25000000000000 18.998 > 65 69 F 0.39375308610661 0.10624691389339 0.75000000000000 18.998 > 65 70 F 0.89375308610661 0.10624691389339 0.75000000000000 18.998 > 65 71 F 0.39375308610661 0.60624691389339 0.75000000000000 18.998 > 65 72 F 0.89375308610661 0.60624691389339 0.75000000000000 18.998 > 65 73 F 0.09727140048233 0.40272859951767 0.42262527567866 18.998 > 73 74 F 0.59727140048233 0.40272859951767 0.42262527567866 18.998 > 73 75 F 0.09727140048233 0.90272859951767 0.42262527567866 18.998 > 73 76 F 0.59727140048233 0.90272859951767 0.42262527567866 18.998 > 73 77 F 0.09727140048233 0.40272859951767 0.92262527567866 18.998 > 73 78 F 0.59727140048233 0.40272859951767 0.92262527567866 18.998 > 73 79 F 0.09727140048233 0.90272859951767 0.92262527567866 18.998 > 73 80 F 0.59727140048233 0.90272859951767 0.92262527567866 18.998 > 73 81 F 0.15272859951767 0.15272859951767 0.17262527567866 18.998 > 81 82 F 0.65272859951767 0.15272859951767 0.17262527567866 18.998 > 81 83 F 0.15272859951767 0.65272859951767 0.17262527567866 18.998 > 81 84 F 0.65272859951767 0.65272859951767 0.17262527567866 18.998 > 81 85 F 0.15272859951767 0.15272859951767 0.67262527567866 18.998 > 81 86 F 0.65272859951767 0.15272859951767 0.67262527567866 18.998 > 81 87 F 0.15272859951767 0.65272859951767 0.67262527567866 18.998 > 81 88 F 0.65272859951767 0.65272859951767 0.67262527567866 18.998 > 81 89 F 0.34727140048233 0.34727140048233 0.17262527567866 18.998 > 89 90 F 0.84727140048233 0.34727140048233 0.17262527567866 18.998 > 89 91 F 0.34727140048233 0.84727140048233 0.17262527567866 18.998 > 89 92 F 0.84727140048233 0.84727140048233 0.17262527567866 18.998 > 89 93 F 0.34727140048233 0.34727140048233 0.67262527567866 18.998 > 89 94 F 0.84727140048233 0.34727140048233 0.67262527567866 18.998 > 89 95 F 0.34727140048233 0.84727140048233 0.67262527567866 18.998 > 89 96 F 0.84727140048233 0.84727140048233 0.67262527567866 18.998 > 89 97 F 0.40272859951767 0.09727140048233 0.42262527567866 18.998 > 97 98 F 0.90272859951767 0.09727140048233 0.42262527567866 18.998 > 97 99 F 0.40272859951767 0.59727140048233 0.42262527567866 18.998 > 97 100 F 0.90272859951767 0.59727140048233 0.42262527567866 18.998 > 97 101 F 0.40272859951767 0.09727140048233 0.92262527567866 18.998 > 97 102 F 0.90272859951767 0.09727140048233 0.92262527567866 18.998 > 97 103 F 0.40272859951767 0.59727140048233 0.92262527567866 18.998 > 97 104 F 0.90272859951767 0.59727140048233 0.92262527567866 18.998 > 97 105 F 0.40272859951767 0.09727140048233 0.07737472432134 18.998 > 105 106 F 0.90272859951767 0.09727140048233 0.07737472432134 18.998 > 105 107 F 0.40272859951767 0.59727140048233 0.07737472432134 18.998 > 105 108 F 0.90272859951767 0.59727140048233 0.07737472432134 18.998 > 105 109 F 0.40272859951767 0.09727140048233 0.57737472432134 18.998 > 105 110 F 0.90272859951767 0.09727140048233 0.57737472432134 18.998 > 105 111 F 0.40272859951767 0.59727140048233 0.57737472432134 18.998 > 105 112 F 0.90272859951767 0.59727140048233 0.57737472432134 18.998 > 105 113 F 0.09727140048233 0.40272859951767 0.07737472432134 18.998 > 113 114 F 0.59727140048233 0.40272859951767 0.07737472432134 18.998 > 113 115 F 0.09727140048233 0.90272859951767 0.07737472432134 18.998 > 113 116 F 0.59727140048233 0.90272859951767 0.07737472432134 18.998 > 113 117 F 0.09727140048233 0.40272859951767 0.57737472432134 18.998 > 113 118 F 0.59727140048233 0.40272859951767 0.57737472432134 18.998 > 113 119 F 0.09727140048233 0.90272859951767 0.57737472432134 18.998 > 113 120 F 0.59727140048233 0.90272859951767 0.57737472432134 18.998 > 113 121 F 0.15272859951767 0.15272859951767 0.32737472432134 18.998 > 121 122 F 0.65272859951767 0.15272859951767 0.32737472432134 18.998 > 121 123 F 0.15272859951767 0.65272859951767 0.32737472432134 18.998 > 121 124 F 0.65272859951767 0.65272859951767 0.32737472432134 18.998 > 121 125 F 0.15272859951767 0.15272859951767 0.82737472432134 18.998 > 121 126 F 0.65272859951767 0.15272859951767 0.82737472432134 18.998 > 121 127 F 0.15272859951767 0.65272859951767 0.82737472432134 18.998 > 121 128 F 0.65272859951767 0.65272859951767 0.82737472432134 18.998 > 121 129 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 129 130 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 129 131 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 129 132 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 129 133 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 129 134 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 129 135 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 129 136 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 129 137 Ti 0.25000000000000 0.25000000000000 0.25000000000000 47.867 > 137 138 Ti 0.75000000000000 0.25000000000000 0.25000000000000 47.867 > 137 139 Ti 0.25000000000000 0.75000000000000 0.25000000000000 47.867 > 137 140 Ti 0.75000000000000 0.75000000000000 0.25000000000000 47.867 > 137 141 Ti 0.25000000000000 0.25000000000000 0.75000000000000 47.867 > 137 142 Ti 0.75000000000000 0.25000000000000 0.75000000000000 47.867 > 137 143 Ti 0.25000000000000 0.75000000000000 0.75000000000000 47.867 > 137 144 Ti 0.75000000000000 0.75000000000000 0.75000000000000 47.867 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4850445 0.0000000 0.0000000 0.0000000 2.4850445 0.0000000 0.0000000 0.0000000 2.5551913 -------------------------- Born effective charges -------------------------- 1 Li 1.1906562 0.0782544 0.0000000 0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 2 Li 1.1906562 -0.0782544 0.0000000 -0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 3 Li 1.1906562 -0.0782544 0.0000000 -0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 4 Li 1.1906562 0.0782544 0.0000000 0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 5 F -1.3864827 0.7244602 0.0000000 0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 6 F -0.9793145 -0.3559570 -0.4427137 -0.3559570 -0.9793145 -0.4427137 -0.4127096 -0.4127096 -1.4142618 7 F -1.3864827 -0.7244602 0.0000000 -0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 8 F -1.3864827 -0.7244602 0.0000000 -0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 9 F -1.3864827 0.7244602 0.0000000 0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 10 F -0.9793145 0.3559570 0.4427137 0.3559570 -0.9793145 -0.4427137 0.4127096 -0.4127096 -1.4142618 11 F -0.9793145 -0.3559570 -0.4427137 -0.3559570 -0.9793145 -0.4427137 -0.4127096 -0.4127096 -1.4142618 12 F -0.9793145 -0.3559570 0.4427137 -0.3559570 -0.9793145 0.4427137 0.4127096 0.4127096 -1.4142618 13 F -0.9793145 0.3559570 -0.4427137 0.3559570 -0.9793145 0.4427137 -0.4127096 0.4127096 -1.4142618 14 F -0.9793145 0.3559570 0.4427137 0.3559570 -0.9793145 -0.4427137 0.4127096 -0.4127096 -1.4142618 15 F -0.9793145 0.3559570 -0.4427137 0.3559570 -0.9793145 0.4427137 -0.4127096 0.4127096 -1.4142618 16 F -0.9793145 -0.3559570 0.4427137 -0.3559570 -0.9793145 0.4427137 0.4127096 0.4127096 -1.4142618 17 Ti 4.3089108 0.1630167 0.0000000 0.1630167 4.3089108 0.0000000 0.0000000 0.0000000 4.5209364 18 Ti 4.3089108 -0.1630167 0.0000000 -0.1630167 4.3089108 0.0000000 0.0000000 0.0000000 4.5209364 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:28:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:28:45]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.629367500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.629367500000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.894585259999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.33819202790468 6.941 2 Li 0.50000000000000 0.50000000000000 0.83819202790468 6.941 3 Li 0.50000000000000 0.50000000000000 0.16180797209532 6.941 4 Li 0.00000000000000 0.00000000000000 0.66180797209532 6.941 5 F 0.21249382778678 0.78750617221322 0.50000000000000 18.998 6 F 0.69454280096467 0.69454280096467 0.65474944864267 18.998 7 F 0.28750617221322 0.28750617221322 0.00000000000000 18.998 8 F 0.71249382778678 0.71249382778678 0.00000000000000 18.998 9 F 0.78750617221322 0.21249382778678 0.50000000000000 18.998 10 F 0.19454280096467 0.80545719903533 0.84525055135733 18.998 11 F 0.30545719903533 0.30545719903533 0.34525055135733 18.998 12 F 0.69454280096467 0.69454280096467 0.34525055135733 18.998 13 F 0.80545719903533 0.19454280096467 0.84525055135733 18.998 14 F 0.80545719903533 0.19454280096467 0.15474944864267 18.998 15 F 0.19454280096467 0.80545719903533 0.15474944864267 18.998 16 F 0.30545719903533 0.30545719903533 0.65474944864267 18.998 17 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 18 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.258735000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.258735000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.789170519999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.16909601395234 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.16909601395234 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.16909601395234 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.16909601395234 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.66909601395234 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.66909601395234 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.66909601395234 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.66909601395234 6.941 > 1 9 Li 0.25000000000000 0.25000000000000 0.41909601395234 6.941 > 9 10 Li 0.75000000000000 0.25000000000000 0.41909601395234 6.941 > 9 11 Li 0.25000000000000 0.75000000000000 0.41909601395234 6.941 > 9 12 Li 0.75000000000000 0.75000000000000 0.41909601395234 6.941 > 9 13 Li 0.25000000000000 0.25000000000000 0.91909601395234 6.941 > 9 14 Li 0.75000000000000 0.25000000000000 0.91909601395234 6.941 > 9 15 Li 0.25000000000000 0.75000000000000 0.91909601395234 6.941 > 9 16 Li 0.75000000000000 0.75000000000000 0.91909601395234 6.941 > 9 17 Li 0.25000000000000 0.25000000000000 0.08090398604766 6.941 > 17 18 Li 0.75000000000000 0.25000000000000 0.08090398604766 6.941 > 17 19 Li 0.25000000000000 0.75000000000000 0.08090398604766 6.941 > 17 20 Li 0.75000000000000 0.75000000000000 0.08090398604766 6.941 > 17 21 Li 0.25000000000000 0.25000000000000 0.58090398604766 6.941 > 17 22 Li 0.75000000000000 0.25000000000000 0.58090398604766 6.941 > 17 23 Li 0.25000000000000 0.75000000000000 0.58090398604766 6.941 > 17 24 Li 0.75000000000000 0.75000000000000 0.58090398604766 6.941 > 17 25 Li 0.00000000000000 0.00000000000000 0.33090398604766 6.941 > 25 26 Li 0.50000000000000 0.00000000000000 0.33090398604766 6.941 > 25 27 Li 0.00000000000000 0.50000000000000 0.33090398604766 6.941 > 25 28 Li 0.50000000000000 0.50000000000000 0.33090398604766 6.941 > 25 29 Li 0.00000000000000 0.00000000000000 0.83090398604766 6.941 > 25 30 Li 0.50000000000000 0.00000000000000 0.83090398604766 6.941 > 25 31 Li 0.00000000000000 0.50000000000000 0.83090398604766 6.941 > 25 32 Li 0.50000000000000 0.50000000000000 0.83090398604766 6.941 > 25 33 F 0.10624691389339 0.39375308610661 0.25000000000000 18.998 > 33 34 F 0.60624691389339 0.39375308610661 0.25000000000000 18.998 > 33 35 F 0.10624691389339 0.89375308610661 0.25000000000000 18.998 > 33 36 F 0.60624691389339 0.89375308610661 0.25000000000000 18.998 > 33 37 F 0.10624691389339 0.39375308610661 0.75000000000000 18.998 > 33 38 F 0.60624691389339 0.39375308610661 0.75000000000000 18.998 > 33 39 F 0.10624691389339 0.89375308610661 0.75000000000000 18.998 > 33 40 F 0.60624691389339 0.89375308610661 0.75000000000000 18.998 > 33 41 F 0.34727140048233 0.34727140048233 0.32737472432134 18.998 > 41 42 F 0.84727140048233 0.34727140048233 0.32737472432134 18.998 > 41 43 F 0.34727140048233 0.84727140048233 0.32737472432134 18.998 > 41 44 F 0.84727140048233 0.84727140048233 0.32737472432134 18.998 > 41 45 F 0.34727140048233 0.34727140048233 0.82737472432134 18.998 > 41 46 F 0.84727140048233 0.34727140048233 0.82737472432134 18.998 > 41 47 F 0.34727140048233 0.84727140048233 0.82737472432134 18.998 > 41 48 F 0.84727140048233 0.84727140048233 0.82737472432134 18.998 > 41 49 F 0.14375308610661 0.14375308610661 0.00000000000000 18.998 > 49 50 F 0.64375308610661 0.14375308610661 0.00000000000000 18.998 > 49 51 F 0.14375308610661 0.64375308610661 0.00000000000000 18.998 > 49 52 F 0.64375308610661 0.64375308610661 0.00000000000000 18.998 > 49 53 F 0.14375308610661 0.14375308610661 0.50000000000000 18.998 > 49 54 F 0.64375308610661 0.14375308610661 0.50000000000000 18.998 > 49 55 F 0.14375308610661 0.64375308610661 0.50000000000000 18.998 > 49 56 F 0.64375308610661 0.64375308610661 0.50000000000000 18.998 > 49 57 F 0.35624691389339 0.35624691389339 0.00000000000000 18.998 > 57 58 F 0.85624691389339 0.35624691389339 0.00000000000000 18.998 > 57 59 F 0.35624691389339 0.85624691389339 0.00000000000000 18.998 > 57 60 F 0.85624691389339 0.85624691389339 0.00000000000000 18.998 > 57 61 F 0.35624691389339 0.35624691389339 0.50000000000000 18.998 > 57 62 F 0.85624691389339 0.35624691389339 0.50000000000000 18.998 > 57 63 F 0.35624691389339 0.85624691389339 0.50000000000000 18.998 > 57 64 F 0.85624691389339 0.85624691389339 0.50000000000000 18.998 > 57 65 F 0.39375308610661 0.10624691389339 0.25000000000000 18.998 > 65 66 F 0.89375308610661 0.10624691389339 0.25000000000000 18.998 > 65 67 F 0.39375308610661 0.60624691389339 0.25000000000000 18.998 > 65 68 F 0.89375308610661 0.60624691389339 0.25000000000000 18.998 > 65 69 F 0.39375308610661 0.10624691389339 0.75000000000000 18.998 > 65 70 F 0.89375308610661 0.10624691389339 0.75000000000000 18.998 > 65 71 F 0.39375308610661 0.60624691389339 0.75000000000000 18.998 > 65 72 F 0.89375308610661 0.60624691389339 0.75000000000000 18.998 > 65 73 F 0.09727140048233 0.40272859951767 0.42262527567866 18.998 > 73 74 F 0.59727140048233 0.40272859951767 0.42262527567866 18.998 > 73 75 F 0.09727140048233 0.90272859951767 0.42262527567866 18.998 > 73 76 F 0.59727140048233 0.90272859951767 0.42262527567866 18.998 > 73 77 F 0.09727140048233 0.40272859951767 0.92262527567866 18.998 > 73 78 F 0.59727140048233 0.40272859951767 0.92262527567866 18.998 > 73 79 F 0.09727140048233 0.90272859951767 0.92262527567866 18.998 > 73 80 F 0.59727140048233 0.90272859951767 0.92262527567866 18.998 > 73 81 F 0.15272859951767 0.15272859951767 0.17262527567866 18.998 > 81 82 F 0.65272859951767 0.15272859951767 0.17262527567866 18.998 > 81 83 F 0.15272859951767 0.65272859951767 0.17262527567866 18.998 > 81 84 F 0.65272859951767 0.65272859951767 0.17262527567866 18.998 > 81 85 F 0.15272859951767 0.15272859951767 0.67262527567866 18.998 > 81 86 F 0.65272859951767 0.15272859951767 0.67262527567866 18.998 > 81 87 F 0.15272859951767 0.65272859951767 0.67262527567866 18.998 > 81 88 F 0.65272859951767 0.65272859951767 0.67262527567866 18.998 > 81 89 F 0.34727140048233 0.34727140048233 0.17262527567866 18.998 > 89 90 F 0.84727140048233 0.34727140048233 0.17262527567866 18.998 > 89 91 F 0.34727140048233 0.84727140048233 0.17262527567866 18.998 > 89 92 F 0.84727140048233 0.84727140048233 0.17262527567866 18.998 > 89 93 F 0.34727140048233 0.34727140048233 0.67262527567866 18.998 > 89 94 F 0.84727140048233 0.34727140048233 0.67262527567866 18.998 > 89 95 F 0.34727140048233 0.84727140048233 0.67262527567866 18.998 > 89 96 F 0.84727140048233 0.84727140048233 0.67262527567866 18.998 > 89 97 F 0.40272859951767 0.09727140048233 0.42262527567866 18.998 > 97 98 F 0.90272859951767 0.09727140048233 0.42262527567866 18.998 > 97 99 F 0.40272859951767 0.59727140048233 0.42262527567866 18.998 > 97 100 F 0.90272859951767 0.59727140048233 0.42262527567866 18.998 > 97 101 F 0.40272859951767 0.09727140048233 0.92262527567866 18.998 > 97 102 F 0.90272859951767 0.09727140048233 0.92262527567866 18.998 > 97 103 F 0.40272859951767 0.59727140048233 0.92262527567866 18.998 > 97 104 F 0.90272859951767 0.59727140048233 0.92262527567866 18.998 > 97 105 F 0.40272859951767 0.09727140048233 0.07737472432134 18.998 > 105 106 F 0.90272859951767 0.09727140048233 0.07737472432134 18.998 > 105 107 F 0.40272859951767 0.59727140048233 0.07737472432134 18.998 > 105 108 F 0.90272859951767 0.59727140048233 0.07737472432134 18.998 > 105 109 F 0.40272859951767 0.09727140048233 0.57737472432134 18.998 > 105 110 F 0.90272859951767 0.09727140048233 0.57737472432134 18.998 > 105 111 F 0.40272859951767 0.59727140048233 0.57737472432134 18.998 > 105 112 F 0.90272859951767 0.59727140048233 0.57737472432134 18.998 > 105 113 F 0.09727140048233 0.40272859951767 0.07737472432134 18.998 > 113 114 F 0.59727140048233 0.40272859951767 0.07737472432134 18.998 > 113 115 F 0.09727140048233 0.90272859951767 0.07737472432134 18.998 > 113 116 F 0.59727140048233 0.90272859951767 0.07737472432134 18.998 > 113 117 F 0.09727140048233 0.40272859951767 0.57737472432134 18.998 > 113 118 F 0.59727140048233 0.40272859951767 0.57737472432134 18.998 > 113 119 F 0.09727140048233 0.90272859951767 0.57737472432134 18.998 > 113 120 F 0.59727140048233 0.90272859951767 0.57737472432134 18.998 > 113 121 F 0.15272859951767 0.15272859951767 0.32737472432134 18.998 > 121 122 F 0.65272859951767 0.15272859951767 0.32737472432134 18.998 > 121 123 F 0.15272859951767 0.65272859951767 0.32737472432134 18.998 > 121 124 F 0.65272859951767 0.65272859951767 0.32737472432134 18.998 > 121 125 F 0.15272859951767 0.15272859951767 0.82737472432134 18.998 > 121 126 F 0.65272859951767 0.15272859951767 0.82737472432134 18.998 > 121 127 F 0.15272859951767 0.65272859951767 0.82737472432134 18.998 > 121 128 F 0.65272859951767 0.65272859951767 0.82737472432134 18.998 > 121 129 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 129 130 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 129 131 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 129 132 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 129 133 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 129 134 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 129 135 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 129 136 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 129 137 Ti 0.25000000000000 0.25000000000000 0.25000000000000 47.867 > 137 138 Ti 0.75000000000000 0.25000000000000 0.25000000000000 47.867 > 137 139 Ti 0.25000000000000 0.75000000000000 0.25000000000000 47.867 > 137 140 Ti 0.75000000000000 0.75000000000000 0.25000000000000 47.867 > 137 141 Ti 0.25000000000000 0.25000000000000 0.75000000000000 47.867 > 137 142 Ti 0.75000000000000 0.25000000000000 0.75000000000000 47.867 > 137 143 Ti 0.25000000000000 0.75000000000000 0.75000000000000 47.867 > 137 144 Ti 0.75000000000000 0.75000000000000 0.75000000000000 47.867 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4850445 0.0000000 0.0000000 0.0000000 2.4850445 0.0000000 0.0000000 0.0000000 2.5551913 -------------------------- Born effective charges -------------------------- 1 Li 1.1906562 0.0782544 0.0000000 0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 2 Li 1.1906562 -0.0782544 0.0000000 -0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 3 Li 1.1906562 -0.0782544 0.0000000 -0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 4 Li 1.1906562 0.0782544 0.0000000 0.0782544 1.1906562 0.0000000 0.0000000 0.0000000 1.2454939 5 F -1.3864827 0.7244602 0.0000000 0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 6 F -0.9793145 -0.3559570 -0.4427137 -0.3559570 -0.9793145 -0.4427137 -0.4127096 -0.4127096 -1.4142618 7 F -1.3864827 -0.7244602 0.0000000 -0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 8 F -1.3864827 -0.7244602 0.0000000 -0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 9 F -1.3864827 0.7244602 0.0000000 0.7244602 -1.3864827 0.0000000 0.0000000 0.0000000 -0.6774385 10 F -0.9793145 0.3559570 0.4427137 0.3559570 -0.9793145 -0.4427137 0.4127096 -0.4127096 -1.4142618 11 F -0.9793145 -0.3559570 -0.4427137 -0.3559570 -0.9793145 -0.4427137 -0.4127096 -0.4127096 -1.4142618 12 F -0.9793145 -0.3559570 0.4427137 -0.3559570 -0.9793145 0.4427137 0.4127096 0.4127096 -1.4142618 13 F -0.9793145 0.3559570 -0.4427137 0.3559570 -0.9793145 0.4427137 -0.4127096 0.4127096 -1.4142618 14 F -0.9793145 0.3559570 0.4427137 0.3559570 -0.9793145 -0.4427137 0.4127096 -0.4127096 -1.4142618 15 F -0.9793145 0.3559570 -0.4427137 0.3559570 -0.9793145 0.4427137 -0.4127096 0.4127096 -1.4142618 16 F -0.9793145 -0.3559570 0.4427137 -0.3559570 -0.9793145 0.4427137 0.4127096 0.4127096 -1.4142618 17 Ti 4.3089108 0.1630167 0.0000000 0.1630167 4.3089108 0.0000000 0.0000000 0.0000000 4.5209364 18 Ti 4.3089108 -0.1630167 0.0000000 -0.1630167 4.3089108 0.0000000 0.0000000 0.0000000 4.5209364 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 6 ] 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: 0.72, Number of G-points: 313, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 9.505 ( 0.000 0.000 0.000) 0.000 9.505 ( 0.000 0.000 0.000) 0.000 9.727 ( 0.000 0.000 0.000) 0.000 9.727 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 13.159 ( 0.000 0.000 0.000) 0.000 14.361 ( 0.000 0.000 0.000) 0.000 14.361 ( 0.000 0.000 0.000) 0.000 14.593 ( 0.000 0.000 0.000) 0.000 15.589 ( 0.000 0.000 0.000) 0.000 15.748 ( 0.000 0.000 0.000) 0.000 15.748 ( 0.000 0.000 0.000) 0.000 16.774 ( 0.000 0.000 0.000) 0.000 17.234 ( 0.000 0.000 0.000) 0.000 17.234 ( 0.000 0.000 0.000) 0.000 18.049 ( 0.000 0.000 0.000) 0.000 18.402 ( 0.000 0.000 0.000) 0.000 21.023 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 31.998 0.000 0.000) 31.998 0.775 ( 38.261 0.000 0.000) 38.261 1.039 ( 51.479 0.000 0.000) 51.479 2.210 ( 13.859 0.000 0.000) 13.859 2.624 ( 7.976 0.000 0.000) 7.976 2.703 ( 15.501 0.000 0.000) 15.501 3.336 ( 1.199 0.000 0.000) 1.199 4.033 ( -12.771 0.000 0.000) 12.771 4.289 ( 4.557 0.000 0.000) 4.557 4.370 ( 0.629 0.000 0.000) 0.629 4.678 ( -5.899 0.000 0.000) 5.899 5.149 ( -7.654 0.000 0.000) 7.654 5.319 ( 7.849 0.000 0.000) 7.849 6.067 ( -6.701 0.000 0.000) 6.701 6.242 ( 3.015 0.000 0.000) 3.015 6.286 ( 12.547 0.000 0.000) 12.547 6.395 ( 1.339 0.000 0.000) 1.339 6.563 ( -5.247 0.000 0.000) 5.247 6.567 ( -9.442 0.000 0.000) 9.442 7.084 ( 4.262 0.000 0.000) 4.262 7.169 ( -3.056 0.000 0.000) 3.056 7.218 ( 0.927 0.000 0.000) 0.927 7.680 ( 1.189 0.000 0.000) 1.189 7.857 ( -2.744 0.000 0.000) 2.744 8.159 ( -9.051 0.000 0.000) 9.051 8.424 ( -10.184 0.000 0.000) 10.184 8.530 ( -0.109 0.000 0.000) 0.109 8.607 ( 3.508 0.000 0.000) 3.508 8.672 ( 0.817 0.000 0.000) 0.817 8.848 ( -7.952 0.000 0.000) 7.952 9.041 ( -8.673 0.000 0.000) 8.673 9.078 ( -3.833 0.000 0.000) 3.833 9.388 ( 7.611 0.000 0.000) 7.611 9.459 ( -3.497 0.000 0.000) 3.497 9.502 ( 0.138 0.000 0.000) 0.138 9.523 ( 3.393 0.000 0.000) 3.393 9.818 ( 8.464 0.000 0.000) 8.464 10.705 ( 7.553 0.000 0.000) 7.553 10.833 ( 7.467 0.000 0.000) 7.467 11.248 ( -14.744 0.000 0.000) 14.744 11.990 ( 11.520 0.000 0.000) 11.520 13.144 ( -1.617 0.000 0.000) 1.617 14.362 ( 0.202 0.000 0.000) 0.202 14.378 ( 1.723 0.000 0.000) 1.723 14.598 ( 0.300 0.000 0.000) 0.300 14.966 ( -36.686 0.000 0.000) 36.686 16.131 ( 13.918 0.000 0.000) 13.918 16.844 ( 7.057 0.000 0.000) 7.057 17.003 ( -5.274 0.000 0.000) 5.274 17.484 ( 24.097 0.000 0.000) 24.097 18.059 ( 1.028 0.000 0.000) 1.028 18.390 ( -1.098 0.000 0.000) 1.098 20.866 ( -2.830 0.000 0.000) 2.830 20.897 ( -12.621 0.000 0.000) 12.621 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 30.663 0.000 0.000) 30.663 1.483 ( 33.503 0.000 0.000) 33.503 1.981 ( 42.866 0.000 0.000) 42.866 2.593 ( 24.572 0.000 0.000) 24.572 2.838 ( 13.637 0.000 0.000) 13.637 3.098 ( 23.243 0.000 0.000) 23.243 3.380 ( 3.372 0.000 0.000) 3.372 3.785 ( -11.691 0.000 0.000) 11.691 4.250 ( -11.666 0.000 0.000) 11.666 4.418 ( 8.328 0.000 0.000) 8.328 4.613 ( -1.007 0.000 0.000) 1.007 4.938 ( -13.356 0.000 0.000) 13.356 5.484 ( 8.143 0.000 0.000) 8.143 5.874 ( -12.537 0.000 0.000) 12.537 6.237 ( -11.281 0.000 0.000) 11.281 6.408 ( -10.310 0.000 0.000) 10.310 6.411 ( 2.082 0.000 0.000) 2.082 6.424 ( 1.423 0.000 0.000) 1.423 6.618 ( 20.185 0.000 0.000) 20.185 7.113 ( -2.327 0.000 0.000) 2.327 7.203 ( 7.594 0.000 0.000) 7.594 7.224 ( -0.884 0.000 0.000) 0.884 7.655 ( -4.977 0.000 0.000) 4.977 7.779 ( -5.150 0.000 0.000) 5.150 7.987 ( -7.387 0.000 0.000) 7.387 8.203 ( -10.882 0.000 0.000) 10.882 8.514 ( -1.715 0.000 0.000) 1.715 8.634 ( -0.783 0.000 0.000) 0.783 8.638 ( -13.360 0.000 0.000) 13.360 8.674 ( -0.265 0.000 0.000) 0.265 8.869 ( -8.233 0.000 0.000) 8.233 8.996 ( -4.292 0.000 0.000) 4.292 9.418 ( -0.008 0.000 0.000) 0.008 9.521 ( 1.702 0.000 0.000) 1.702 9.532 ( 6.567 0.000 0.000) 6.567 9.585 ( 2.377 0.000 0.000) 2.377 10.026 ( 12.087 0.000 0.000) 12.087 10.884 ( 9.838 0.000 0.000) 9.838 10.968 ( -12.717 0.000 0.000) 12.717 11.003 ( 8.899 0.000 0.000) 8.899 12.191 ( 8.381 0.000 0.000) 8.381 13.078 ( -5.935 0.000 0.000) 5.935 14.297 ( -29.294 0.000 0.000) 29.294 14.371 ( 0.756 0.000 0.000) 0.756 14.422 ( 2.567 0.000 0.000) 2.567 14.592 ( -1.332 0.000 0.000) 1.332 16.282 ( 3.378 0.000 0.000) 3.378 16.861 ( -8.757 0.000 0.000) 8.757 17.047 ( 13.399 0.000 0.000) 13.399 18.064 ( 31.161 0.000 0.000) 31.161 18.089 ( 1.942 0.000 0.000) 1.942 18.371 ( 0.358 0.000 0.000) 0.358 20.545 ( -22.647 0.000 0.000) 22.647 20.783 ( -5.704 0.000 0.000) 5.704 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 28.444 0.000 0.000) 28.444 2.081 ( 27.239 0.000 0.000) 27.239 2.653 ( 24.598 0.000 0.000) 24.598 3.058 ( 18.851 0.000 0.000) 18.851 3.248 ( 30.527 0.000 0.000) 30.527 3.470 ( 5.935 0.000 0.000) 5.935 3.564 ( 22.868 0.000 0.000) 22.868 3.602 ( -6.394 0.000 0.000) 6.394 3.974 ( -15.604 0.000 0.000) 15.604 4.574 ( -1.107 0.000 0.000) 1.107 4.605 ( 0.024 0.000 0.000) 0.024 4.673 ( -4.931 0.000 0.000) 4.931 5.598 ( -14.768 0.000 0.000) 14.768 5.615 ( 4.640 0.000 0.000) 4.640 5.913 ( -18.022 0.000 0.000) 18.022 6.163 ( -14.265 0.000 0.000) 14.265 6.449 ( 1.355 0.000 0.000) 1.355 6.570 ( 11.271 0.000 0.000) 11.271 7.046 ( 22.628 0.000 0.000) 22.628 7.074 ( -1.980 0.000 0.000) 1.980 7.170 ( -4.393 0.000 0.000) 4.393 7.367 ( 8.626 0.000 0.000) 8.626 7.464 ( -13.569 0.000 0.000) 13.569 7.666 ( -5.903 0.000 0.000) 5.903 7.895 ( -1.969 0.000 0.000) 1.969 8.041 ( -5.445 0.000 0.000) 5.445 8.330 ( -17.755 0.000 0.000) 17.755 8.461 ( -3.614 0.000 0.000) 3.614 8.601 ( -1.766 0.000 0.000) 1.766 8.669 ( -0.231 0.000 0.000) 0.231 8.721 ( -7.066 0.000 0.000) 7.066 8.901 ( -5.837 0.000 0.000) 5.837 9.453 ( 3.059 0.000 0.000) 3.059 9.560 ( 2.031 0.000 0.000) 2.031 9.610 ( 0.373 0.000 0.000) 0.373 9.635 ( 3.751 0.000 0.000) 3.751 10.271 ( 12.319 0.000 0.000) 12.319 10.772 ( -7.006 0.000 0.000) 7.006 11.068 ( 8.541 0.000 0.000) 8.541 11.161 ( 6.901 0.000 0.000) 6.901 12.313 ( 4.117 0.000 0.000) 4.117 12.883 ( -13.675 0.000 0.000) 13.675 13.888 ( -11.581 0.000 0.000) 11.581 14.394 ( 1.562 0.000 0.000) 1.562 14.471 ( 2.159 0.000 0.000) 2.159 14.529 ( -5.473 0.000 0.000) 5.473 16.314 ( 0.582 0.000 0.000) 0.582 16.679 ( -9.246 0.000 0.000) 9.246 17.364 ( 18.782 0.000 0.000) 18.782 18.133 ( 2.464 0.000 0.000) 2.464 18.300 ( -0.827 0.000 0.000) 0.827 18.747 ( 30.818 0.000 0.000) 30.818 20.033 ( -28.719 0.000 0.000) 28.719 20.641 ( -8.746 0.000 0.000) 8.746 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 25.562 0.000 0.000) 25.562 2.548 ( 20.084 0.000 0.000) 20.084 2.959 ( 7.893 0.000 0.000) 7.893 3.423 ( 17.860 0.000 0.000) 17.860 3.529 ( -4.046 0.000 0.000) 4.046 3.601 ( 7.043 0.000 0.000) 7.043 3.672 ( -11.698 0.000 0.000) 11.698 3.832 ( 25.320 0.000 0.000) 25.320 3.962 ( 16.795 0.000 0.000) 16.795 4.284 ( -17.319 0.000 0.000) 17.319 4.623 ( 2.124 0.000 0.000) 2.124 4.820 ( 7.478 0.000 0.000) 7.478 5.342 ( -9.319 0.000 0.000) 9.319 5.593 ( -13.106 0.000 0.000) 13.106 5.640 ( -2.591 0.000 0.000) 2.591 5.864 ( -15.606 0.000 0.000) 15.606 6.495 ( 3.950 0.000 0.000) 3.950 6.832 ( 15.273 0.000 0.000) 15.273 7.014 ( -5.463 0.000 0.000) 5.463 7.082 ( -3.689 0.000 0.000) 3.689 7.190 ( -11.985 0.000 0.000) 11.985 7.458 ( 14.432 0.000 0.000) 14.432 7.546 ( 13.476 0.000 0.000) 13.476 7.570 ( -3.205 0.000 0.000) 3.205 7.889 ( 0.786 0.000 0.000) 0.786 7.954 ( -20.180 0.000 0.000) 20.180 7.968 ( -2.470 0.000 0.000) 2.470 8.371 ( -5.744 0.000 0.000) 5.744 8.585 ( 0.190 0.000 0.000) 0.190 8.591 ( -5.819 0.000 0.000) 5.819 8.661 ( -0.751 0.000 0.000) 0.751 8.753 ( -9.078 0.000 0.000) 9.078 9.518 ( 3.234 0.000 0.000) 3.234 9.592 ( 1.053 0.000 0.000) 1.053 9.615 ( 0.550 0.000 0.000) 0.550 9.677 ( 0.635 0.000 0.000) 0.635 10.486 ( 9.026 0.000 0.000) 9.026 10.686 ( -2.277 0.000 0.000) 2.277 11.210 ( 5.796 0.000 0.000) 5.796 11.267 ( 3.876 0.000 0.000) 3.876 12.361 ( 1.116 0.000 0.000) 1.116 12.605 ( -12.612 0.000 0.000) 12.612 13.811 ( 2.218 0.000 0.000) 2.218 14.373 ( -10.169 0.000 0.000) 10.169 14.431 ( 2.122 0.000 0.000) 2.122 14.501 ( 0.789 0.000 0.000) 0.789 16.323 ( 0.572 0.000 0.000) 0.572 16.516 ( -7.131 0.000 0.000) 7.131 17.779 ( 23.351 0.000 0.000) 23.351 18.181 ( 2.351 0.000 0.000) 2.351 18.276 ( -1.267 0.000 0.000) 1.267 19.318 ( 26.710 0.000 0.000) 26.710 19.442 ( -30.877 0.000 0.000) 30.877 20.436 ( -12.196 0.000 0.000) 12.196 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 22.473 0.000 0.000) 22.473 2.863 ( 11.815 0.000 0.000) 11.815 3.006 ( -2.646 0.000 0.000) 2.646 3.247 ( -19.357 0.000 0.000) 19.357 3.689 ( 7.735 0.000 0.000) 7.735 3.708 ( 9.509 0.000 0.000) 9.509 3.718 ( 3.702 0.000 0.000) 3.702 3.958 ( -15.273 0.000 0.000) 15.273 4.173 ( 8.851 0.000 0.000) 8.851 4.193 ( 6.067 0.000 0.000) 6.067 4.699 ( 5.735 0.000 0.000) 5.735 4.829 ( -5.941 0.000 0.000) 5.941 5.332 ( 7.620 0.000 0.000) 7.620 5.455 ( -0.033 0.000 0.000) 0.033 5.518 ( -9.136 0.000 0.000) 9.136 5.583 ( -11.838 0.000 0.000) 11.838 6.618 ( 8.557 0.000 0.000) 8.557 6.823 ( -11.727 0.000 0.000) 11.727 7.041 ( -0.433 0.000 0.000) 0.433 7.062 ( -2.643 0.000 0.000) 2.643 7.164 ( 18.461 0.000 0.000) 18.461 7.547 ( -18.157 0.000 0.000) 18.157 7.550 ( 0.762 0.000 0.000) 0.762 7.563 ( -1.397 0.000 0.000) 1.397 7.909 ( 1.111 0.000 0.000) 1.111 7.914 ( 18.403 0.000 0.000) 18.403 7.933 ( -1.359 0.000 0.000) 1.359 8.213 ( -11.337 0.000 0.000) 11.337 8.518 ( -0.863 0.000 0.000) 0.863 8.579 ( -7.092 0.000 0.000) 7.092 8.605 ( 1.606 0.000 0.000) 1.606 8.638 ( -1.551 0.000 0.000) 1.551 9.572 ( 2.087 0.000 0.000) 2.087 9.598 ( -0.502 0.000 0.000) 0.502 9.637 ( 1.550 0.000 0.000) 1.550 9.668 ( -1.317 0.000 0.000) 1.317 10.614 ( 4.008 0.000 0.000) 4.008 10.659 ( -1.170 0.000 0.000) 1.170 11.293 ( 2.611 0.000 0.000) 2.611 11.312 ( 0.647 0.000 0.000) 0.647 12.376 ( 0.956 0.000 0.000) 0.956 12.429 ( -5.302 0.000 0.000) 5.302 13.932 ( 9.313 0.000 0.000) 9.313 14.148 ( -12.016 0.000 0.000) 12.016 14.472 ( 1.924 0.000 0.000) 1.924 14.500 ( -0.822 0.000 0.000) 0.822 16.345 ( 1.918 0.000 0.000) 1.918 16.404 ( -4.238 0.000 0.000) 4.238 18.222 ( 1.778 0.000 0.000) 1.778 18.252 ( -1.298 0.000 0.000) 1.298 18.277 ( 27.204 0.000 0.000) 27.204 18.841 ( -30.001 0.000 0.000) 30.001 19.789 ( 21.302 0.000 0.000) 21.302 20.158 ( -16.343 0.000 0.000) 16.343 ======================= Grid point 12 (7/84) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 18.974 18.974 0.000) 26.833 0.891 ( 22.176 22.176 0.000) 31.361 1.641 ( 39.143 39.143 0.000) 55.357 2.331 ( 12.165 12.165 0.000) 17.204 2.681 ( 6.567 6.567 0.000) 9.288 2.851 ( 13.417 13.417 0.000) 18.974 3.345 ( 1.024 1.024 0.000) 1.448 3.963 ( -7.572 -7.572 0.000) 10.708 4.259 ( 0.664 0.664 0.000) 0.938 4.416 ( 0.863 0.863 0.000) 1.221 4.572 ( -8.126 -8.126 0.000) 11.491 5.212 ( -0.583 -0.583 0.000) 0.824 5.282 ( 1.702 1.702 0.000) 2.406 6.016 ( -5.356 -5.356 0.000) 7.575 6.190 ( 1.489 1.489 0.000) 2.106 6.400 ( 0.386 0.386 0.000) 0.546 6.412 ( -2.264 -2.264 0.000) 3.202 6.504 ( -5.510 -5.510 0.000) 7.793 6.558 ( 6.425 6.425 0.000) 9.086 7.060 ( 0.942 0.942 0.000) 1.332 7.087 ( -4.451 -4.451 0.000) 6.295 7.288 ( 3.549 3.549 0.000) 5.019 7.637 ( -5.310 -5.310 0.000) 7.510 7.826 ( -2.970 -2.970 0.000) 4.200 8.044 ( -6.994 -6.994 0.000) 9.890 8.466 ( -3.160 -3.160 0.000) 4.469 8.511 ( -0.084 -0.084 0.000) 0.118 8.577 ( 1.482 1.482 0.000) 2.095 8.626 ( -2.955 -2.955 0.000) 4.179 8.798 ( -5.135 -5.135 0.000) 7.263 9.034 ( -3.962 -3.962 0.000) 5.603 9.301 ( 1.381 1.381 0.000) 1.953 9.303 ( 5.687 5.687 0.000) 8.043 9.460 ( 0.663 0.663 0.000) 0.938 9.495 ( -1.361 -1.361 0.000) 1.924 9.531 ( 1.366 1.366 0.000) 1.932 9.851 ( 5.341 5.341 0.000) 7.554 10.665 ( 0.287 0.287 0.000) 0.406 10.971 ( 9.575 9.575 0.000) 13.541 11.103 ( -11.083 -11.083 0.000) 15.673 11.954 ( 2.138 2.138 0.000) 3.023 13.146 ( -0.622 -0.622 0.000) 0.880 14.377 ( 0.852 0.852 0.000) 1.206 14.383 ( 1.122 1.122 0.000) 1.586 14.586 ( -1.738 -1.738 0.000) 2.458 15.071 ( -17.868 -17.868 0.000) 25.269 15.815 ( 3.240 3.240 0.000) 4.582 16.906 ( 6.227 6.227 0.000) 8.806 17.334 ( 4.989 4.989 0.000) 7.055 17.490 ( 14.935 14.935 0.000) 21.122 18.062 ( 0.319 0.319 0.000) 0.452 18.367 ( -1.433 -1.433 0.000) 2.026 20.774 ( -12.273 -12.273 0.000) 17.357 20.831 ( -3.393 -3.393 0.000) 4.798 ======================= Grid point 13 (8/84) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 34.004 -3.791 0.000) 34.215 1.388 ( 26.905 13.113 0.000) 29.930 2.375 ( 32.564 29.526 0.000) 43.957 2.683 ( 24.219 8.880 0.000) 25.795 2.872 ( 12.503 3.865 0.000) 13.086 3.184 ( 19.483 8.128 0.000) 21.110 3.385 ( 3.280 0.720 0.000) 3.358 3.775 ( -10.015 -1.380 0.000) 10.110 4.236 ( -9.943 -0.979 0.000) 9.991 4.389 ( 4.072 -2.979 0.000) 5.045 4.482 ( -2.108 -9.931 0.000) 10.152 5.054 ( -11.059 8.542 0.000) 13.973 5.420 ( 7.632 -6.037 0.000) 9.731 5.854 ( -10.817 -2.455 0.000) 11.092 6.175 ( -14.300 -6.878 0.000) 15.868 6.293 ( 4.709 -6.295 0.000) 7.862 6.350 ( -9.673 -5.541 0.000) 11.148 6.404 ( -0.048 -2.142 0.000) 2.143 6.827 ( 16.844 15.536 0.000) 22.915 7.027 ( -1.595 -4.812 0.000) 5.069 7.144 ( 6.948 -3.983 0.000) 8.008 7.302 ( -4.925 3.311 0.000) 5.935 7.490 ( -5.894 -12.862 0.000) 14.148 7.753 ( -3.943 -2.724 0.000) 4.792 7.958 ( -2.277 -0.997 0.000) 2.486 8.359 ( -10.334 11.332 0.000) 15.336 8.394 ( -5.002 -7.132 0.000) 8.711 8.579 ( -1.132 -2.226 0.000) 2.498 8.644 ( -10.702 0.269 0.000) 10.705 8.694 ( 5.366 -1.014 0.000) 5.461 8.914 ( -7.825 -3.155 0.000) 8.438 9.157 ( -5.913 15.890 0.000) 16.954 9.449 ( 0.654 -6.655 0.000) 6.687 9.469 ( -0.229 4.326 0.000) 4.332 9.549 ( 1.203 2.737 0.000) 2.990 9.563 ( 7.969 -3.136 0.000) 8.563 10.016 ( 10.538 0.225 0.000) 10.541 10.751 ( 7.796 -7.031 0.000) 10.498 10.902 ( -8.743 -5.361 0.000) 10.256 11.149 ( 8.079 8.856 0.000) 11.987 12.046 ( 5.454 -9.124 0.000) 10.630 13.105 ( -4.061 1.055 0.000) 4.196 14.386 ( -23.711 -1.507 0.000) 23.758 14.389 ( 0.784 1.713 0.000) 1.884 14.426 ( 2.633 0.403 0.000) 2.663 14.656 ( -8.473 8.993 0.000) 12.356 16.037 ( 10.378 -12.197 0.000) 16.014 17.086 ( 12.015 4.012 0.000) 12.667 17.200 ( -10.612 24.070 0.000) 26.305 17.996 ( 24.429 -5.377 0.000) 25.013 18.086 ( 6.139 -1.624 0.000) 6.350 18.346 ( -0.338 -1.796 0.000) 1.827 20.431 ( -22.052 -11.334 0.000) 24.794 20.735 ( -6.483 -4.785 0.000) 8.057 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 26.437 8.196 0.000) 27.678 1.987 ( 30.893 -5.733 0.000) 31.421 2.850 ( 16.837 15.741 0.000) 23.049 3.131 ( 16.631 5.692 0.000) 17.578 3.279 ( 28.937 4.795 0.000) 29.332 3.487 ( 8.293 1.838 0.000) 8.494 3.576 ( 19.513 1.469 0.000) 19.569 3.611 ( -6.048 0.721 0.000) 6.091 3.967 ( -15.390 -0.757 0.000) 15.408 4.402 ( -6.178 -10.933 0.000) 12.558 4.545 ( 8.709 -4.726 0.000) 9.909 4.839 ( -9.234 9.270 0.000) 13.084 5.511 ( -2.122 -6.433 0.000) 6.774 5.636 ( -7.577 -0.434 0.000) 7.590 5.842 ( -17.582 -7.604 0.000) 19.156 6.101 ( -14.488 -5.725 0.000) 15.578 6.404 ( 0.408 -4.547 0.000) 4.566 6.465 ( 10.806 -7.901 0.000) 13.387 7.017 ( 0.313 -2.873 0.000) 2.890 7.098 ( -12.180 -9.784 0.000) 15.623 7.147 ( 14.098 5.922 0.000) 15.292 7.305 ( 8.384 -4.423 0.000) 9.479 7.444 ( -2.019 0.966 0.000) 2.238 7.708 ( 1.029 3.696 0.000) 3.836 7.928 ( -1.008 1.172 0.000) 1.546 8.157 ( -9.414 11.182 0.000) 14.617 8.242 ( -11.368 -10.008 0.000) 15.146 8.396 ( -13.145 2.231 0.000) 13.333 8.579 ( 1.009 0.756 0.000) 1.261 8.753 ( -7.986 -3.899 0.000) 8.886 8.762 ( 1.594 5.144 0.000) 5.385 9.059 ( -4.676 15.089 0.000) 15.796 9.468 ( 1.741 -7.940 0.000) 8.128 9.468 ( 0.870 1.379 0.000) 1.631 9.580 ( 1.526 1.660 0.000) 2.255 9.683 ( 3.857 0.407 0.000) 3.878 10.236 ( 11.270 -2.775 0.000) 11.607 10.767 ( -5.093 -0.736 0.000) 5.146 10.933 ( 9.836 -8.417 0.000) 12.946 11.277 ( 4.832 6.612 0.000) 8.189 12.137 ( 3.677 -12.663 0.000) 13.186 12.957 ( -11.423 3.348 0.000) 11.903 13.983 ( -13.071 6.172 0.000) 14.455 14.411 ( 1.540 1.746 0.000) 2.328 14.476 ( 2.297 0.582 0.000) 2.369 14.546 ( -5.858 3.760 0.000) 6.960 16.185 ( 5.511 -6.531 0.000) 8.545 16.969 ( -12.486 22.265 0.000) 25.526 17.374 ( 17.223 1.070 0.000) 17.256 18.092 ( 1.866 -3.795 0.000) 4.229 18.301 ( -0.570 0.002 0.000) 0.570 18.645 ( 29.547 -10.187 0.000) 31.254 19.933 ( -27.986 -10.020 0.000) 29.725 20.576 ( -9.659 -6.519 0.000) 11.654 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 24.173 5.063 0.000) 24.698 2.527 ( 23.629 -1.421 0.000) 23.672 3.065 ( 5.635 9.639 0.000) 11.165 3.451 ( 14.469 1.307 0.000) 14.528 3.532 ( -5.305 0.173 0.000) 5.308 3.601 ( 9.407 1.693 0.000) 9.558 3.678 ( -10.320 0.522 0.000) 10.333 3.861 ( 21.948 2.712 0.000) 22.115 3.919 ( 14.798 -4.101 0.000) 15.356 4.210 ( -12.912 -6.544 0.000) 14.476 4.654 ( 1.205 0.960 0.000) 1.541 4.786 ( 3.988 -1.834 0.000) 4.389 5.333 ( -8.898 -1.018 0.000) 8.956 5.534 ( -12.568 -6.696 0.000) 14.240 5.580 ( -3.775 -5.772 0.000) 6.897 5.795 ( -15.969 -6.228 0.000) 17.140 6.442 ( 3.900 -5.358 0.000) 6.627 6.718 ( 14.948 -10.358 0.000) 18.186 6.883 ( -9.546 -11.393 0.000) 14.864 7.035 ( 1.619 0.784 0.000) 1.799 7.329 ( 4.621 -6.572 0.000) 8.034 7.355 ( -6.907 9.338 0.000) 11.615 7.440 ( 5.310 -7.156 0.000) 8.911 7.831 ( 8.847 12.802 0.000) 15.562 7.918 ( 0.056 1.816 0.000) 1.817 7.933 ( -17.982 -4.089 0.000) 18.441 8.015 ( -4.899 6.195 0.000) 7.898 8.177 ( -9.025 -6.791 0.000) 11.295 8.614 ( 2.507 4.097 0.000) 4.803 8.629 ( -3.739 -0.758 0.000) 3.815 8.765 ( -1.084 8.252 0.000) 8.323 8.953 ( -6.488 16.407 0.000) 17.643 9.503 ( 2.461 -0.817 0.000) 2.593 9.520 ( 3.302 -6.499 0.000) 7.290 9.599 ( 0.280 0.368 0.000) 0.463 9.712 ( -0.755 0.723 0.000) 1.045 10.439 ( 8.919 -4.160 0.000) 9.842 10.694 ( -2.604 0.209 0.000) 2.612 11.115 ( 8.335 -6.335 0.000) 10.469 11.337 ( 1.274 3.686 0.000) 3.900 12.199 ( 3.160 -11.333 0.000) 11.765 12.690 ( -14.184 3.379 0.000) 14.581 13.884 ( 1.645 6.763 0.000) 6.960 14.398 ( -9.212 3.802 0.000) 9.966 14.447 ( 2.050 1.666 0.000) 2.641 14.509 ( 0.959 0.880 0.000) 1.302 16.281 ( 4.710 -0.855 0.000) 4.787 16.729 ( -11.475 17.189 0.000) 20.667 17.759 ( 21.913 -1.925 0.000) 21.997 18.135 ( 2.521 -4.119 0.000) 4.829 18.276 ( -1.700 -0.397 0.000) 1.746 19.203 ( 26.542 -11.464 0.000) 28.912 19.358 ( -30.044 -8.476 0.000) 31.217 20.353 ( -13.111 -8.345 0.000) 15.541 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 21.332 2.645 0.000) 21.496 2.901 ( 14.231 3.653 0.000) 14.692 3.081 ( -4.088 7.095 0.000) 8.188 3.253 ( -18.491 0.686 0.000) 18.503 3.667 ( 7.713 -2.006 0.000) 7.970 3.711 ( 8.664 0.160 0.000) 8.666 3.733 ( 2.022 1.393 0.000) 2.455 3.938 ( -13.630 -2.088 0.000) 13.789 4.140 ( 7.291 -5.046 0.000) 8.867 4.155 ( 6.843 -2.056 0.000) 7.145 4.700 ( 4.286 -0.047 0.000) 4.286 4.799 ( -4.107 -2.923 0.000) 5.041 5.295 ( 5.277 -3.275 0.000) 6.211 5.396 ( -0.549 -6.280 0.000) 6.304 5.451 ( -8.566 -6.075 0.000) 10.501 5.513 ( -11.501 -6.635 0.000) 13.277 6.556 ( 7.359 -6.386 0.000) 9.744 6.712 ( -8.247 -9.264 0.000) 12.403 7.049 ( 18.472 -12.651 0.000) 22.389 7.089 ( 4.191 5.940 0.000) 7.269 7.205 ( -7.411 10.655 0.000) 12.979 7.361 ( -5.956 -14.689 0.000) 15.850 7.476 ( -0.252 -4.700 0.000) 4.707 7.577 ( -11.719 1.553 0.000) 11.822 7.928 ( 0.847 1.863 0.000) 2.047 7.953 ( -1.876 2.759 0.000) 3.336 7.996 ( 4.691 2.220 0.000) 5.190 8.055 ( -3.319 -9.005 0.000) 9.597 8.642 ( 5.393 10.937 0.000) 12.194 8.671 ( 3.061 6.617 0.000) 7.291 8.727 ( -2.538 8.179 0.000) 8.564 8.799 ( -8.919 17.529 0.000) 19.668 9.553 ( 2.378 -1.617 0.000) 2.876 9.589 ( -1.232 -0.917 0.000) 1.536 9.592 ( 3.899 -3.691 0.000) 5.369 9.666 ( -3.441 -1.064 0.000) 3.602 10.577 ( 5.130 -3.468 0.000) 6.192 10.649 ( -2.554 -1.414 0.000) 2.920 11.252 ( 5.496 -3.076 0.000) 6.299 11.328 ( -2.205 0.390 0.000) 2.239 12.284 ( 5.933 -6.748 0.000) 8.985 12.444 ( -10.440 -0.967 0.000) 10.485 13.996 ( 8.767 6.586 0.000) 10.965 14.196 ( -10.885 5.387 0.000) 12.145 14.487 ( 1.801 1.480 0.000) 2.332 14.512 ( -0.662 1.204 0.000) 1.374 16.384 ( 6.111 4.732 0.000) 7.729 16.529 ( -8.762 10.858 0.000) 13.953 18.187 ( 2.670 -3.217 0.000) 4.180 18.231 ( 26.010 -4.546 0.000) 26.404 18.237 ( -2.293 -1.696 0.000) 2.852 18.774 ( -29.027 -6.694 0.000) 29.789 19.677 ( 21.743 -11.170 0.000) 24.444 20.058 ( -17.112 -9.993 0.000) 19.816 ======================= Grid point 24 (12/84) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 17.876 17.876 0.000) 25.281 1.722 ( 19.921 19.921 0.000) 28.173 2.902 ( 15.151 15.151 0.000) 21.427 2.985 ( 28.189 28.189 0.000) 39.866 2.996 ( 8.619 8.619 0.000) 12.189 3.387 ( 11.867 11.867 0.000) 16.782 3.421 ( 3.421 3.421 0.000) 4.838 3.715 ( -4.667 -4.667 0.000) 6.601 4.171 ( -9.124 -9.124 0.000) 12.904 4.325 ( -5.055 -5.055 0.000) 7.149 4.332 ( 0.549 0.549 0.000) 0.777 5.162 ( -2.596 -2.596 0.000) 3.671 5.309 ( -0.453 -0.453 0.000) 0.641 5.762 ( -7.093 -7.093 0.000) 10.031 5.942 ( -15.635 -15.635 0.000) 22.111 6.193 ( -9.319 -9.319 0.000) 13.179 6.256 ( 0.811 0.811 0.000) 1.147 6.343 ( -3.677 -3.677 0.000) 5.200 6.978 ( -0.040 -0.040 0.000) 0.057 7.107 ( 1.291 1.291 0.000) 1.825 7.123 ( 11.492 11.492 0.000) 16.252 7.129 ( -15.902 -15.902 0.000) 22.488 7.434 ( 3.487 3.487 0.000) 4.931 7.705 ( -0.122 -0.122 0.000) 0.172 7.945 ( -0.485 -0.485 0.000) 0.686 8.258 ( -7.537 -7.537 0.000) 10.659 8.532 ( 1.079 1.079 0.000) 1.526 8.577 ( 1.989 1.989 0.000) 2.813 8.630 ( -2.979 -2.979 0.000) 4.213 8.661 ( 2.692 2.692 0.000) 3.807 8.783 ( -8.975 -8.975 0.000) 12.693 9.297 ( -4.240 -4.240 0.000) 5.997 9.415 ( 1.575 1.575 0.000) 2.228 9.529 ( 5.192 5.192 0.000) 7.343 9.535 ( 1.755 1.755 0.000) 2.482 9.614 ( 2.879 2.879 0.000) 4.071 10.068 ( 4.956 4.956 0.000) 7.009 10.684 ( 0.961 0.961 0.000) 1.359 10.805 ( -4.108 -4.108 0.000) 5.810 11.299 ( 6.044 6.044 0.000) 8.547 11.935 ( -2.402 -2.402 0.000) 3.397 13.086 ( -3.499 -3.499 0.000) 4.949 14.219 ( -11.691 -11.691 0.000) 16.534 14.428 ( 1.764 1.764 0.000) 2.495 14.444 ( 1.913 1.913 0.000) 2.705 14.770 ( 0.363 0.363 0.000) 0.513 15.981 ( 4.837 4.837 0.000) 6.841 17.206 ( 8.242 8.242 0.000) 11.656 17.607 ( 8.585 8.585 0.000) 12.141 17.927 ( 6.032 6.032 0.000) 8.530 18.039 ( -1.682 -1.682 0.000) 2.379 18.321 ( -0.828 -0.828 0.000) 1.171 20.114 ( -20.418 -20.418 0.000) 28.875 20.600 ( -8.820 -8.820 0.000) 12.474 ======================= Grid point 25 (13/84) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 28.013 3.849 0.000) 28.276 2.137 ( 21.651 13.773 0.000) 25.661 3.150 ( 9.564 12.820 0.000) 15.995 3.212 ( 12.904 3.593 0.000) 13.395 3.468 ( 15.158 11.491 0.000) 19.021 3.574 ( 16.899 8.141 0.000) 18.758 3.617 ( -4.507 -0.339 0.000) 4.520 3.626 ( 11.731 4.257 0.000) 12.479 3.930 ( -13.770 -3.902 0.000) 14.313 4.209 ( -6.507 -8.056 0.000) 10.355 4.436 ( 7.638 -5.214 0.000) 9.248 4.987 ( -10.760 4.950 0.000) 11.844 5.360 ( 0.898 -8.144 0.000) 8.193 5.593 ( -9.088 -3.935 0.000) 9.904 5.609 ( -17.316 -15.732 0.000) 23.395 5.959 ( -14.133 -8.642 0.000) 16.566 6.284 ( -1.619 -6.971 0.000) 7.157 6.329 ( 6.087 -5.277 0.000) 8.056 6.840 ( -12.778 -14.473 0.000) 19.306 7.015 ( 3.580 2.866 0.000) 4.586 7.164 ( 4.060 -1.927 0.000) 4.494 7.223 ( -0.193 -6.299 0.000) 6.302 7.494 ( 2.041 3.142 0.000) 3.747 7.805 ( 8.188 5.123 0.000) 9.659 7.941 ( 0.110 0.632 0.000) 0.641 8.072 ( -11.608 -7.245 0.000) 13.683 8.406 ( -9.499 12.646 0.000) 15.816 8.487 ( -11.050 5.578 0.000) 12.378 8.639 ( -3.611 -4.408 0.000) 5.699 8.644 ( 4.439 5.490 0.000) 7.061 8.802 ( 7.447 -1.241 0.000) 7.550 9.258 ( -0.059 -4.271 0.000) 4.271 9.380 ( -1.503 7.697 0.000) 7.843 9.540 ( -0.970 2.847 0.000) 3.008 9.635 ( -0.444 5.297 0.000) 5.315 9.665 ( 4.863 -1.178 0.000) 5.004 10.195 ( 7.516 -0.951 0.000) 7.576 10.736 ( -3.184 -2.459 0.000) 4.023 10.787 ( 8.722 -5.693 0.000) 10.416 11.380 ( 2.229 3.659 0.000) 4.284 11.931 ( 1.674 -7.570 0.000) 7.753 12.944 ( -11.175 -4.811 0.000) 12.167 14.039 ( -4.809 0.974 0.000) 4.907 14.458 ( 1.590 2.819 0.000) 3.236 14.494 ( 2.570 1.235 0.000) 2.852 14.709 ( -5.525 10.752 0.000) 12.089 16.125 ( 8.420 -0.016 0.000) 8.420 17.412 ( 12.846 3.032 0.000) 13.199 17.447 ( -15.760 25.697 0.000) 30.145 18.009 ( 0.597 -3.906 0.000) 3.952 18.291 ( 1.223 -2.150 0.000) 2.474 18.366 ( 24.144 -16.728 0.000) 29.373 19.653 ( -25.920 -18.055 0.000) 31.589 20.392 ( -12.297 -12.028 0.000) 17.202 ======================= Grid point 26 (14/84) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 27.411 0.498 0.000) 27.415 2.554 ( 20.562 8.924 0.000) 22.415 3.282 ( 3.286 10.857 0.000) 11.343 3.436 ( 9.834 -1.752 0.000) 9.989 3.534 ( -7.042 -0.006 0.000) 7.042 3.683 ( -7.621 -0.473 0.000) 7.635 3.703 ( 10.819 7.296 0.000) 13.049 3.816 ( 7.921 -5.188 0.000) 9.469 3.934 ( 14.693 4.293 0.000) 15.308 4.062 ( -8.623 -7.814 0.000) 11.637 4.588 ( 6.824 -5.913 0.000) 9.030 4.809 ( -6.410 2.420 0.000) 6.852 5.290 ( -6.299 -3.727 0.000) 7.320 5.307 ( -11.982 -16.312 0.000) 20.240 5.448 ( -6.106 -6.381 0.000) 8.832 5.654 ( -16.357 -7.928 0.000) 18.177 6.295 ( 2.694 -9.194 0.000) 9.581 6.490 ( 10.316 -11.548 0.000) 15.485 6.633 ( -8.503 -13.567 0.000) 16.011 7.112 ( 6.239 6.932 0.000) 9.326 7.146 ( -4.402 -14.325 0.000) 14.986 7.298 ( 6.472 -5.216 0.000) 8.312 7.499 ( -1.903 5.391 0.000) 5.717 7.790 ( -11.861 -6.353 0.000) 13.456 7.930 ( -0.310 -2.831 0.000) 2.848 7.953 ( 1.141 2.223 0.000) 2.499 8.215 ( -9.278 12.793 0.000) 15.804 8.236 ( -13.366 7.598 0.000) 15.375 8.702 ( 9.612 10.564 0.000) 14.283 8.741 ( 5.272 8.260 0.000) 9.799 8.907 ( 2.894 4.592 0.000) 5.428 9.234 ( -3.167 8.412 0.000) 8.989 9.404 ( 3.805 -2.994 0.000) 4.842 9.517 ( -0.666 2.155 0.000) 2.255 9.612 ( -1.751 2.285 0.000) 2.879 9.696 ( -1.597 -1.706 0.000) 2.337 10.347 ( 7.645 -4.765 0.000) 9.009 10.672 ( -3.543 -2.830 0.000) 4.534 10.984 ( 10.478 -6.769 0.000) 12.475 11.385 ( -1.699 1.021 0.000) 1.982 11.998 ( 5.283 -8.482 0.000) 9.993 12.672 ( -15.427 -4.932 0.000) 16.196 14.044 ( 4.667 9.376 0.000) 10.474 14.493 ( 1.898 2.830 0.000) 3.407 14.534 ( 1.387 1.616 0.000) 2.130 14.570 ( -8.441 13.773 0.000) 16.154 16.299 ( 9.469 1.697 0.000) 9.619 17.109 ( -17.638 20.343 0.000) 26.925 17.712 ( 17.756 -2.506 0.000) 17.932 18.044 ( 2.753 -4.625 0.000) 5.382 18.253 ( -2.878 -1.989 0.000) 3.499 18.889 ( 26.084 -19.655 0.000) 32.661 19.121 ( -27.635 -15.170 0.000) 31.525 20.118 ( -15.559 -15.219 0.000) 21.765 ======================= Grid point 27 (15/84) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 18.331 4.942 0.000) 18.986 2.985 ( 19.477 4.203 0.000) 19.925 3.249 ( -7.220 8.835 0.000) 11.410 3.276 ( -16.145 1.634 0.000) 16.227 3.620 ( 9.044 -2.437 0.000) 9.367 3.705 ( 6.467 -1.036 0.000) 6.549 3.765 ( -4.215 1.663 0.000) 4.531 3.875 ( -9.920 -4.279 0.000) 10.803 4.003 ( 9.587 -8.330 0.000) 12.700 4.098 ( 1.361 -3.829 0.000) 4.063 4.679 ( 3.030 -2.938 0.000) 4.220 4.735 ( -2.574 -2.619 0.000) 3.672 5.195 ( 1.553 -13.887 0.000) 13.974 5.225 ( 1.280 -3.479 0.000) 3.707 5.319 ( -6.758 -6.373 0.000) 9.289 5.353 ( -13.086 -9.192 0.000) 15.992 6.377 ( 5.264 -11.283 0.000) 12.450 6.491 ( -6.323 -12.756 0.000) 14.237 6.730 ( 13.734 -17.690 0.000) 22.395 6.994 ( -11.681 -20.877 0.000) 23.923 7.257 ( 8.195 10.205 0.000) 13.088 7.412 ( -6.788 9.374 0.000) 11.574 7.434 ( 7.561 -1.984 0.000) 7.816 7.591 ( -8.262 -0.749 0.000) 8.295 7.915 ( 0.780 -4.709 0.000) 4.773 7.988 ( 2.603 4.629 0.000) 5.311 8.010 ( -8.716 2.100 0.000) 8.966 8.065 ( -5.634 8.754 0.000) 10.410 8.842 ( 4.708 9.979 0.000) 11.034 8.913 ( -2.072 9.292 0.000) 9.520 8.936 ( 12.119 17.052 0.000) 20.920 9.131 ( -7.450 14.832 0.000) 16.598 9.501 ( 5.719 -5.274 0.000) 7.779 9.528 ( 1.641 -0.370 0.000) 1.683 9.570 ( -2.381 -0.258 0.000) 2.395 9.618 ( -5.658 -3.574 0.000) 6.692 10.485 ( 6.295 -5.683 0.000) 8.480 10.592 ( -4.653 -4.440 0.000) 6.431 11.176 ( 8.637 -4.748 0.000) 9.856 11.315 ( -5.423 -1.862 0.000) 5.734 12.144 ( 9.715 -6.954 0.000) 11.947 12.378 ( -13.855 -5.323 0.000) 14.842 14.189 ( 9.326 13.076 0.000) 16.061 14.385 ( -10.086 14.262 0.000) 17.468 14.527 ( 1.489 2.573 0.000) 2.973 14.546 ( -0.242 2.130 0.000) 2.143 16.508 ( 12.117 6.694 0.000) 13.844 16.780 ( -15.526 13.425 0.000) 20.525 18.108 ( 22.493 -7.536 0.000) 23.722 18.110 ( 3.819 -4.269 0.000) 5.727 18.186 ( -3.786 -3.269 0.000) 5.002 18.589 ( -26.156 -11.728 0.000) 28.665 19.370 ( 22.730 -19.354 0.000) 29.853 19.780 ( -19.004 -17.777 0.000) 26.023 ======================= Grid point 36 (16/84) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 16.153 16.153 0.000) 22.843 2.435 ( 16.111 16.111 0.000) 22.784 3.286 ( 5.241 5.241 0.000) 7.412 3.344 ( 6.774 6.774 0.000) 9.581 3.596 ( -1.661 -1.661 0.000) 2.348 3.635 ( 2.678 2.678 0.000) 3.788 3.741 ( 13.310 13.310 0.000) 18.824 3.797 ( -8.944 -8.944 0.000) 12.649 3.825 ( 11.293 11.293 0.000) 15.970 4.067 ( -7.458 -7.458 0.000) 10.547 4.401 ( 2.351 2.351 0.000) 3.324 4.976 ( -6.459 -6.459 0.000) 9.135 5.251 ( -2.310 -2.310 0.000) 3.267 5.255 ( -19.245 -19.245 0.000) 27.217 5.486 ( -6.715 -6.715 0.000) 9.497 5.754 ( -12.389 -12.389 0.000) 17.521 6.159 ( -5.091 -5.091 0.000) 7.199 6.268 ( -0.895 -0.895 0.000) 1.265 6.573 ( -12.115 -12.115 0.000) 17.134 7.035 ( -11.006 -11.006 0.000) 15.565 7.119 ( 7.273 7.273 0.000) 10.285 7.161 ( 1.576 1.576 0.000) 2.229 7.550 ( 2.423 2.423 0.000) 3.427 7.840 ( -1.714 -1.714 0.000) 2.423 7.912 ( -9.450 -9.450 0.000) 13.364 7.964 ( 1.879 1.879 0.000) 2.657 8.539 ( -2.093 -2.093 0.000) 2.961 8.577 ( 1.140 1.140 0.000) 1.613 8.704 ( 10.920 10.920 0.000) 15.443 8.775 ( 2.907 2.907 0.000) 4.111 8.783 ( 7.737 7.737 0.000) 10.942 9.154 ( -2.420 -2.420 0.000) 3.423 9.484 ( 0.604 0.604 0.000) 0.854 9.551 ( -0.847 -0.847 0.000) 1.198 9.679 ( 2.299 2.299 0.000) 3.251 9.751 ( 3.882 3.882 0.000) 5.490 10.204 ( 1.858 1.858 0.000) 2.628 10.672 ( -4.032 -4.032 0.000) 5.703 10.742 ( 1.836 1.836 0.000) 2.597 11.415 ( -0.203 -0.203 0.000) 0.286 11.846 ( -1.158 -1.158 0.000) 1.637 12.779 ( -11.370 -11.370 0.000) 16.079 14.097 ( 5.771 5.771 0.000) 8.161 14.512 ( 2.408 2.408 0.000) 3.405 14.527 ( 2.218 2.218 0.000) 3.137 14.881 ( 5.488 5.488 0.000) 7.762 16.168 ( 4.428 4.428 0.000) 6.262 17.503 ( 6.472 6.472 0.000) 9.152 17.905 ( -6.273 -6.273 0.000) 8.871 17.975 ( 9.678 9.678 0.000) 13.687 17.992 ( -0.962 -0.962 0.000) 1.360 18.267 ( -2.328 -2.328 0.000) 3.292 19.246 ( -22.795 -22.795 0.000) 32.236 20.115 ( -15.922 -15.922 0.000) 22.518 ======================= Grid point 37 (17/84) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 23.973 4.756 0.000) 24.440 2.752 ( 15.853 10.898 0.000) 19.237 3.400 ( 5.662 0.743 0.000) 5.711 3.459 ( 4.486 4.796 0.000) 6.567 3.534 ( -7.491 0.001 0.000) 7.491 3.638 ( -3.623 -4.313 0.000) 5.633 3.669 ( 2.743 -6.722 0.000) 7.260 3.917 ( -7.428 -6.933 0.000) 10.160 3.922 ( 1.889 9.710 0.000) 9.892 4.024 ( 8.000 6.439 0.000) 10.269 4.496 ( 6.104 -2.365 0.000) 6.547 4.817 ( -7.888 -2.283 0.000) 8.212 4.915 ( -12.579 -23.023 0.000) 26.235 5.206 ( -3.139 -3.722 0.000) 4.869 5.346 ( -7.061 -4.678 0.000) 8.470 5.476 ( -15.619 -10.359 0.000) 18.742 6.104 ( -0.290 -9.357 0.000) 9.362 6.293 ( 3.454 -8.147 0.000) 8.849 6.372 ( -8.476 -12.550 0.000) 15.144 6.815 ( -11.394 -17.772 0.000) 21.111 7.231 ( 5.429 -1.709 0.000) 5.691 7.284 ( 9.065 9.817 0.000) 13.362 7.581 ( 0.431 3.199 0.000) 3.228 7.702 ( -9.298 -4.873 0.000) 10.498 7.827 ( 0.219 -3.548 0.000) 3.554 8.018 ( 3.778 4.650 0.000) 5.991 8.386 ( -12.195 7.012 0.000) 14.067 8.467 ( -8.976 11.877 0.000) 14.887 8.890 ( 6.886 1.987 0.000) 7.167 8.951 ( 7.653 4.978 0.000) 9.129 8.983 ( 15.571 14.621 0.000) 21.360 9.186 ( 4.381 -5.811 0.000) 7.278 9.457 ( -2.211 1.441 0.000) 2.639 9.530 ( -0.760 -0.474 0.000) 0.896 9.687 ( -2.530 1.641 0.000) 3.015 9.748 ( -3.731 9.911 0.000) 10.590 10.264 ( 4.175 -3.350 0.000) 5.353 10.582 ( -5.039 -6.085 0.000) 7.900 10.860 ( 9.295 -5.365 0.000) 10.733 11.371 ( -4.285 -2.601 0.000) 5.013 11.883 ( 4.861 -2.987 0.000) 5.706 12.526 ( -13.807 -9.159 0.000) 16.568 14.266 ( 11.015 13.534 0.000) 17.449 14.553 ( 1.847 3.084 0.000) 3.594 14.571 ( 1.848 2.042 0.000) 2.753 14.900 ( -3.697 18.366 0.000) 18.734 16.314 ( 10.826 -0.489 0.000) 10.837 17.470 ( -24.405 13.630 0.000) 27.953 17.676 ( 11.361 -0.761 0.000) 11.386 17.976 ( 1.951 -1.650 0.000) 2.556 18.199 ( -3.652 -3.338 0.000) 4.947 18.484 ( 25.147 -19.035 0.000) 31.539 18.782 ( -23.821 -18.774 0.000) 30.330 19.775 ( -18.508 -19.164 0.000) 26.642 ======================= Grid point 38 (18/84) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 22.564 0.557 0.000) 22.571 3.049 ( 14.272 6.248 0.000) 15.579 3.314 ( -12.803 2.160 0.000) 12.984 3.368 ( -10.033 2.022 0.000) 10.234 3.589 ( 9.776 -0.564 0.000) 9.792 3.663 ( 4.338 -3.132 0.000) 5.351 3.766 ( 0.202 -4.217 0.000) 4.222 3.778 ( -6.779 -5.361 0.000) 8.642 3.865 ( -0.946 -2.634 0.000) 2.799 4.010 ( -8.020 -4.674 0.000) 9.282 4.607 ( 4.807 -3.099 0.000) 5.719 4.694 ( -4.748 -2.108 0.000) 5.195 4.888 ( 9.354 -16.083 0.000) 18.605 5.159 ( -16.075 -10.272 0.000) 19.076 5.162 ( 0.004 -2.883 0.000) 2.883 5.221 ( -5.347 -3.870 0.000) 6.601 6.140 ( 3.539 -12.129 0.000) 12.634 6.233 ( -5.852 -12.951 0.000) 14.211 6.403 ( 7.761 -14.858 0.000) 16.762 6.591 ( -10.978 -19.292 0.000) 22.197 7.366 ( 7.987 -4.076 0.000) 8.967 7.452 ( 7.387 8.887 0.000) 11.556 7.530 ( -8.492 -5.302 0.000) 10.011 7.557 ( -3.147 5.509 0.000) 6.345 7.905 ( 7.987 4.359 0.000) 9.099 8.119 ( 6.679 8.767 0.000) 11.022 8.123 ( -13.297 8.363 0.000) 15.708 8.280 ( -9.400 12.304 0.000) 15.484 9.008 ( 4.631 3.860 0.000) 6.028 9.046 ( 1.381 5.026 0.000) 5.213 9.246 ( 8.434 12.626 0.000) 15.183 9.275 ( 3.764 -3.274 0.000) 4.989 9.435 ( 2.092 -0.229 0.000) 2.105 9.546 ( 2.955 2.920 0.000) 4.154 9.575 ( -8.354 2.063 0.000) 8.604 9.642 ( -6.063 8.424 0.000) 10.379 10.363 ( 5.615 -6.452 0.000) 8.553 10.476 ( -5.708 -7.162 0.000) 9.158 11.063 ( 10.502 -6.646 0.000) 12.428 11.249 ( -8.044 -4.970 0.000) 9.455 12.030 ( 9.861 -4.306 0.000) 10.760 12.258 ( -13.026 -6.310 0.000) 14.474 14.508 ( 13.053 19.362 0.000) 23.351 14.583 ( 1.135 2.947 0.000) 3.157 14.592 ( 0.280 2.520 0.000) 2.536 14.750 ( -10.782 22.401 0.000) 24.860 16.598 ( 17.900 1.264 0.000) 17.944 17.001 ( -22.715 7.468 0.000) 23.911 17.953 ( 16.858 -7.749 0.000) 18.553 18.035 ( 3.788 -2.999 0.000) 4.832 18.117 ( -4.370 -3.453 0.000) 5.570 18.332 ( -21.504 -13.802 0.000) 25.552 18.960 ( 23.109 -20.844 0.000) 31.120 19.390 ( -20.707 -20.905 0.000) 29.425 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 11.940 11.940 0.000) 16.886 2.969 ( 10.889 10.889 0.000) 15.400 3.441 ( 3.942 3.942 0.000) 5.575 3.500 ( -5.906 -5.906 0.000) 8.352 3.523 ( -7.243 -7.243 0.000) 10.243 3.545 ( 3.676 3.676 0.000) 5.199 3.562 ( -0.275 -0.275 0.000) 0.390 3.786 ( -6.363 -6.363 0.000) 8.999 3.951 ( -4.172 -4.172 0.000) 5.900 4.279 ( 12.524 12.524 0.000) 17.712 4.439 ( -21.340 -21.340 0.000) 30.179 4.505 ( 2.849 2.849 0.000) 4.030 4.738 ( -4.714 -4.714 0.000) 6.666 5.148 ( -2.635 -2.635 0.000) 3.727 5.245 ( -13.134 -13.134 0.000) 18.574 5.247 ( -5.322 -5.322 0.000) 7.526 5.961 ( -4.584 -4.584 0.000) 6.483 6.154 ( -9.449 -9.449 0.000) 13.363 6.178 ( -3.412 -3.412 0.000) 4.825 6.491 ( -14.501 -14.501 0.000) 20.508 7.235 ( 2.082 2.082 0.000) 2.944 7.467 ( 8.172 8.172 0.000) 11.556 7.563 ( -7.745 -7.745 0.000) 10.953 7.628 ( 1.526 1.526 0.000) 2.158 7.869 ( 6.569 6.569 0.000) 9.290 8.141 ( 7.864 7.864 0.000) 11.122 8.450 ( -2.410 -2.410 0.000) 3.408 8.618 ( 0.922 0.922 0.000) 1.303 8.876 ( 2.103 2.103 0.000) 2.974 9.056 ( -0.004 -0.004 0.000) 0.005 9.083 ( 4.587 4.587 0.000) 6.488 9.298 ( 9.924 9.924 0.000) 14.034 9.423 ( -2.082 -2.082 0.000) 2.945 9.547 ( 3.448 3.448 0.000) 4.876 9.718 ( -0.021 -0.021 0.000) 0.030 9.899 ( 3.413 3.413 0.000) 4.826 10.226 ( -0.421 -0.421 0.000) 0.595 10.451 ( -6.742 -6.742 0.000) 9.535 10.811 ( 1.513 1.513 0.000) 2.139 11.281 ( -6.524 -6.524 0.000) 9.226 11.883 ( 2.810 2.810 0.000) 3.974 12.334 ( -9.984 -9.984 0.000) 14.120 14.576 ( 17.767 17.767 0.000) 25.127 14.606 ( 2.195 2.195 0.000) 3.104 14.611 ( 1.966 1.966 0.000) 2.780 15.216 ( 11.065 11.065 0.000) 15.648 16.313 ( 2.818 2.818 0.000) 3.985 17.459 ( -16.419 -16.419 0.000) 23.220 17.699 ( 3.535 3.535 0.000) 4.999 17.972 ( 0.283 0.283 0.000) 0.400 18.149 ( -3.227 -3.227 0.000) 4.563 18.327 ( 7.707 7.707 0.000) 10.899 18.408 ( -18.701 -18.701 0.000) 26.448 19.386 ( -20.032 -20.032 0.000) 28.329 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 16.883 -1.617 0.000) 16.960 3.172 ( 9.666 6.006 0.000) 11.380 3.319 ( -12.716 -6.684 0.000) 14.366 3.350 ( -8.535 1.123 0.000) 8.609 3.590 ( 10.975 0.796 0.000) 11.004 3.595 ( 3.028 -3.195 0.000) 4.402 3.659 ( 7.406 -3.668 0.000) 8.264 3.674 ( -4.906 -4.894 0.000) 6.929 3.817 ( -8.518 -5.116 0.000) 9.936 3.933 ( -21.426 -4.413 0.000) 21.875 4.579 ( 4.049 0.312 0.000) 4.061 4.642 ( 16.990 -6.530 0.000) 18.202 4.654 ( -3.785 -1.620 0.000) 4.117 4.963 ( -15.474 -9.424 0.000) 18.118 5.111 ( -0.388 -2.512 0.000) 2.542 5.150 ( -4.082 -3.604 0.000) 5.446 5.932 ( 1.405 -8.305 0.000) 8.423 6.004 ( -5.748 -9.842 0.000) 11.397 6.163 ( 2.023 -9.305 0.000) 9.522 6.264 ( -8.357 -13.481 0.000) 15.861 7.307 ( 5.013 -1.593 0.000) 5.260 7.422 ( -6.550 -4.966 0.000) 8.219 7.590 ( 4.186 5.084 0.000) 6.586 7.636 ( -0.783 2.780 0.000) 2.888 8.053 ( 11.589 9.624 0.000) 15.064 8.293 ( -11.724 7.750 0.000) 14.053 8.321 ( 10.091 11.205 0.000) 15.079 8.515 ( -8.924 10.692 0.000) 13.927 8.985 ( 6.739 -3.802 0.000) 7.738 9.091 ( -3.297 -1.469 0.000) 3.609 9.138 ( 6.916 -7.631 0.000) 10.299 9.277 ( -6.455 -6.521 0.000) 9.176 9.538 ( 8.197 8.513 0.000) 11.818 9.668 ( -4.887 4.241 0.000) 6.471 9.680 ( 9.228 10.404 0.000) 13.907 9.855 ( -7.043 11.228 0.000) 13.254 10.251 ( 2.896 -4.443 0.000) 5.303 10.332 ( -5.198 -6.813 0.000) 8.570 10.926 ( 9.152 -6.614 0.000) 11.292 11.120 ( -9.608 -8.001 0.000) 12.504 11.982 ( 6.982 -0.599 0.000) 7.007 12.144 ( -9.205 -5.161 0.000) 10.553 14.637 ( 0.915 2.369 0.000) 2.539 14.639 ( 0.699 2.134 0.000) 2.246 14.940 ( 18.302 24.056 0.000) 30.226 15.234 ( -9.261 25.521 0.000) 27.149 16.528 ( 19.415 -8.189 0.000) 21.071 16.999 ( -26.272 -9.041 0.000) 27.784 17.826 ( 9.487 -4.675 0.000) 10.576 18.001 ( 2.661 -0.411 0.000) 2.693 18.069 ( -4.043 -1.173 0.000) 4.210 18.070 ( -15.204 -12.276 0.000) 19.541 18.624 ( 18.366 -11.546 0.000) 21.694 18.998 ( -19.457 -18.179 0.000) 26.628 ======================= Grid point 60 (21/84) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 3.290 3.290 0.000) 4.653 3.150 ( -8.857 -8.857 0.000) 12.526 3.277 ( 4.517 4.517 0.000) 6.388 3.343 ( -2.028 -2.028 0.000) 2.868 3.561 ( 0.063 0.063 0.000) 0.090 3.594 ( -3.071 -3.071 0.000) 4.343 3.619 ( 2.295 2.295 0.000) 3.246 3.663 ( 4.065 4.065 0.000) 5.749 3.700 ( -5.704 -5.704 0.000) 8.066 3.792 ( -8.361 -8.361 0.000) 11.824 4.605 ( 1.787 1.787 0.000) 2.528 4.632 ( -0.925 -0.925 0.000) 1.308 4.649 ( 5.425 5.425 0.000) 7.672 4.791 ( -8.187 -8.187 0.000) 11.579 5.069 ( -1.132 -1.132 0.000) 1.601 5.084 ( -2.564 -2.564 0.000) 3.626 5.832 ( -1.729 -1.729 0.000) 2.445 5.861 ( -4.532 -4.532 0.000) 6.409 6.046 ( -2.414 -2.414 0.000) 3.414 6.076 ( -5.534 -5.534 0.000) 7.827 7.304 ( 1.100 1.100 0.000) 1.556 7.344 ( -2.977 -2.977 0.000) 4.210 7.657 ( 1.900 1.900 0.000) 2.688 7.669 ( 0.551 0.551 0.000) 0.779 8.250 ( 9.432 9.432 0.000) 13.339 8.370 ( -1.283 -1.283 0.000) 1.814 8.533 ( 9.577 9.577 0.000) 13.543 8.645 ( 0.365 0.365 0.000) 0.516 8.933 ( 0.755 0.755 0.000) 1.067 9.014 ( -5.409 -5.409 0.000) 7.650 9.049 ( -0.066 -0.066 0.000) 0.094 9.132 ( -7.122 -7.122 0.000) 10.072 9.662 ( 4.061 4.061 0.000) 5.743 9.705 ( -0.337 -0.337 0.000) 0.477 9.898 ( 9.955 9.955 0.000) 14.078 9.997 ( 1.358 1.358 0.000) 1.921 10.202 ( -0.480 -0.480 0.000) 0.679 10.230 ( -3.341 -3.341 0.000) 4.725 10.853 ( 0.546 0.546 0.000) 0.773 10.952 ( -8.206 -8.206 0.000) 11.605 11.999 ( 2.084 2.084 0.000) 2.948 12.057 ( -3.711 -3.711 0.000) 5.247 14.670 ( 0.900 0.900 0.000) 1.273 14.670 ( 0.870 0.870 0.000) 1.230 15.413 ( 22.103 22.103 0.000) 31.258 15.625 ( 7.264 7.264 0.000) 10.273 16.386 ( 0.930 0.930 0.000) 1.315 16.674 ( -21.171 -21.171 0.000) 29.941 17.787 ( 1.049 1.049 0.000) 1.483 17.872 ( -7.496 -7.496 0.000) 10.601 18.015 ( 1.596 1.596 0.000) 2.257 18.050 ( -1.474 -1.474 0.000) 2.084 18.544 ( 2.962 2.962 0.000) 4.189 18.699 ( -11.975 -11.975 0.000) 16.936 ======================= Grid point 121 (22/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -0.000 0.000 30.338) 30.338 0.575 ( 0.000 0.000 30.338) 30.338 1.086 ( 0.000 0.000 56.930) 56.930 2.136 ( 0.000 0.000 6.945) 6.945 2.412 ( -0.000 0.000 -13.119) 13.119 2.412 ( -0.000 -0.000 -13.119) 13.119 3.196 ( 0.000 0.000 -12.583) 12.583 4.139 ( 0.000 0.000 -14.578) 14.578 4.341 ( -0.000 0.000 9.458) 9.458 4.341 ( 0.000 -0.000 9.458) 9.458 4.897 ( 0.000 0.000 13.157) 13.157 5.178 ( 0.000 0.000 -4.933) 4.933 5.178 ( -0.000 -0.000 -4.933) 4.933 6.055 ( -0.000 -0.000 -8.095) 8.095 6.204 ( 0.000 0.000 4.871) 4.871 6.204 ( 0.000 0.000 4.871) 4.871 6.466 ( 0.000 0.000 9.276) 9.276 6.609 ( 0.000 0.000 -0.507) 0.507 6.609 ( 0.000 0.000 -0.507) 0.507 6.955 ( 0.000 -0.000 -8.185) 8.185 6.955 ( 0.000 0.000 -8.185) 8.185 7.242 ( 0.000 0.000 2.850) 2.850 7.242 ( -0.000 -0.000 2.850) 2.850 7.678 ( -0.000 -0.000 -9.350) 9.350 8.354 ( 0.000 0.000 8.404) 8.404 8.559 ( 0.000 0.000 1.168) 1.168 8.559 ( 0.000 -0.000 1.168) 1.168 8.563 ( 0.000 0.000 3.513) 3.513 8.912 ( 0.000 0.000 -2.325) 2.325 9.073 ( 0.000 0.000 -7.342) 7.342 9.073 ( 0.000 0.000 -7.342) 7.342 9.110 ( 0.000 0.000 -1.555) 1.555 9.305 ( 0.000 0.000 2.872) 2.872 9.557 ( 0.000 0.000 3.631) 3.631 9.557 ( 0.000 0.000 3.631) 3.631 9.751 ( 0.000 0.000 2.649) 2.649 9.751 ( 0.000 0.000 2.649) 2.649 10.014 ( 0.000 0.000 -9.285) 9.285 10.780 ( 0.000 0.000 2.987) 2.987 11.340 ( 0.000 0.000 -9.901) 9.901 13.079 ( -0.000 -0.000 3.170) 3.170 13.161 ( -0.000 -0.000 0.209) 0.209 14.338 ( 0.000 0.000 -2.133) 2.133 14.338 ( 0.000 0.000 -2.133) 2.133 14.692 ( -0.000 -0.000 9.934) 9.934 15.545 ( 0.000 0.000 -4.662) 4.662 15.834 ( 0.000 0.000 8.518) 8.518 15.834 ( -0.000 -0.000 8.518) 8.518 17.175 ( 0.000 0.000 -6.007) 6.007 17.175 ( 0.000 -0.000 -6.007) 6.007 18.066 ( 0.000 0.000 1.838) 1.838 18.371 ( 0.000 0.000 -3.114) 3.114 21.042 ( -0.000 -0.000 1.920) 1.920 21.249 ( 0.000 0.000 -1.475) 1.475 ======================= Grid point 122 (23/84) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 23.867 0.000 20.886) 31.715 0.960 ( 30.358 0.000 17.627) 35.104 1.482 ( 34.245 0.000 39.748) 52.466 2.266 ( 13.085 0.000 5.914) 14.359 2.502 ( 8.610 0.000 -12.258) 14.980 2.565 ( 14.564 0.000 -13.743) 20.025 3.214 ( 1.940 0.000 -11.795) 11.953 4.016 ( -9.289 0.000 -5.692) 10.894 4.383 ( 0.779 0.000 3.618) 3.701 4.387 ( 4.593 0.000 9.518) 10.568 4.793 ( -7.325 0.000 10.921) 13.150 5.103 ( -7.515 0.000 -4.750) 8.890 5.280 ( 7.857 0.000 -3.735) 8.700 5.981 ( -7.360 0.000 -8.673) 11.375 6.268 ( 4.215 0.000 3.538) 5.504 6.335 ( 12.671 0.000 5.135) 13.672 6.470 ( 0.165 0.000 7.897) 7.898 6.555 ( -7.156 0.000 -0.643) 7.185 6.560 ( -4.715 0.000 -0.008) 4.715 6.997 ( 4.110 0.000 -8.092) 9.076 7.159 ( -1.727 0.000 -2.663) 3.174 7.263 ( 1.937 0.000 3.737) 4.209 7.310 ( 16.996 0.000 -18.491) 25.115 7.750 ( 5.010 0.000 -7.618) 9.118 8.213 ( -10.743 0.000 5.669) 12.147 8.494 ( -9.447 0.000 2.999) 9.912 8.541 ( -1.598 0.000 1.394) 2.120 8.618 ( 2.346 0.000 1.059) 2.573 8.790 ( -15.805 0.000 1.850) 15.913 8.821 ( -7.728 0.000 -2.686) 8.181 9.002 ( -6.911 0.000 -3.740) 7.858 9.063 ( -4.808 0.000 -1.683) 5.094 9.342 ( 2.882 0.000 -1.163) 3.108 9.518 ( -2.998 0.000 0.698) 3.078 9.554 ( 0.488 0.000 5.951) 5.971 9.624 ( -0.851 0.000 6.767) 6.821 9.841 ( 8.546 0.000 2.359) 8.865 10.286 ( 14.175 0.000 -17.757) 22.721 10.870 ( 8.146 0.000 3.805) 8.991 11.575 ( 13.888 0.000 -4.816) 14.699 12.341 ( -37.719 0.000 33.188) 50.241 13.136 ( -2.730 0.000 -0.935) 2.885 14.325 ( -2.362 0.000 -4.717) 5.276 14.421 ( -7.632 0.000 -6.774) 10.205 14.501 ( 6.774 0.000 6.102) 9.117 15.011 ( -31.148 0.000 3.478) 31.342 16.168 ( 13.237 0.000 4.076) 13.851 16.550 ( 33.625 0.000 -9.490) 34.938 17.064 ( -9.201 0.000 -2.418) 9.514 17.417 ( 23.559 0.000 -6.886) 24.544 18.075 ( 0.893 0.000 1.694) 1.915 18.362 ( -0.923 0.000 -2.926) 3.068 20.914 ( -12.631 0.000 1.834) 12.763 21.010 ( -13.693 0.000 6.710) 15.249 ======================= Grid point 123 (24/84) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 27.475 0.000 13.315) 30.531 1.579 ( 30.880 0.000 9.741) 32.380 2.199 ( 34.398 0.000 20.917) 40.259 2.640 ( 23.414 0.000 4.652) 23.872 2.734 ( 16.400 0.000 -9.236) 18.822 2.920 ( 19.601 0.000 -16.517) 25.632 3.276 ( 4.419 0.000 -9.856) 10.802 3.851 ( -6.104 0.000 3.448) 7.010 4.295 ( -9.876 0.000 4.392) 10.809 4.516 ( 8.310 0.000 9.576) 12.679 4.694 ( -2.302 0.000 8.158) 8.476 4.896 ( -13.135 0.000 -4.409) 13.855 5.438 ( 7.818 0.000 -4.615) 9.078 5.778 ( -12.851 0.000 -9.335) 15.883 6.269 ( -11.077 0.000 2.974) 11.469 6.385 ( -9.987 0.000 -0.622) 10.006 6.441 ( 3.362 0.000 2.990) 4.499 6.496 ( 0.033 0.000 5.861) 5.861 6.673 ( 19.913 0.000 5.774) 20.733 7.097 ( -2.730 0.000 -1.958) 3.359 7.109 ( 7.060 0.000 -7.646) 10.407 7.299 ( 0.939 0.000 6.005) 6.078 7.540 ( 5.521 0.000 -10.328) 11.711 7.770 ( -4.502 0.000 -1.842) 4.865 8.005 ( -9.144 0.000 1.871) 9.333 8.225 ( -13.358 0.000 1.718) 13.468 8.499 ( -2.824 0.000 -0.776) 2.929 8.572 ( -8.657 0.000 -4.165) 9.607 8.630 ( -3.577 0.000 -4.688) 5.896 8.661 ( -6.878 0.000 0.172) 6.881 8.853 ( -7.059 0.000 -1.303) 7.178 8.970 ( -4.169 0.000 -2.113) 4.674 9.390 ( 2.384 0.000 -1.374) 2.752 9.478 ( -0.719 0.000 -2.354) 2.461 9.604 ( 4.002 0.000 5.566) 6.856 9.658 ( 2.665 0.000 4.798) 5.488 10.051 ( 12.094 0.000 2.589) 12.368 10.515 ( 8.907 0.000 -14.758) 17.237 11.054 ( 9.697 0.000 5.426) 11.112 11.539 ( -14.060 0.000 30.814) 33.870 12.089 ( 6.041 0.000 -8.263) 10.236 13.033 ( -8.607 0.000 -4.958) 9.933 14.141 ( -16.741 0.000 -8.667) 18.851 14.293 ( -4.618 0.000 -7.674) 8.956 14.615 ( -6.733 0.000 12.334) 14.052 14.655 ( 6.775 0.000 6.551) 9.424 16.302 ( 2.375 0.000 2.200) 3.238 16.812 ( -9.521 0.000 -5.193) 10.845 17.068 ( 16.776 0.000 3.449) 17.127 17.983 ( 30.352 0.000 -8.516) 31.524 18.101 ( 1.716 0.000 1.320) 2.165 18.344 ( -0.168 0.000 -2.690) 2.695 20.569 ( -21.684 0.000 2.558) 21.834 20.799 ( -8.958 0.000 0.852) 8.998 ======================= Grid point 124 (25/84) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 26.700 0.000 9.040) 28.189 2.141 ( 25.939 0.000 6.161) 26.660 2.736 ( 19.655 0.000 7.559) 21.059 2.992 ( 17.359 0.000 -7.545) 18.928 3.248 ( 11.718 0.000 -19.438) 22.697 3.295 ( 33.405 0.000 6.927) 34.115 3.388 ( 7.112 0.000 -7.674) 10.462 3.833 ( 5.189 0.000 10.371) 11.597 4.041 ( -14.728 0.000 6.289) 16.015 4.586 ( -14.648 0.000 -2.043) 14.790 4.681 ( 0.564 0.000 7.181) 7.203 4.721 ( 8.863 0.000 7.692) 11.735 5.504 ( -14.155 0.000 -8.814) 16.675 5.571 ( 5.310 0.000 -4.741) 7.118 5.956 ( -17.718 0.000 3.581) 18.076 6.138 ( -14.611 0.000 -2.057) 14.755 6.499 ( 0.172 0.000 4.817) 4.821 6.601 ( 10.846 0.000 3.324) 11.344 7.051 ( -2.438 0.000 -2.811) 3.721 7.081 ( 19.711 0.000 3.121) 19.957 7.233 ( 1.045 0.000 5.132) 5.238 7.303 ( 4.657 0.000 -3.871) 6.056 7.486 ( -11.772 0.000 2.193) 11.975 7.658 ( -3.389 0.000 -1.027) 3.542 7.895 ( -1.910 0.000 -0.687) 2.030 8.030 ( -6.922 0.000 -1.247) 7.034 8.312 ( -15.963 0.000 -1.458) 16.029 8.435 ( -3.361 0.000 -2.623) 4.263 8.557 ( -4.149 0.000 -4.098) 5.832 8.593 ( -0.831 0.000 -7.374) 7.421 8.732 ( -5.672 0.000 1.007) 5.761 8.887 ( -5.043 0.000 -1.581) 5.285 9.448 ( 3.402 0.000 -0.395) 3.425 9.483 ( 0.880 0.000 -3.485) 3.594 9.677 ( 2.881 0.000 3.789) 4.760 9.703 ( 1.687 0.000 5.076) 5.350 10.290 ( 11.601 0.000 1.915) 11.758 10.620 ( 1.873 0.000 -9.215) 9.403 11.226 ( 7.486 0.000 6.841) 10.141 11.343 ( -4.333 0.000 21.339) 21.775 12.221 ( 5.299 0.000 -9.324) 10.724 12.789 ( -15.235 0.000 -9.724) 18.074 13.871 ( -7.919 0.000 -0.911) 7.971 14.223 ( -2.970 0.000 -10.160) 10.585 14.592 ( 1.298 0.000 11.368) 11.442 14.747 ( 2.363 0.000 14.456) 14.648 16.313 ( -0.478 0.000 -0.103) 0.489 16.601 ( -10.320 0.000 -7.621) 12.829 17.405 ( 17.483 0.000 4.727) 18.111 18.141 ( 2.280 0.000 0.887) 2.446 18.280 ( 0.049 0.000 -2.257) 2.257 18.602 ( 24.626 0.000 -14.169) 28.411 20.107 ( -23.782 0.000 7.038) 24.801 20.624 ( -9.316 0.000 -2.043) 9.537 ======================= Grid point 125 (26/84) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 24.362 0.000 6.238) 25.148 2.586 ( 19.167 0.000 4.037) 19.587 2.980 ( 6.542 0.000 1.557) 6.725 3.366 ( 18.588 0.000 -5.263) 19.319 3.386 ( 3.471 0.000 -12.457) 12.931 3.542 ( 7.418 0.000 -5.938) 9.502 3.747 ( -12.749 0.000 6.599) 14.355 3.877 ( 23.661 0.000 5.031) 24.190 4.020 ( 10.647 0.000 5.116) 11.812 4.258 ( -16.974 0.000 -2.789) 17.201 4.717 ( 3.190 0.000 8.548) 9.124 4.907 ( 6.668 0.000 8.593) 10.877 5.278 ( -6.178 0.000 -5.812) 8.482 5.622 ( -0.831 0.000 -2.319) 2.463 5.630 ( -14.108 0.000 3.141) 14.453 5.834 ( -15.519 0.000 -2.739) 15.759 6.515 ( 2.071 0.000 2.149) 2.984 6.846 ( 13.651 0.000 1.416) 13.724 6.975 ( -6.023 0.000 -3.896) 7.173 7.139 ( -4.416 0.000 6.118) 7.545 7.233 ( -10.855 0.000 4.459) 11.735 7.375 ( 7.491 0.000 -8.334) 11.206 7.562 ( 18.541 0.000 2.565) 18.717 7.594 ( -3.330 0.000 2.502) 4.165 7.850 ( -8.795 0.000 -3.645) 9.520 7.941 ( -2.350 0.000 -2.931) 3.757 8.027 ( -7.478 0.000 5.990) 9.582 8.364 ( -4.202 0.000 -0.974) 4.313 8.499 ( -1.821 0.000 -6.466) 6.718 8.581 ( -0.617 0.000 -7.723) 7.748 8.627 ( -4.630 0.000 1.741) 4.947 8.753 ( -8.624 0.000 -0.482) 8.637 9.506 ( 1.421 0.000 -3.539) 3.814 9.512 ( 2.802 0.000 -0.599) 2.865 9.711 ( 0.765 0.000 3.193) 3.284 9.725 ( 0.596 0.000 5.879) 5.909 10.484 ( 7.726 0.000 -0.159) 7.727 10.623 ( -0.575 0.000 -5.161) 5.193 11.335 ( 1.961 0.000 11.723) 11.886 11.341 ( 4.103 0.000 7.542) 8.585 12.287 ( 1.684 0.000 -7.667) 7.850 12.507 ( -11.863 0.000 -9.932) 15.471 13.824 ( 2.114 0.000 1.408) 2.540 14.160 ( -3.900 0.000 -9.928) 10.667 14.624 ( 1.648 0.000 12.323) 12.433 14.748 ( -1.948 0.000 20.058) 20.152 16.301 ( -0.487 0.000 -2.436) 2.484 16.431 ( -6.697 0.000 -8.709) 10.987 17.770 ( 19.884 0.000 -0.163) 19.885 18.187 ( 2.305 0.000 0.593) 2.380 18.265 ( -0.973 0.000 -1.215) 1.556 18.915 ( 1.558 0.000 -25.669) 25.716 19.761 ( -5.986 0.000 17.222) 18.232 20.423 ( -11.292 0.000 -1.617) 11.407 ======================= Grid point 126 (27/84) ======================= q-point: ( 0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 20.239 0.000 3.554) 20.549 2.883 ( 10.805 0.000 2.153) 11.017 3.026 ( -1.089 0.000 1.789) 2.095 3.262 ( -16.047 0.000 0.815) 16.067 3.644 ( 8.240 0.000 -4.422) 9.352 3.658 ( 6.899 0.000 -4.954) 8.494 3.704 ( 5.265 0.000 -0.720) 5.314 3.929 ( -14.942 0.000 -2.759) 15.195 4.186 ( 5.250 0.000 0.022) 5.250 4.186 ( 6.464 0.000 1.327) 6.599 4.800 ( 4.965 0.000 9.177) 10.434 4.901 ( -4.836 0.000 6.773) 8.322 5.340 ( 9.318 0.000 1.021) 9.374 5.463 ( -1.483 0.000 0.791) 1.681 5.521 ( -8.908 0.000 0.241) 8.911 5.572 ( -10.107 0.000 -1.198) 10.178 6.603 ( 7.115 0.000 -1.403) 7.252 6.784 ( -10.680 0.000 -3.870) 11.360 7.085 ( -0.917 0.000 4.420) 4.514 7.102 ( -2.160 0.000 3.430) 4.054 7.161 ( 15.966 0.000 0.424) 15.972 7.456 ( -3.244 0.000 -7.912) 8.552 7.542 ( -1.999 0.000 -0.490) 2.058 7.550 ( -11.905 0.000 -0.930) 11.942 7.873 ( 8.650 0.000 0.157) 8.652 7.923 ( -0.160 0.000 -0.841) 0.857 8.052 ( 7.862 0.000 8.453) 11.544 8.249 ( -8.375 0.000 2.963) 8.884 8.484 ( 0.874 0.000 -5.347) 5.418 8.555 ( -3.926 0.000 -7.128) 8.138 8.571 ( -0.902 0.000 -1.267) 1.555 8.588 ( -4.639 0.000 -0.337) 4.651 9.535 ( 1.320 0.000 -3.105) 3.374 9.546 ( 0.503 0.000 -1.887) 1.953 9.719 ( 0.340 0.000 4.366) 4.379 9.727 ( -0.304 0.000 5.794) 5.802 10.587 ( 2.874 0.000 -2.570) 3.855 10.614 ( -0.493 0.000 -4.042) 4.071 11.377 ( 1.701 0.000 8.279) 8.452 11.388 ( 0.774 0.000 7.630) 7.669 12.305 ( 0.821 0.000 -7.188) 7.234 12.349 ( -4.448 0.000 -8.121) 9.259 13.919 ( 6.740 0.000 -0.828) 6.791 14.057 ( -6.575 0.000 -5.915) 8.844 14.655 ( 1.681 0.000 15.278) 15.370 14.696 ( -2.627 0.000 19.383) 19.560 16.302 ( 0.757 0.000 -4.817) 4.876 16.337 ( -3.064 0.000 -7.254) 7.875 18.172 ( 16.057 0.000 -6.507) 17.325 18.245 ( -1.222 0.000 -0.823) 1.474 18.245 ( 8.499 0.000 -0.931) 8.550 18.654 ( -21.892 0.000 -16.831) 27.614 19.895 ( 13.942 0.000 8.991) 16.589 20.177 ( -13.764 0.000 1.637) 13.861 ======================= Grid point 133 (28/84) ======================= q-point: ( 0.09 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 14.984 14.984 18.311) 28.006 1.148 ( 17.703 17.703 21.402) 32.936 1.890 ( 32.217 32.217 25.999) 52.458 2.377 ( 11.320 11.320 4.776) 16.707 2.557 ( 6.852 6.852 -12.342) 15.692 2.712 ( 12.647 12.647 -13.629) 22.487 3.230 ( 1.802 1.802 -10.978) 11.270 3.960 ( -5.247 -5.247 -3.283) 8.114 4.353 ( 0.534 0.534 9.205) 9.236 4.443 ( 1.474 1.474 4.037) 4.544 4.677 ( -8.867 -8.867 9.583) 15.783 5.161 ( -0.678 -0.678 -5.343) 5.429 5.257 ( 2.058 2.058 -2.206) 3.652 5.927 ( -5.633 -5.633 -8.808) 11.876 6.241 ( 1.552 1.552 5.202) 5.646 6.419 ( -5.666 -5.666 2.021) 8.265 6.482 ( -1.536 -1.536 6.202) 6.571 6.520 ( -4.683 -4.683 1.348) 6.758 6.538 ( 10.840 10.840 0.218) 15.332 6.994 ( 1.561 1.561 -6.825) 7.174 7.109 ( -3.115 -3.115 1.929) 4.809 7.302 ( 2.925 2.925 1.353) 4.352 7.447 ( 8.099 8.099 -15.631) 19.378 7.750 ( -2.819 -2.819 -4.970) 6.371 8.066 ( -8.835 -8.835 2.153) 12.678 8.484 ( -3.876 -3.876 1.841) 5.782 8.576 ( -2.552 -2.552 -1.589) 3.944 8.590 ( 1.480 1.480 1.248) 2.437 8.599 ( -7.648 -7.648 2.940) 11.209 8.777 ( -4.738 -4.738 -2.191) 7.049 9.011 ( -4.005 -4.005 -2.304) 6.115 9.195 ( 4.235 4.235 -7.959) 9.961 9.298 ( 0.018 0.018 0.172) 0.174 9.481 ( -1.511 -1.511 1.441) 2.577 9.599 ( -1.352 -1.352 7.964) 8.190 9.629 ( 3.292 3.292 6.895) 8.319 9.860 ( 4.945 4.945 0.978) 7.062 10.334 ( 4.736 4.736 -16.818) 18.102 10.951 ( 6.967 6.967 3.544) 10.471 11.642 ( 1.893 1.893 9.216) 9.596 11.993 ( -18.997 -18.997 19.532) 33.216 13.145 ( -0.757 -0.757 -0.050) 1.072 14.334 ( -5.194 -5.194 -10.945) 13.181 14.352 ( 0.761 0.761 -2.306) 2.545 14.549 ( 3.351 3.351 4.266) 6.377 15.035 ( -14.751 -14.751 -2.516) 21.012 15.904 ( 3.413 3.413 8.862) 10.091 16.863 ( 12.474 12.474 -1.245) 17.685 17.272 ( 4.826 4.826 -6.358) 9.328 17.436 ( 14.980 14.980 -5.669) 21.930 18.077 ( 0.157 0.157 1.530) 1.546 18.350 ( -0.950 -0.950 -2.149) 2.534 20.791 ( -12.264 -12.264 1.769) 17.434 20.900 ( -8.543 -8.543 4.169) 12.780 ======================= Grid point 134 (29/84) ======================= q-point: ( 0.18 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 28.597 1.535 10.412) 30.473 1.580 ( 24.954 8.200 16.017) 30.765 2.510 ( 26.020 24.692 13.057) 38.173 2.730 ( 23.743 9.052 4.248) 25.762 2.762 ( 16.050 3.662 -9.072) 18.796 3.005 ( 15.880 7.685 -16.084) 23.873 3.291 ( 4.500 1.652 -8.896) 10.105 3.851 ( -4.500 -0.165 4.242) 6.186 4.297 ( -9.913 0.391 5.816) 11.500 4.484 ( 5.551 -3.142 9.134) 11.140 4.543 ( -4.289 -10.851 5.941) 13.093 5.022 ( -9.841 8.343 -3.168) 13.284 5.382 ( 7.242 -5.258 -3.796) 9.721 5.760 ( -11.049 -2.265 -9.055) 14.464 6.183 ( -14.467 -8.782 0.613) 16.935 6.326 ( 1.417 -4.730 3.277) 5.927 6.378 ( -5.822 -3.831 3.255) 7.692 6.463 ( -0.888 -3.264 5.166) 6.175 6.819 ( 14.847 9.854 -0.013) 17.819 7.050 ( 2.395 -1.210 -1.498) 3.074 7.099 ( 4.141 -1.252 -1.232) 4.498 7.319 ( -4.842 0.961 2.516) 5.541 7.489 ( -2.720 -9.543 -0.931) 9.967 7.671 ( 0.227 -2.401 -7.017) 7.420 7.975 ( -2.577 -0.190 0.735) 2.687 8.373 ( -7.858 3.242 0.059) 8.500 8.409 ( -8.791 -0.032 2.021) 9.021 8.513 ( -2.216 -2.849 -5.733) 6.774 8.634 ( -9.802 0.429 -1.017) 9.864 8.686 ( 3.658 -0.303 -0.218) 3.677 8.905 ( -7.242 -2.378 -1.668) 7.802 9.084 ( -6.669 14.519 -6.321) 17.182 9.396 ( 3.974 -0.833 -2.205) 4.620 9.452 ( -0.884 -4.270 -0.482) 4.387 9.624 ( 1.285 0.240 5.721) 5.868 9.670 ( 3.255 3.971 7.353) 8.968 10.026 ( 10.725 -0.750 0.983) 10.796 10.470 ( 8.159 -3.474 -13.512) 16.162 11.081 ( 4.904 1.090 6.403) 8.138 11.478 ( -10.098 -5.080 28.187) 30.369 11.948 ( 6.206 -7.962 -9.693) 13.995 13.083 ( -6.108 2.408 -2.350) 6.973 14.159 ( -13.015 0.459 -13.015) 18.411 14.365 ( -1.736 3.853 -5.137) 6.652 14.553 ( -3.056 -5.575 7.027) 9.476 14.741 ( -4.166 6.983 7.784) 11.256 16.091 ( 8.382 -8.811 5.512) 13.351 17.067 ( 2.881 6.597 -1.845) 7.432 17.182 ( -0.014 19.704 -1.329) 19.748 17.944 ( 27.954 -3.504 -6.223) 28.852 18.085 ( 1.056 -1.746 0.767) 2.180 18.333 ( -0.482 -0.778 -1.506) 1.762 20.455 ( -21.164 -11.399 2.456) 24.163 20.729 ( -8.764 -6.639 -0.943) 11.035 ======================= Grid point 135 (30/84) ======================= q-point: ( 0.27 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 26.894 3.398 6.868) 27.964 2.094 ( 26.490 -0.131 9.769) 28.234 2.888 ( 13.584 12.197 2.905) 18.485 3.048 ( 17.490 4.561 -8.093) 19.804 3.269 ( 10.138 1.802 -17.167) 20.018 3.335 ( 24.518 5.556 3.761) 25.419 3.432 ( 14.290 4.403 -3.519) 15.362 3.836 ( 3.685 0.225 10.110) 10.763 4.037 ( -15.007 -0.606 6.559) 16.389 4.437 ( -7.488 -9.672 2.382) 12.462 4.636 ( 8.110 -4.931 8.894) 13.008 4.845 ( -6.258 7.974 1.074) 10.193 5.461 ( -5.413 -4.351 -5.394) 8.794 5.556 ( -3.153 -1.685 -7.073) 7.925 5.862 ( -17.084 -9.362 1.192) 19.517 6.106 ( -14.990 -3.356 0.759) 15.380 6.444 ( -0.330 -5.310 4.103) 6.718 6.514 ( 10.205 -7.086 4.728) 13.293 6.985 ( -0.605 -4.211 -4.834) 6.440 7.116 ( -9.327 -10.236 4.782) 14.650 7.175 ( 10.613 2.278 2.041) 11.045 7.227 ( 6.982 -1.839 -6.972) 10.036 7.487 ( 0.063 -0.032 3.035) 3.036 7.720 ( 3.686 5.260 1.232) 6.540 7.932 ( -0.950 2.022 -0.170) 2.240 8.172 ( -11.176 12.559 1.364) 16.867 8.237 ( -10.479 -8.773 -0.163) 13.667 8.396 ( -12.446 2.889 -0.164) 12.778 8.507 ( 0.657 -0.542 -6.925) 6.977 8.720 ( -0.821 2.515 -2.448) 3.605 8.745 ( -7.276 0.604 -2.816) 7.826 9.001 ( -2.733 12.040 -5.099) 13.358 9.432 ( 1.141 -4.603 -0.830) 4.815 9.477 ( 2.512 -0.004 -0.658) 2.596 9.633 ( 0.654 1.575 4.511) 4.823 9.746 ( 2.883 0.975 5.222) 6.045 10.246 ( 10.963 -3.460 0.898) 11.531 10.601 ( 4.107 -2.341 -9.214) 10.356 11.136 ( 2.406 -6.706 12.253) 14.174 11.395 ( 0.214 3.125 12.694) 13.074 12.059 ( 4.539 -11.209 -8.007) 14.503 12.886 ( -13.588 5.246 -7.259) 16.274 13.920 ( -7.711 3.482 -4.849) 9.752 14.305 ( -3.158 7.878 -6.911) 10.945 14.562 ( 2.650 -3.853 8.903) 10.057 14.733 ( -0.022 0.706 12.997) 13.016 16.202 ( 3.788 -3.947 1.317) 5.627 16.894 ( -11.935 21.203 -6.343) 25.144 17.411 ( 15.269 0.974 3.549) 15.707 18.105 ( 1.744 -3.137 1.246) 3.799 18.290 ( 0.382 0.502 -1.523) 1.649 18.513 ( 23.369 -8.807 -12.670) 28.004 20.002 ( -23.477 -10.516 6.599) 26.557 20.547 ( -9.977 -7.621 -3.160) 12.946 ======================= Grid point 136 (31/84) ======================= q-point: ( 0.36 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 23.418 4.026 5.577) 24.407 2.579 ( 21.952 0.057 5.174) 22.554 3.068 ( 5.226 8.102 -0.169) 9.643 3.371 ( 8.995 0.337 -7.201) 11.528 3.411 ( 9.750 1.880 -10.694) 14.593 3.576 ( 9.464 3.842 -3.406) 10.767 3.739 ( -12.435 -0.723 6.032) 13.839 3.899 ( 19.503 1.827 4.342) 20.064 3.957 ( 6.280 -5.018 3.573) 8.797 4.244 ( -10.391 -2.333 1.965) 10.830 4.717 ( 1.366 -0.319 6.162) 6.320 4.863 ( 5.227 -3.594 7.738) 10.006 5.275 ( -6.880 -0.416 -5.392) 8.751 5.541 ( -8.476 -7.723 -0.117) 11.467 5.570 ( -6.538 -6.857 -1.184) 9.548 5.791 ( -16.347 -3.985 -0.175) 16.827 6.455 ( 2.184 -5.787 1.636) 6.398 6.755 ( 14.137 -8.985 3.687) 17.152 6.843 ( -8.959 -11.523 -4.301) 15.216 7.073 ( 1.475 0.465 4.485) 4.744 7.316 ( 3.460 -3.181 -2.413) 5.284 7.373 ( 5.821 -5.820 -1.270) 8.329 7.434 ( -4.508 6.011 3.267) 8.194 7.780 ( 0.449 5.266 -2.154) 5.707 7.906 ( -10.017 1.498 -1.603) 10.254 7.988 ( -6.764 5.266 -2.396) 8.901 8.030 ( -0.848 1.336 6.977) 7.154 8.186 ( -8.399 -5.613 0.554) 10.117 8.541 ( 2.448 3.639 -7.243) 8.468 8.622 ( -3.199 0.227 -1.290) 3.457 8.702 ( -1.742 8.884 -5.477) 10.581 8.939 ( -4.214 14.237 -1.367) 14.910 9.468 ( 2.461 -2.921 -1.452) 4.086 9.528 ( 2.422 -0.283 -0.151) 2.443 9.650 ( 0.893 -1.276 4.370) 4.639 9.764 ( -0.917 0.438 4.461) 4.575 10.436 ( 8.019 -4.078 -0.376) 9.004 10.631 ( -0.215 -0.003 -4.996) 5.001 11.218 ( 5.483 -6.921 9.412) 12.906 11.411 ( 0.319 2.106 7.461) 7.759 12.132 ( 3.464 -10.314 -6.893) 12.880 12.602 ( -13.922 4.382 -8.699) 16.991 13.879 ( 2.560 5.161 -0.391) 5.775 14.237 ( -4.203 8.172 -6.985) 11.543 14.614 ( 2.325 -1.539 10.906) 11.256 14.713 ( -1.736 -1.922 16.723) 16.922 16.269 ( 3.570 1.116 -1.775) 4.141 16.665 ( -10.833 17.968 -5.980) 21.817 17.737 ( 17.933 -3.016 -1.397) 18.239 18.149 ( 2.785 -3.130 1.111) 4.334 18.272 ( -1.426 0.019 -0.541) 1.526 18.832 ( 3.290 -8.284 -24.179) 25.769 19.650 ( -6.969 -11.060 16.485) 21.039 20.331 ( -12.112 -9.207 -2.463) 15.412 ======================= Grid point 137 (32/84) ======================= q-point: ( 0.45 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 18.270 2.289 2.926) 18.644 2.931 ( 14.109 4.202 2.913) 15.007 3.093 ( -2.577 6.381 1.148) 6.977 3.272 ( -14.925 1.196 1.179) 15.020 3.637 ( 8.706 -0.381 -4.144) 9.650 3.672 ( 6.500 -0.628 -2.531) 7.004 3.709 ( 2.495 1.764 -2.255) 3.798 3.883 ( -11.173 -4.073 -4.074) 12.571 4.169 ( 5.950 -1.513 1.666) 6.361 4.180 ( 2.570 -1.527 2.949) 4.199 4.777 ( 4.626 -2.077 7.346) 8.926 4.872 ( -4.004 -2.992 6.952) 8.562 5.290 ( 7.124 -4.439 -0.364) 8.401 5.399 ( -1.193 -6.688 0.240) 6.798 5.455 ( -8.257 -6.491 0.169) 10.504 5.507 ( -11.034 -5.719 -0.504) 12.438 6.540 ( 6.188 -6.408 -1.454) 9.026 6.680 ( -7.714 -9.114 -3.277) 12.382 7.067 ( 16.998 -9.992 1.751) 19.795 7.132 ( 4.739 5.898 4.403) 8.754 7.257 ( -7.703 11.007 5.424) 14.488 7.350 ( -5.697 -10.674 -1.611) 12.206 7.470 ( 2.292 -3.801 -0.034) 4.439 7.572 ( -11.342 1.575 -0.489) 11.461 7.842 ( 1.000 -1.220 -5.397) 5.623 7.885 ( -3.644 -2.868 -4.519) 6.475 8.080 ( 1.034 -0.897 4.371) 4.580 8.086 ( -1.461 -6.865 1.628) 7.205 8.587 ( 2.350 6.112 -7.720) 10.123 8.623 ( 0.067 9.903 -5.767) 11.460 8.692 ( 3.550 11.336 0.421) 11.886 8.824 ( -7.328 16.720 1.907) 18.354 9.520 ( 2.570 -1.130 -1.722) 3.293 9.553 ( -0.314 0.114 -1.240) 1.284 9.674 ( 1.928 -3.004 5.069) 6.200 9.723 ( -2.740 -1.555 4.652) 5.618 10.555 ( 4.248 -2.798 -2.121) 5.511 10.612 ( -1.767 -0.804 -3.333) 3.857 11.323 ( 4.721 -4.182 7.099) 9.496 11.393 ( -2.239 -0.964 6.511) 6.952 12.218 ( 5.723 -6.083 -6.693) 10.703 12.368 ( -9.726 -0.464 -7.516) 12.300 13.983 ( 7.130 6.495 -1.011) 9.698 14.128 ( -6.926 7.491 -4.275) 11.062 14.650 ( 1.440 -0.614 13.647) 13.736 14.678 ( -1.598 -1.351 16.503) 16.636 16.353 ( 5.182 6.283 -3.671) 8.934 16.480 ( -7.907 12.141 -5.047) 15.343 18.085 ( 14.200 -6.858 -8.184) 17.766 18.201 ( -0.078 -3.365 -2.164) 4.001 18.274 ( 7.013 0.246 1.048) 7.095 18.607 ( -19.886 -4.672 -14.561) 25.086 19.776 ( 14.231 -11.889 8.438) 20.373 20.070 ( -14.507 -10.787 0.913) 18.100 ======================= Grid point 145 (33/84) ======================= q-point: ( 0.18 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 16.344 16.344 9.851) 25.125 1.861 ( 18.076 18.076 13.318) 28.825 2.885 ( 9.150 9.150 -10.808) 16.860 2.913 ( 14.006 14.006 1.091) 19.837 3.070 ( 23.242 23.242 6.633) 33.532 3.192 ( 11.990 11.990 -12.786) 21.237 3.351 ( 4.928 4.928 -6.452) 9.497 3.841 ( -0.689 -0.689 7.573) 7.636 4.244 ( -9.879 -9.879 6.615) 15.457 4.379 ( -4.394 -4.394 5.258) 8.140 4.423 ( 0.310 0.310 8.843) 8.854 5.123 ( -1.891 -1.891 -4.152) 4.939 5.290 ( -0.344 -0.344 -1.864) 1.927 5.671 ( -6.912 -6.912 -8.420) 12.901 5.932 ( -15.722 -15.722 -0.780) 22.248 6.230 ( -8.535 -8.535 3.124) 12.468 6.312 ( 0.414 0.414 5.678) 5.708 6.383 ( -4.370 -4.370 3.586) 7.145 6.932 ( 1.312 1.312 -4.920) 5.258 7.057 ( 1.585 1.585 -5.284) 5.740 7.103 ( -7.956 -7.956 4.525) 12.128 7.197 ( -0.585 -0.585 1.323) 1.560 7.436 ( 3.439 3.439 0.236) 4.869 7.702 ( 4.170 4.170 -0.169) 5.899 7.968 ( -0.615 -0.615 2.081) 2.255 8.251 ( -7.889 -7.889 -0.690) 11.178 8.479 ( 1.705 1.705 -8.824) 9.148 8.554 ( 0.500 0.500 1.384) 1.554 8.600 ( -2.454 -2.454 -1.784) 3.902 8.698 ( 2.377 2.377 2.636) 4.272 8.809 ( -6.558 -6.558 1.251) 9.358 9.302 ( -4.405 -4.405 0.479) 6.248 9.346 ( 3.364 3.364 -10.785) 11.788 9.377 ( 1.186 1.186 -1.446) 2.215 9.604 ( 1.065 1.065 5.432) 5.637 9.790 ( 4.486 4.486 10.098) 11.926 10.070 ( 4.965 4.965 0.224) 7.025 10.438 ( 1.547 1.547 -13.332) 13.510 11.051 ( -3.310 -3.310 12.126) 12.998 11.423 ( -0.066 -0.066 12.936) 12.936 11.872 ( -0.685 -0.685 -6.210) 6.285 13.073 ( -4.046 -4.046 -1.266) 5.861 14.096 ( -7.430 -7.430 -10.896) 15.137 14.399 ( 1.606 1.606 -2.772) 3.583 14.478 ( -0.633 -0.633 2.047) 2.234 14.831 ( 1.317 1.317 6.326) 6.595 16.080 ( 5.196 5.196 9.913) 12.340 17.178 ( 6.694 6.694 -2.384) 9.762 17.537 ( 8.347 8.347 -7.213) 13.833 17.917 ( 6.436 6.436 -2.540) 9.450 18.046 ( -1.427 -1.427 2.075) 2.894 18.321 ( -0.560 -0.560 -0.266) 0.836 20.141 ( -19.899 -19.899 2.776) 28.278 20.561 ( -10.103 -10.103 -3.992) 14.835 ======================= Grid point 146 (34/84) ======================= q-point: ( 0.27 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 26.024 4.416 6.303) 27.138 2.245 ( 20.374 12.630 10.322) 26.100 3.090 ( 10.529 5.933 -8.442) 14.742 3.169 ( 12.212 9.093 -1.601) 15.310 3.318 ( 6.721 3.376 -14.692) 16.505 3.493 ( 10.586 8.970 -2.799) 14.155 3.596 ( 21.318 12.701 4.495) 25.218 3.835 ( 0.124 -0.571 9.357) 9.376 3.995 ( -13.621 -4.744 5.930) 15.595 4.271 ( -5.911 -6.325 5.529) 10.272 4.522 ( 7.312 -5.486 8.329) 12.367 4.975 ( -9.379 4.383 -1.257) 10.429 5.339 ( 1.043 -7.280 -2.220) 7.682 5.503 ( -8.957 -3.898 -7.722) 12.452 5.604 ( -16.658 -16.195 -0.846) 23.249 5.999 ( -14.302 -7.622 3.329) 16.545 6.311 ( -2.369 -7.595 2.670) 8.392 6.381 ( 5.919 -5.449 5.321) 9.646 6.789 ( -11.645 -13.470 -4.895) 18.467 7.052 ( 3.594 2.798 4.422) 6.348 7.129 ( 5.538 -2.313 -4.313) 7.390 7.216 ( -0.864 -3.778 -0.906) 3.980 7.506 ( 2.946 2.049 1.016) 3.729 7.788 ( 2.217 -0.311 -0.137) 2.243 7.973 ( -0.402 1.864 1.355) 2.339 8.074 ( -8.488 -6.759 0.730) 10.875 8.419 ( -9.844 10.166 0.777) 14.172 8.514 ( -9.139 7.450 2.617) 12.077 8.558 ( 4.915 5.396 -8.230) 11.000 8.640 ( -3.480 -0.840 0.400) 3.603 8.818 ( 4.630 1.008 1.107) 4.866 9.242 ( -2.947 5.391 -4.139) 7.408 9.297 ( 1.234 -1.130 -4.558) 4.855 9.485 ( 2.901 -0.336 -2.093) 3.593 9.651 ( 2.205 -2.226 3.996) 5.078 9.818 ( -0.930 7.720 8.548) 11.556 10.197 ( 7.523 -0.930 0.068) 7.581 10.528 ( 5.886 -4.440 -10.645) 12.949 11.009 ( 0.036 -5.791 11.953) 13.282 11.433 ( 0.148 0.372 5.184) 5.199 11.891 ( 2.359 -5.307 -3.876) 6.982 12.906 ( -12.794 -3.664 -3.912) 13.872 13.974 ( -2.393 2.522 -5.645) 6.630 14.463 ( 3.544 3.014 -2.573) 5.316 14.491 ( 1.758 2.134 2.454) 3.697 14.805 ( -3.487 5.708 9.205) 11.378 16.204 ( 6.585 3.081 7.741) 10.619 17.273 ( -2.485 13.063 -8.349) 15.701 17.507 ( -0.012 12.779 0.894) 12.810 18.037 ( 1.153 -3.617 1.737) 4.175 18.245 ( 15.558 -11.028 -7.179) 20.376 18.316 ( 4.375 -4.591 -1.511) 6.520 19.710 ( -22.709 -18.635 5.655) 29.916 20.340 ( -12.371 -13.075 -5.365) 18.783 ======================= Grid point 147 (35/84) ======================= q-point: ( 0.36 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 25.219 2.121 3.496) 25.549 2.646 ( 20.298 7.498 7.606) 22.937 3.245 ( 4.303 7.910 -4.178) 9.926 3.384 ( 7.718 1.624 -3.454) 8.610 3.441 ( 7.519 1.234 -10.160) 12.700 3.678 ( -0.989 3.120 1.185) 3.481 3.730 ( -2.215 2.788 1.785) 3.984 3.835 ( 0.022 -5.664 1.728) 5.922 3.967 ( 12.613 3.574 4.294) 13.795 4.158 ( -5.335 -5.760 7.512) 10.866 4.660 ( 5.600 -5.426 6.859) 10.384 4.828 ( -4.374 0.197 2.175) 4.889 5.249 ( -7.318 -3.751 -3.664) 9.003 5.308 ( -10.980 -14.739 -0.279) 18.381 5.403 ( -4.116 -8.490 -4.027) 10.258 5.688 ( -16.779 -6.588 2.784) 18.240 6.301 ( 1.446 -9.535 0.827) 9.679 6.540 ( 10.053 -11.577 4.975) 16.120 6.595 ( -7.903 -13.026 -3.642) 15.666 7.140 ( 2.929 0.109 2.518) 3.863 7.190 ( 0.571 -4.411 4.588) 6.390 7.263 ( 7.503 -4.475 -3.688) 9.483 7.534 ( -0.575 3.637 3.184) 4.868 7.761 ( -8.060 -8.136 -3.970) 12.121 7.812 ( -5.522 -1.248 -5.127) 7.638 8.037 ( -0.904 -2.337 3.159) 4.032 8.181 ( -13.296 10.303 -1.573) 16.894 8.283 ( -12.111 11.694 3.036) 17.106 8.651 ( 5.075 7.640 -7.992) 12.166 8.737 ( 10.487 12.419 2.246) 16.409 8.876 ( 1.040 6.987 -3.189) 7.750 9.189 ( -2.363 10.029 -4.244) 11.144 9.373 ( 5.190 -5.794 -1.231) 7.875 9.517 ( 1.078 -0.461 0.770) 1.402 9.662 ( -0.862 -0.648 4.071) 4.212 9.772 ( -3.801 3.462 5.671) 7.654 10.349 ( 7.563 -4.349 0.094) 8.725 10.600 ( 0.769 -3.428 -5.601) 6.611 11.073 ( 6.219 -7.662 7.521) 12.407 11.412 ( -2.353 -2.102 2.673) 4.136 11.963 ( 5.174 -6.212 -3.420) 8.778 12.613 ( -15.771 -3.191 -5.850) 17.121 14.016 ( 5.901 8.938 -2.350) 10.965 14.472 ( -2.287 14.345 -1.430) 14.596 14.564 ( 4.093 -2.473 4.502) 6.568 14.719 ( -4.358 2.743 12.050) 13.104 16.341 ( 7.697 4.878 3.805) 9.875 17.052 ( -15.035 20.106 -5.078) 25.615 17.672 ( 12.783 -2.971 -3.109) 13.487 18.082 ( 3.306 -3.351 2.317) 5.246 18.250 ( -2.737 -2.514 -0.454) 3.744 18.607 ( 7.944 -13.875 -19.389) 25.130 19.344 ( -9.666 -19.527 14.178) 25.995 20.076 ( -14.538 -16.331 -4.456) 22.314 ======================= Grid point 148 (36/84) ======================= q-point: ( 0.45 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 17.404 4.047 2.271) 18.012 3.029 ( 16.711 5.233 3.568) 17.871 3.233 ( -6.042 5.996 -0.133) 8.513 3.328 ( -11.538 5.302 3.135) 13.079 3.611 ( 6.665 -2.443 -0.520) 7.117 3.648 ( 8.411 -1.164 -5.923) 10.353 3.735 ( -4.761 -1.911 -2.747) 5.819 3.814 ( -4.831 -0.390 -2.772) 5.583 4.104 ( 1.448 -6.023 6.533) 9.003 4.122 ( 2.144 -3.584 3.013) 5.150 4.728 ( 2.803 -3.023 4.595) 6.174 4.787 ( -2.214 -5.214 5.395) 7.823 5.185 ( 2.182 -10.635 -1.334) 10.938 5.210 ( 1.416 -7.220 -1.099) 7.439 5.300 ( -5.939 -8.200 -1.379) 10.218 5.378 ( -13.437 -7.176 1.755) 15.333 6.361 ( 4.361 -11.229 -1.386) 12.125 6.462 ( -5.809 -12.513 -2.836) 14.084 6.776 ( 13.483 -17.233 4.705) 22.381 7.034 ( -11.163 -19.441 3.960) 22.765 7.312 ( 8.333 10.437 5.762) 14.545 7.417 ( 6.907 -1.561 -1.098) 7.166 7.472 ( -4.615 7.617 5.086) 10.256 7.584 ( -7.750 -0.756 -0.720) 7.820 7.794 ( 2.484 -1.759 -9.662) 10.130 7.927 ( -10.348 6.116 -5.313) 13.143 8.032 ( 0.305 0.056 0.972) 1.021 8.095 ( -6.372 6.309 0.941) 9.017 8.754 ( 5.012 10.140 -8.177) 13.957 8.835 ( -2.662 10.804 -7.031) 13.162 8.976 ( 10.016 15.659 3.012) 18.831 9.126 ( -4.917 12.751 -0.207) 13.668 9.480 ( 5.260 -3.711 -0.184) 6.440 9.536 ( 0.200 -1.929 1.037) 2.199 9.636 ( -0.961 -0.829 4.806) 4.971 9.676 ( -5.028 -1.356 4.465) 6.860 10.482 ( 5.723 -4.656 -0.477) 7.393 10.571 ( -3.254 -3.545 -2.048) 5.230 11.215 ( 7.290 -6.872 3.912) 10.755 11.339 ( -5.097 -4.627 2.463) 7.312 12.102 ( 9.078 -5.205 -4.207) 11.278 12.322 ( -13.282 -3.801 -5.455) 14.853 14.175 ( 9.559 13.162 -1.080) 16.303 14.361 ( -8.527 16.302 -1.195) 18.436 14.628 ( 2.354 -1.232 8.486) 8.892 14.663 ( -1.623 -0.304 11.482) 11.600 16.518 ( 10.626 9.262 0.771) 14.117 16.761 ( -13.930 15.126 -1.768) 20.639 17.940 ( 13.005 -7.395 -9.782) 17.875 18.114 ( -3.677 -5.218 -5.937) 8.718 18.243 ( 6.106 -3.388 4.120) 8.108 18.480 ( -14.935 -7.907 -8.734) 19.023 19.446 ( 15.017 -21.045 6.635) 26.691 19.770 ( -16.510 -19.131 -1.108) 25.295 ======================= Grid point 157 (37/84) ======================= q-point: ( 0.27 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 15.406 15.406 5.544) 22.482 2.527 ( 15.389 15.389 8.911) 23.517 3.197 ( 6.218 6.218 -8.546) 12.262 3.325 ( 6.535 6.535 -1.569) 9.374 3.391 ( 3.550 3.550 -11.821) 12.843 3.717 ( 13.207 13.207 -2.146) 18.800 3.796 ( -2.557 -2.557 4.606) 5.856 3.843 ( -9.278 -9.278 3.908) 13.690 3.847 ( 9.675 9.675 5.647) 14.801 4.169 ( -5.216 -5.216 9.309) 11.878 4.481 ( 2.019 2.019 7.621) 8.138 4.963 ( -6.004 -6.004 -1.364) 8.599 5.238 ( -2.139 -2.139 -1.522) 3.387 5.244 ( -19.127 -19.127 -1.044) 27.070 5.406 ( -6.452 -6.452 -6.777) 11.366 5.804 ( -12.191 -12.191 3.926) 17.682 6.172 ( -5.856 -5.856 1.231) 8.372 6.316 ( -1.084 -1.084 5.038) 5.266 6.539 ( -11.436 -11.436 -3.196) 16.485 7.068 ( -8.470 -8.470 2.823) 12.306 7.124 ( 1.982 1.982 -3.917) 4.816 7.173 ( 7.076 7.076 5.845) 11.589 7.554 ( 2.519 2.519 0.375) 3.582 7.734 ( -3.507 -3.507 -7.970) 9.387 7.901 ( -9.359 -9.359 -1.007) 13.273 8.000 ( -0.431 -0.431 1.324) 1.457 8.505 ( -2.437 -2.437 -2.815) 4.450 8.630 ( 4.732 4.732 1.207) 6.800 8.715 ( 7.456 7.456 -3.248) 11.034 8.762 ( 9.072 9.072 5.911) 14.127 8.816 ( 3.050 3.050 3.656) 5.654 9.154 ( -2.484 -2.484 -0.123) 3.515 9.451 ( 1.272 1.272 -1.381) 2.267 9.460 ( 2.394 2.394 -12.811) 13.251 9.608 ( -1.126 -1.126 4.052) 4.353 9.948 ( 3.284 3.284 10.606) 11.578 10.210 ( 2.017 2.017 0.559) 2.907 10.473 ( 0.036 0.036 -12.333) 12.333 10.920 ( -2.939 -2.939 9.889) 10.727 11.408 ( -2.706 -2.706 -0.591) 3.872 11.846 ( 0.401 0.401 0.051) 0.569 12.752 ( -11.217 -11.217 -2.667) 16.085 14.058 ( 6.683 6.683 -3.511) 10.082 14.475 ( 2.210 2.210 -3.414) 4.629 14.597 ( 4.498 4.498 6.040) 8.772 14.907 ( 3.462 3.462 3.154) 5.824 16.285 ( 4.941 4.941 11.627) 13.565 17.417 ( 5.193 5.193 -7.851) 10.750 17.855 ( -6.215 -6.215 -4.822) 10.025 17.895 ( 9.448 9.448 -8.200) 15.677 18.059 ( -0.280 -0.280 5.938) 5.951 18.269 ( -2.404 -2.404 0.168) 3.404 19.299 ( -22.138 -22.138 5.495) 31.786 20.050 ( -16.151 -16.151 -6.680) 23.798 ======================= Grid point 158 (38/84) ======================= q-point: ( 0.36 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 22.683 4.983 3.669) 23.512 2.831 ( 15.218 10.497 7.324) 19.885 3.326 ( 5.301 1.849 -6.312) 8.447 3.446 ( 5.762 2.952 -0.696) 6.512 3.464 ( 4.902 1.120 -7.660) 9.163 3.637 ( -10.202 -3.373 3.618) 11.338 3.717 ( -4.541 -6.359 0.543) 7.833 3.909 ( 3.404 9.093 0.816) 9.744 4.014 ( 5.530 1.429 2.092) 6.083 4.067 ( -4.240 -1.645 9.445) 10.482 4.567 ( 5.187 -2.844 6.686) 8.927 4.810 ( -7.919 -3.455 -0.608) 8.661 4.911 ( -11.602 -21.829 -0.393) 24.724 5.199 ( -3.058 -3.570 -0.779) 4.765 5.270 ( -6.714 -5.303 -5.933) 10.412 5.529 ( -15.385 -9.535 3.699) 18.474 6.102 ( -1.106 -9.937 -0.255) 10.001 6.334 ( -0.438 -9.377 2.275) 9.659 6.351 ( -4.474 -11.054 -0.084) 11.925 6.868 ( -11.287 -17.325 5.378) 21.365 7.203 ( 5.911 -1.244 -2.986) 6.739 7.344 ( 9.190 9.979 6.355) 14.981 7.593 ( 1.114 2.511 1.070) 2.948 7.682 ( -4.823 -1.653 -3.742) 6.324 7.733 ( -2.677 -4.590 -7.002) 8.790 8.019 ( 2.581 2.155 -0.722) 3.439 8.347 ( -12.219 6.778 -2.875) 14.266 8.549 ( -10.572 13.144 7.087) 18.296 8.827 ( 6.942 9.374 -7.876) 14.074 8.932 ( 5.733 -0.119 1.041) 5.827 9.032 ( 14.554 14.378 3.460) 20.748 9.194 ( 4.981 -6.583 0.702) 8.284 9.404 ( -2.464 6.394 -7.032) 9.818 9.504 ( -0.038 -0.696 -2.521) 2.616 9.602 ( -0.328 -3.422 1.912) 3.933 9.917 ( -5.668 8.919 8.108) 13.320 10.276 ( 4.616 -2.901 1.143) 5.570 10.505 ( 0.959 -5.673 -6.779) 8.891 10.921 ( 3.834 -7.601 5.058) 9.902 11.333 ( -4.913 -5.594 -3.383) 8.178 11.896 ( 4.630 -0.788 1.064) 4.816 12.500 ( -13.705 -7.625 -2.530) 15.886 14.241 ( 11.703 14.166 -1.983) 18.482 14.540 ( 3.929 0.073 -1.659) 4.265 14.657 ( 1.570 2.907 8.548) 9.164 14.908 ( -3.827 16.771 0.930) 17.227 16.416 ( 9.211 2.231 10.169) 13.901 17.393 ( -15.072 12.254 -7.065) 20.670 17.643 ( 2.990 0.083 -2.307) 3.777 18.034 ( 2.370 -0.814 3.011) 3.917 18.169 ( -2.743 -5.281 -3.749) 7.034 18.341 ( 12.303 -11.251 -9.294) 19.087 18.910 ( -13.508 -23.776 9.880) 29.075 19.714 ( -17.845 -19.799 -6.241) 27.375 ======================= Grid point 159 (39/84) ======================= q-point: ( 0.45 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 17.975 2.219 1.107) 18.145 3.124 ( 14.270 4.425 4.497) 15.603 3.304 ( -6.443 2.013 0.774) 6.794 3.437 ( -10.710 2.631 4.846) 12.046 3.564 ( 5.301 -1.490 -3.471) 6.509 3.610 ( 7.810 -3.120 -4.678) 9.624 3.661 ( -0.000 -2.858 -3.034) 4.168 3.859 ( -10.741 3.073 0.933) 11.210 3.956 ( 0.419 -8.331 9.010) 12.278 4.037 ( -4.920 -4.820 3.126) 7.564 4.641 ( 2.993 -5.581 3.143) 7.070 4.700 ( -3.446 -3.411 0.655) 4.893 4.898 ( 8.971 -14.694 1.123) 17.253 5.119 ( -8.769 -6.638 -2.713) 11.328 5.159 ( -1.206 -4.406 -0.914) 4.659 5.246 ( -10.753 -5.714 1.836) 12.315 6.123 ( 2.975 -12.309 -1.605) 12.765 6.209 ( -5.631 -12.753 -2.331) 14.135 6.450 ( 7.801 -15.066 4.739) 17.616 6.641 ( -11.208 -19.369 5.028) 22.935 7.347 ( 8.365 -3.742 -2.099) 9.401 7.497 ( 2.306 4.715 2.781) 5.940 7.528 ( -4.565 -2.040 1.048) 5.108 7.590 ( -2.017 4.117 2.964) 5.459 7.837 ( 9.941 6.208 -6.097) 13.211 8.079 ( -13.663 8.773 -3.436) 16.596 8.117 ( 7.432 8.805 -0.788) 11.549 8.316 ( -11.944 14.110 2.978) 18.724 8.951 ( 5.059 8.717 -6.978) 12.259 9.000 ( 0.589 4.802 -3.732) 6.111 9.244 ( 5.572 9.855 -0.096) 11.322 9.284 ( 1.863 1.141 -0.070) 2.186 9.394 ( 3.413 -1.417 -2.279) 4.341 9.478 ( -3.047 -3.952 -0.551) 5.020 9.619 ( 3.998 2.265 3.943) 6.054 9.764 ( -9.022 8.513 6.025) 13.790 10.378 ( 5.406 -5.573 1.413) 7.892 10.473 ( -3.792 -6.177 -0.529) 7.267 11.054 ( 8.429 -9.367 -0.794) 12.626 11.213 ( -7.272 -7.920 -3.316) 11.252 12.029 ( 8.839 -2.085 -0.176) 9.083 12.239 ( -12.352 -4.252 -1.798) 13.187 14.497 ( 13.560 18.758 -0.490) 23.151 14.616 ( 3.614 0.810 2.381) 4.403 14.658 ( -1.644 -0.141 6.446) 6.654 14.757 ( -10.824 23.311 0.758) 25.713 16.663 ( 15.820 4.160 6.592) 17.636 17.019 ( -19.712 9.496 1.993) 21.971 17.813 ( 11.054 -5.171 -9.432) 15.424 18.013 ( -7.529 -4.403 -9.148) 12.639 18.151 ( 4.871 -5.503 5.471) 9.162 18.314 ( -10.526 -8.561 -1.554) 13.657 18.987 ( 16.761 -24.326 2.658) 29.660 19.352 ( -18.936 -22.313 -3.833) 29.515 ======================= Grid point 169 (40/84) ======================= q-point: ( 0.36 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 11.477 11.477 3.283) 16.560 3.036 ( 9.903 9.903 6.149) 15.296 3.366 ( 1.621 1.621 -6.734) 7.114 3.464 ( -1.652 -1.652 -2.707) 3.575 3.475 ( 0.654 0.654 -0.183) 0.942 3.590 ( -4.243 -4.243 -0.173) 6.003 3.610 ( 0.272 0.272 3.419) 3.441 3.872 ( -5.801 -5.801 7.204) 10.918 4.017 ( -4.614 -4.614 7.648) 10.054 4.237 ( 11.760 11.760 -3.458) 16.986 4.436 ( -21.060 -21.060 -0.269) 29.785 4.574 ( 2.712 2.712 6.010) 7.129 4.734 ( -4.855 -4.855 -0.566) 6.890 5.133 ( -4.196 -4.196 -2.976) 6.638 5.163 ( -5.534 -5.534 -2.568) 8.237 5.322 ( -10.882 -10.882 3.376) 15.756 5.947 ( -5.133 -5.133 -1.454) 7.403 6.133 ( -9.471 -9.471 -2.116) 13.560 6.220 ( -3.510 -3.510 4.309) 6.574 6.542 ( -14.777 -14.777 5.268) 21.551 7.216 ( 2.566 2.566 -1.987) 4.137 7.519 ( 7.099 7.099 4.749) 11.106 7.557 ( -7.501 -7.501 -0.564) 10.622 7.635 ( 1.439 1.439 0.622) 2.128 7.798 ( 8.083 8.083 -6.377) 13.089 8.129 ( 8.837 8.837 -1.427) 12.579 8.403 ( -2.665 -2.665 -4.087) 5.559 8.719 ( 1.159 1.159 9.692) 9.830 8.918 ( 2.014 2.014 3.918) 4.844 8.993 ( 5.389 5.389 -6.752) 10.182 9.077 ( 0.369 0.369 0.058) 0.525 9.294 ( 8.241 8.241 0.035) 11.655 9.421 ( -3.225 -3.225 1.037) 4.677 9.528 ( 1.029 1.029 -13.296) 13.375 9.593 ( 4.079 4.079 3.166) 6.580 10.039 ( 1.270 1.270 7.761) 7.966 10.248 ( 0.405 0.405 2.607) 2.670 10.409 ( -3.444 -3.444 -5.349) 7.235 10.806 ( -2.583 -2.583 0.137) 3.655 11.204 ( -7.519 -7.519 -6.952) 12.704 11.922 ( 3.220 3.220 3.229) 5.583 12.334 ( -8.879 -8.879 0.018) 12.557 14.562 ( 2.003 2.003 -4.106) 4.988 14.568 ( 18.604 18.604 -0.664) 26.318 14.674 ( -0.369 -0.369 6.003) 6.026 15.219 ( 11.478 11.478 0.299) 16.235 16.450 ( 3.327 3.327 13.639) 14.428 17.426 ( -11.254 -11.254 -3.579) 16.313 17.639 ( 1.790 1.790 -4.624) 5.272 18.032 ( -0.517 -0.517 4.801) 4.857 18.144 ( -3.701 -3.701 -0.161) 5.237 18.239 ( 7.541 7.541 -9.033) 13.975 18.460 ( -19.455 -19.455 5.100) 27.982 19.320 ( -19.999 -19.999 -6.764) 29.081 ======================= Grid point 170 (41/84) ======================= q-point: ( 0.45 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 14.762 -1.129 1.214) 14.855 3.193 ( 3.673 1.440 0.708) 4.008 3.318 ( -4.230 -0.586 1.540) 4.540 3.379 ( -6.015 -5.995 0.855) 8.535 3.565 ( 4.311 1.257 -1.332) 4.684 3.582 ( 6.445 0.525 -0.245) 6.471 3.641 ( 1.462 0.693 0.751) 1.784 3.798 ( 0.860 -7.053 8.175) 10.831 3.882 ( -10.407 -2.487 5.876) 12.207 3.938 ( -18.404 -5.719 1.531) 19.333 4.538 ( 9.289 -3.196 -2.872) 10.235 4.646 ( -3.535 -2.007 -0.624) 4.112 4.697 ( 10.213 -4.606 3.891) 11.860 4.954 ( -12.994 -8.791 -0.887) 15.713 5.107 ( -0.573 -2.196 -0.356) 2.297 5.152 ( -5.459 -4.134 0.272) 6.853 5.910 ( 1.180 -8.617 -2.196) 8.971 5.981 ( -5.830 -9.952 -2.322) 11.765 6.206 ( 2.173 -9.439 4.338) 10.613 6.311 ( -8.575 -13.588 4.703) 16.741 7.297 ( 5.356 -1.113 -1.109) 5.582 7.417 ( -6.679 -4.581 -0.571) 8.119 7.618 ( 3.108 3.794 2.273) 5.406 7.649 ( -0.258 2.083 0.974) 2.313 8.002 ( 12.100 9.870 -4.345) 16.208 8.246 ( -11.688 7.326 -4.046) 14.375 8.347 ( 12.593 13.444 2.311) 18.565 8.590 ( -11.240 12.744 7.034) 18.390 8.998 ( 5.092 -2.530 1.014) 5.776 9.066 ( -0.229 0.908 -3.175) 3.310 9.162 ( 7.029 -8.479 2.678) 11.335 9.299 ( -5.843 -5.722 1.855) 8.386 9.427 ( 3.730 4.575 -6.283) 8.621 9.501 ( -3.231 4.428 -11.682) 12.904 9.753 ( 10.524 10.041 3.635) 14.993 9.952 ( -8.651 9.260 4.819) 13.557 10.284 ( 2.871 -3.300 3.212) 5.427 10.349 ( -3.371 -5.667 1.112) 6.687 10.861 ( 7.460 -9.541 -6.024) 13.527 11.037 ( -9.270 -9.813 -7.732) 15.557 12.017 ( 6.310 0.728 3.061) 7.050 12.163 ( -8.295 -3.495 1.800) 9.179 14.606 ( 2.445 0.518 -2.797) 3.751 14.650 ( -1.823 -0.546 1.053) 2.175 14.951 ( 19.107 24.501 1.062) 31.089 15.250 ( -8.805 25.377 1.446) 26.900 16.646 ( 17.298 -5.816 11.950) 21.814 17.060 ( -22.370 -6.568 6.375) 24.170 17.745 ( 8.368 -1.675 -6.872) 10.956 17.959 ( -12.400 -2.114 -6.536) 14.175 18.058 ( 2.724 -3.069 3.947) 5.693 18.152 ( -7.491 -7.465 3.318) 11.084 18.570 ( 17.901 -15.439 -5.041) 24.171 18.936 ( -19.088 -19.180 -6.198) 27.760 ======================= Grid point 181 (42/84) ======================= q-point: ( 0.45 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 2.623 2.623 0.579) 3.755 3.131 ( -6.369 -6.369 -1.788) 9.183 3.300 ( -0.620 -0.620 1.744) 1.952 3.305 ( -1.349 -1.349 -2.776) 3.368 3.605 ( 2.599 2.599 3.903) 5.361 3.622 ( 3.676 3.676 -0.331) 5.210 3.685 ( -1.901 -1.901 9.433) 9.809 3.699 ( 2.883 2.883 3.513) 5.381 3.769 ( -8.370 -8.370 4.579) 12.692 3.804 ( -6.127 -6.127 3.512) 9.350 4.567 ( 4.342 4.342 -2.854) 6.772 4.619 ( -1.113 -1.113 -1.346) 2.071 4.681 ( 2.165 2.165 2.041) 3.679 4.788 ( -7.865 -7.865 -0.274) 11.127 5.069 ( -1.104 -1.104 -0.008) 1.562 5.083 ( -2.528 -2.528 -0.097) 3.576 5.806 ( -1.802 -1.802 -2.619) 3.654 5.835 ( -4.618 -4.618 -2.619) 7.037 6.089 ( -2.338 -2.338 4.296) 5.421 6.121 ( -5.656 -5.656 4.487) 9.172 7.301 ( 1.359 1.359 -0.284) 1.942 7.344 ( -2.906 -2.906 -0.062) 4.110 7.666 ( 1.320 1.320 0.580) 1.954 7.674 ( 0.475 0.475 0.234) 0.711 8.198 ( 9.263 9.263 -4.501) 13.852 8.316 ( -1.369 -1.369 -4.794) 5.171 8.605 ( 11.926 11.926 6.863) 18.209 8.749 ( 0.379 0.379 10.508) 10.522 8.970 ( 0.635 0.635 3.460) 3.575 9.021 ( -4.153 -4.153 0.310) 5.881 9.036 ( -0.285 -0.285 -1.042) 1.117 9.153 ( -8.129 -8.129 2.662) 11.800 9.515 ( 3.397 3.397 -11.296) 12.275 9.548 ( 0.157 0.157 -12.491) 12.493 9.956 ( 9.254 9.254 2.759) 13.375 10.057 ( -0.022 -0.022 2.902) 2.902 10.264 ( 0.336 0.336 6.048) 6.067 10.274 ( -1.678 -1.678 3.653) 4.356 10.738 ( -0.854 -0.854 -11.112) 11.177 10.842 ( -9.329 -9.329 -10.515) 16.871 12.049 ( 2.268 2.268 4.427) 5.466 12.100 ( -2.911 -2.911 3.990) 5.733 14.620 ( 0.813 0.813 -4.605) 4.747 14.636 ( -0.821 -0.821 -3.091) 3.302 15.427 ( 21.690 21.690 1.207) 30.698 15.626 ( 6.824 6.824 0.086) 9.651 16.539 ( 1.153 1.153 15.091) 15.179 16.787 ( -18.426 -18.426 11.622) 28.533 17.750 ( 2.404 2.404 -3.509) 4.886 17.849 ( -7.420 -7.420 -1.854) 10.655 18.042 ( 1.025 1.025 2.191) 2.628 18.074 ( -1.750 -1.750 2.029) 3.200 18.451 ( 2.901 2.901 -9.515) 10.362 18.619 ( -12.858 -12.858 -8.031) 19.879 ======================= Grid point 242 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 0.000 28.646) 28.646 1.130 ( 0.000 0.000 28.646) 28.646 2.084 ( -0.000 -0.000 -21.091) 21.091 2.084 ( -0.000 0.000 -21.091) 21.091 2.113 ( 0.000 0.000 52.137) 52.137 2.322 ( 0.000 0.000 12.583) 12.583 2.909 ( 0.000 0.000 -16.857) 16.857 3.716 ( 0.000 0.000 -30.491) 30.491 4.554 ( -0.000 0.000 11.968) 11.968 4.554 ( 0.000 -0.000 11.968) 11.968 5.052 ( 0.000 0.000 -8.040) 8.040 5.052 ( 0.000 0.000 -8.040) 8.040 5.199 ( 0.000 0.000 17.966) 17.966 5.842 ( -0.000 -0.000 -14.223) 14.223 6.335 ( 0.000 0.000 8.997) 8.997 6.335 ( -0.000 0.000 8.997) 8.997 6.599 ( 0.000 0.000 -0.466) 0.466 6.599 ( -0.000 -0.000 -0.466) 0.466 6.723 ( 0.000 0.000 17.498) 17.498 6.762 ( 0.000 -0.000 -11.778) 11.778 6.762 ( 0.000 0.000 -11.778) 11.778 7.292 ( -0.000 -0.000 2.200) 2.200 7.292 ( 0.000 0.000 2.200) 2.200 7.431 ( 0.000 0.000 -16.474) 16.474 8.575 ( 0.000 0.000 14.523) 14.523 8.585 ( 0.000 0.000 1.297) 1.297 8.585 ( 0.000 0.000 1.297) 1.297 8.650 ( 0.000 0.000 5.433) 5.433 8.849 ( 0.000 0.000 -4.306) 4.306 8.944 ( 0.000 0.000 -5.549) 5.549 8.944 ( 0.000 0.000 -5.549) 5.549 9.044 ( -0.000 -0.000 -6.260) 6.260 9.383 ( 0.000 0.000 5.649) 5.649 9.602 ( 0.000 0.000 1.211) 1.211 9.602 ( 0.000 0.000 1.211) 1.211 9.777 ( 0.000 0.000 -14.636) 14.636 9.812 ( 0.000 0.000 3.066) 3.066 9.812 ( 0.000 0.000 3.066) 3.066 10.859 ( 0.000 0.000 5.317) 5.317 11.141 ( 0.000 0.000 -10.098) 10.098 13.133 ( 0.000 0.000 2.235) 2.235 13.164 ( 0.000 0.000 0.088) 0.088 14.296 ( -0.000 -0.000 -1.866) 1.866 14.296 ( 0.000 0.000 -1.866) 1.866 14.931 ( 0.000 0.000 14.475) 14.475 15.414 ( -0.000 -0.000 -9.375) 9.375 16.026 ( 0.000 0.000 10.340) 10.340 16.026 ( -0.000 -0.000 10.340) 10.340 17.032 ( -0.000 0.000 -8.097) 8.097 17.032 ( 0.000 -0.000 -8.097) 8.097 18.118 ( 0.000 0.000 3.622) 3.622 18.294 ( -0.000 -0.000 -4.902) 4.902 21.090 ( 0.000 0.000 3.119) 3.119 21.210 ( 0.000 0.000 -2.682) 2.682 ======================= Grid point 243 (44/84) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 16.778 0.000 25.466) 30.496 1.356 ( 20.384 0.000 23.093) 30.802 2.185 ( 10.152 0.000 -15.206) 18.283 2.229 ( 13.576 0.000 -21.199) 25.174 2.307 ( 16.477 0.000 37.896) 41.323 2.437 ( 13.306 0.000 14.018) 19.328 2.948 ( 3.913 0.000 -15.501) 15.988 3.722 ( 1.061 0.000 -25.152) 25.174 4.536 ( -2.528 0.000 10.942) 11.230 4.600 ( 4.650 0.000 11.901) 12.777 4.976 ( -5.756 0.000 3.083) 6.530 4.981 ( -7.142 0.000 -7.774) 10.557 5.249 ( 3.764 0.000 5.139) 6.370 5.765 ( -7.574 0.000 -13.871) 15.804 6.382 ( 3.948 0.000 8.383) 9.266 6.469 ( 11.531 0.000 8.427) 14.282 6.547 ( -5.506 0.000 -0.351) 5.517 6.555 ( -3.774 0.000 1.117) 3.936 6.688 ( -1.893 0.000 11.234) 11.392 6.818 ( 4.591 0.000 -8.068) 9.283 6.953 ( 15.742 0.000 -14.331) 21.288 7.167 ( -6.430 0.000 -4.719) 7.976 7.340 ( 4.608 0.000 4.386) 6.362 7.577 ( 9.149 0.000 -9.805) 13.410 8.357 ( -14.201 0.000 9.045) 16.837 8.545 ( -7.324 0.000 2.415) 7.711 8.573 ( -6.180 0.000 1.170) 6.290 8.634 ( -3.352 0.000 -0.141) 3.355 8.753 ( -13.511 0.000 -3.221) 13.889 8.766 ( -4.994 0.000 -2.311) 5.503 8.933 ( -3.350 0.000 -2.614) 4.249 9.018 ( -3.831 0.000 -3.413) 5.130 9.356 ( -0.553 0.000 2.267) 2.333 9.495 ( -5.878 0.000 -3.293) 6.737 9.646 ( 2.607 0.000 3.843) 4.644 9.709 ( -0.592 0.000 1.993) 2.079 9.897 ( 8.867 0.000 3.286) 9.456 10.055 ( 14.528 0.000 -8.138) 16.652 10.973 ( 10.259 0.000 7.113) 12.483 11.361 ( 17.953 0.000 -13.305) 22.346 12.806 ( -28.582 0.000 16.490) 32.997 13.103 ( -6.603 0.000 -2.829) 7.183 14.239 ( -6.919 0.000 -3.680) 7.836 14.262 ( -5.274 0.000 -6.028) 8.010 14.725 ( -5.032 0.000 13.019) 13.958 15.039 ( -21.441 0.000 -1.581) 21.500 16.289 ( 11.546 0.000 8.737) 14.479 16.517 ( 30.345 0.000 1.451) 30.380 16.984 ( -2.746 0.000 -3.378) 4.354 17.241 ( 21.458 0.000 -11.293) 24.248 18.123 ( 0.529 0.000 3.375) 3.417 18.288 ( -0.485 0.000 -4.622) 4.647 20.961 ( -12.583 0.000 2.997) 12.935 21.056 ( -13.111 0.000 -0.587) 13.124 ======================= Grid point 244 (45/84) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 22.055 0.000 20.384) 30.032 1.823 ( 25.277 0.000 15.558) 29.682 2.454 ( 16.285 0.000 -14.464) 21.781 2.550 ( 17.417 0.000 -21.877) 27.964 2.600 ( 14.403 0.000 14.187) 20.217 2.908 ( 30.738 0.000 23.540) 38.716 3.058 ( 7.180 0.000 -12.417) 14.343 3.783 ( 5.672 0.000 -12.281) 13.527 4.422 ( -9.411 0.000 9.126) 13.110 4.729 ( 8.000 0.000 10.648) 13.318 4.783 ( -12.346 0.000 -6.115) 13.778 4.878 ( -3.630 0.000 9.531) 10.199 5.333 ( 4.869 0.000 -5.246) 7.157 5.564 ( -12.223 0.000 -12.606) 17.559 6.329 ( -12.637 0.000 2.923) 12.970 6.378 ( -11.590 0.000 -0.390) 11.596 6.524 ( 6.551 0.000 6.103) 8.953 6.637 ( -0.710 0.000 8.275) 8.305 6.826 ( 17.693 0.000 10.070) 20.358 6.940 ( 8.414 0.000 -8.922) 12.264 7.029 ( -3.659 0.000 -5.595) 6.685 7.311 ( 14.511 0.000 -13.487) 19.811 7.448 ( 5.204 0.000 9.370) 10.718 7.712 ( 2.918 0.000 -4.029) 4.974 8.054 ( -15.392 0.000 3.416) 15.766 8.231 ( -17.763 0.000 -2.101) 17.887 8.495 ( -8.876 0.000 -3.504) 9.543 8.499 ( -3.649 0.000 -1.480) 3.937 8.533 ( -9.662 0.000 -1.792) 9.827 8.641 ( -8.709 0.000 -2.296) 9.006 8.843 ( -4.524 0.000 0.673) 4.574 8.929 ( -4.358 0.000 -2.431) 4.990 9.381 ( 2.570 0.000 0.273) 2.584 9.435 ( -0.646 0.000 -2.370) 2.457 9.699 ( 2.897 0.000 4.144) 5.056 9.731 ( 2.058 0.000 2.627) 3.337 10.116 ( 12.139 0.000 4.157) 12.831 10.318 ( 11.494 0.000 -7.554) 13.754 11.202 ( 11.853 0.000 10.180) 15.624 11.697 ( 13.841 0.000 -12.399) 18.582 12.233 ( -25.527 0.000 22.640) 34.121 12.885 ( -15.591 0.000 -10.889) 19.017 14.030 ( -11.473 0.000 -2.884) 11.830 14.137 ( -5.605 0.000 -7.686) 9.512 14.796 ( 8.462 0.000 7.055) 11.017 14.810 ( -2.890 0.000 7.554) 8.088 16.372 ( -0.979 0.000 5.437) 5.525 16.676 ( -9.439 0.000 -8.822) 12.919 17.206 ( 20.682 0.000 11.285) 23.561 17.760 ( 27.347 0.000 -14.573) 30.987 18.139 ( 1.143 0.000 2.754) 2.982 18.279 ( -0.257 0.000 -4.011) 4.019 20.635 ( -19.291 0.000 4.299) 19.765 20.787 ( -13.093 0.000 -2.327) 13.298 ======================= Grid point 245 (46/84) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 22.691 0.000 15.382) 27.414 2.302 ( 22.760 0.000 10.692) 25.146 2.768 ( 13.809 0.000 -11.101) 17.718 2.867 ( 14.305 0.000 -20.793) 25.239 2.914 ( 18.177 0.000 6.495) 19.302 3.224 ( 9.530 0.000 -9.148) 13.210 3.522 ( 29.804 0.000 15.921) 33.790 3.940 ( 9.394 0.000 -0.205) 9.396 4.183 ( -14.140 0.000 8.616) 16.558 4.497 ( -15.798 0.000 -6.647) 17.139 4.840 ( -0.056 0.000 9.268) 9.268 4.922 ( 10.766 0.000 11.529) 15.775 5.315 ( -12.239 0.000 -10.061) 15.844 5.439 ( 5.600 0.000 -9.148) 10.726 6.022 ( -17.353 0.000 3.205) 17.647 6.103 ( -15.804 0.000 -1.579) 15.883 6.615 ( -1.504 0.000 7.179) 7.335 6.687 ( 9.443 0.000 5.455) 10.906 6.966 ( -3.105 0.000 -5.716) 6.505 7.061 ( 8.037 0.000 -7.673) 11.112 7.246 ( 19.344 0.000 5.641) 20.149 7.466 ( -5.101 0.000 14.691) 15.551 7.515 ( 2.415 0.000 -1.689) 2.947 7.636 ( -6.044 0.000 0.834) 6.101 7.841 ( -4.308 0.000 -5.230) 6.776 7.976 ( -8.665 0.000 -5.957) 10.515 8.298 ( -11.111 0.000 0.405) 11.118 8.377 ( -4.823 0.000 -3.135) 5.752 8.443 ( -2.419 0.000 -6.672) 7.097 8.471 ( -7.101 0.000 -4.632) 8.478 8.758 ( -4.490 0.000 1.791) 4.833 8.846 ( -4.539 0.000 -2.526) 5.195 9.442 ( 3.335 0.000 -0.231) 3.343 9.446 ( 1.274 0.000 -0.847) 1.530 9.749 ( 1.900 0.000 3.303) 3.810 9.772 ( 1.982 0.000 2.282) 3.022 10.338 ( 9.796 0.000 3.094) 10.273 10.486 ( 5.350 0.000 -5.428) 7.621 11.407 ( 8.628 0.000 12.109) 14.868 11.739 ( -10.178 0.000 17.016) 19.828 12.012 ( 4.158 0.000 -9.228) 10.121 12.541 ( -17.452 0.000 -16.126) 23.762 13.878 ( -3.747 0.000 1.877) 4.191 14.057 ( -2.828 0.000 -7.525) 8.039 14.832 ( 3.473 0.000 12.654) 13.122 14.975 ( 8.614 0.000 8.123) 11.839 16.312 ( -4.227 0.000 0.172) 4.230 16.441 ( -12.623 0.000 -8.056) 14.975 17.556 ( 14.848 0.000 11.653) 18.875 18.168 ( 1.752 0.000 2.022) 2.675 18.175 ( 9.838 0.000 -12.988) 16.294 18.318 ( 7.538 0.000 -10.549) 12.966 20.264 ( -16.836 0.000 9.008) 19.095 20.556 ( -10.560 0.000 -5.369) 11.847 ======================= Grid point 246 (47/84) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 21.147 0.000 10.918) 23.799 2.694 ( 16.629 0.000 7.225) 18.131 2.971 ( 7.044 0.000 -3.778) 7.993 3.114 ( 10.999 0.000 -15.602) 19.089 3.284 ( 17.864 0.000 -1.721) 17.946 3.419 ( 9.655 0.000 -6.451) 11.612 3.892 ( -14.110 0.000 8.443) 16.443 4.006 ( 17.282 0.000 7.551) 18.860 4.109 ( 6.691 0.000 3.437) 7.522 4.179 ( -15.621 0.000 -5.572) 16.585 4.884 ( 4.351 0.000 8.265) 9.340 5.095 ( -2.412 0.000 6.901) 7.311 5.170 ( 7.313 0.000 -1.572) 7.480 5.532 ( 3.127 0.000 -7.579) 8.199 5.690 ( -15.243 0.000 3.048) 15.545 5.783 ( -15.906 0.000 -2.376) 16.083 6.581 ( -1.592 0.000 4.931) 5.182 6.827 ( -1.773 0.000 -5.727) 5.995 6.939 ( 6.235 0.000 2.795) 6.833 7.195 ( 4.224 0.000 -9.296) 10.211 7.307 ( -5.176 0.000 10.361) 11.582 7.342 ( -9.940 0.000 6.589) 11.926 7.625 ( 16.898 0.000 3.414) 17.239 7.655 ( -1.619 0.000 3.432) 3.795 7.762 ( -8.411 0.000 -5.004) 9.787 7.853 ( -1.559 0.000 -6.748) 6.926 8.140 ( -2.098 0.000 5.599) 5.979 8.328 ( -1.297 0.000 -2.944) 3.217 8.372 ( -3.390 0.000 -5.995) 6.888 8.408 ( -1.291 0.000 -9.292) 9.381 8.662 ( -5.111 0.000 1.979) 5.481 8.733 ( -7.146 0.000 -1.532) 7.309 9.472 ( 1.313 0.000 -0.311) 1.350 9.498 ( 2.039 0.000 -0.855) 2.211 9.776 ( 1.187 0.000 3.276) 3.484 9.807 ( 1.452 0.000 2.587) 2.967 10.483 ( 4.809 0.000 0.153) 4.811 10.537 ( 0.590 0.000 -3.520) 3.569 11.531 ( 3.959 0.000 12.112) 12.743 11.595 ( -3.527 0.000 14.833) 15.247 12.097 ( 2.937 0.000 -11.572) 11.939 12.265 ( -9.754 0.000 -14.899) 17.807 13.862 ( 1.477 0.000 2.637) 3.022 14.014 ( -1.861 0.000 -6.008) 6.290 14.915 ( 4.727 0.000 17.192) 17.830 15.098 ( 3.243 0.000 14.674) 15.028 16.226 ( -4.184 0.000 -5.460) 6.879 16.228 ( -8.141 0.000 -10.844) 13.560 17.814 ( 12.123 0.000 5.871) 13.470 18.205 ( 1.876 0.000 1.351) 2.312 18.224 ( -0.019 0.000 -4.179) 4.180 18.449 ( 0.492 0.000 -21.847) 21.852 20.040 ( -4.887 0.000 12.649) 13.560 20.365 ( -9.028 0.000 -4.824) 10.236 ======================= Grid point 247 (48/84) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 8.143 0.000 3.589) 8.899 2.957 ( 13.111 0.000 5.096) 14.067 3.058 ( 4.516 0.000 1.557) 4.777 3.236 ( -2.856 0.000 -4.169) 5.054 3.552 ( 7.702 0.000 -4.451) 8.896 3.557 ( 4.266 0.000 -4.730) 6.370 3.719 ( -0.294 0.000 2.519) 2.536 3.866 ( -13.521 0.000 -3.860) 14.061 4.203 ( 3.016 0.000 1.455) 3.348 4.214 ( 3.076 0.000 1.301) 3.340 4.979 ( 4.321 0.000 8.517) 9.551 5.035 ( -1.821 0.000 6.065) 6.333 5.377 ( 9.725 0.000 3.069) 10.198 5.481 ( -4.310 0.000 1.139) 4.458 5.519 ( -8.608 0.000 -0.556) 8.626 5.534 ( -4.461 0.000 -3.081) 5.421 6.583 ( 2.719 0.000 -0.137) 2.722 6.694 ( -7.835 0.000 -5.207) 9.407 7.121 ( 6.531 0.000 -0.223) 6.535 7.167 ( -2.334 0.000 1.643) 2.854 7.245 ( 2.814 0.000 7.036) 7.578 7.347 ( 2.755 0.000 -1.113) 2.971 7.524 ( -10.876 0.000 -1.631) 10.997 7.540 ( -6.961 0.000 0.085) 6.962 7.889 ( 7.480 0.000 1.007) 7.548 7.906 ( 3.620 0.000 -0.865) 3.722 8.192 ( 5.528 0.000 5.971) 8.137 8.289 ( -3.205 0.000 0.774) 3.297 8.335 ( 0.084 0.000 -8.286) 8.286 8.377 ( -2.532 0.000 -9.876) 10.196 8.576 ( -2.832 0.000 0.941) 2.984 8.593 ( -5.286 0.000 0.270) 5.293 9.497 ( 1.221 0.000 -0.944) 1.543 9.515 ( -0.276 0.000 -1.400) 1.427 9.803 ( 1.432 0.000 4.031) 4.277 9.821 ( -0.161 0.000 3.724) 3.727 10.534 ( 0.836 0.000 -2.591) 2.722 10.538 ( -0.027 0.000 -3.363) 3.363 11.571 ( 0.097 0.000 11.480) 11.480 11.571 ( 0.537 0.000 11.058) 11.071 12.129 ( 0.772 0.000 -10.765) 10.792 12.153 ( -2.528 0.000 -11.800) 12.067 13.913 ( 3.211 0.000 0.318) 3.227 13.972 ( -2.562 0.000 -3.180) 4.083 15.011 ( 4.917 0.000 20.784) 21.358 15.095 ( -2.990 0.000 20.727) 20.941 16.138 ( -1.221 0.000 -12.976) 13.033 16.157 ( -2.612 0.000 -10.446) 10.768 18.049 ( 11.663 0.000 -4.437) 12.478 18.205 ( -2.698 0.000 -5.184) 5.844 18.241 ( 2.126 0.000 0.192) 2.134 18.342 ( -8.675 0.000 -12.276) 15.032 20.057 ( 5.254 0.000 7.462) 9.126 20.196 ( -8.144 0.000 -0.102) 8.145 ======================= Grid point 254 (49/84) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 10.016 10.016 23.357) 27.316 1.566 ( 15.328 15.328 22.569) 31.293 2.245 ( 7.906 7.906 -19.259) 22.270 2.389 ( 12.442 12.442 -19.829) 26.510 2.517 ( 9.136 9.136 9.274) 15.904 2.520 ( 19.319 19.319 37.807) 46.646 2.985 ( 3.853 3.853 -14.091) 15.108 3.739 ( 1.959 1.959 -20.775) 20.959 4.558 ( 0.053 0.053 11.491) 11.491 4.593 ( 0.717 0.717 11.017) 11.063 4.835 ( -8.822 -8.822 4.007) 13.104 5.021 ( -1.064 -1.064 -9.235) 9.357 5.252 ( 0.895 0.895 4.040) 4.234 5.715 ( -5.259 -5.259 -13.120) 15.082 6.379 ( 1.661 1.661 9.327) 9.618 6.428 ( -8.823 -8.823 -0.853) 12.507 6.542 ( -3.433 -3.433 0.827) 4.924 6.576 ( 3.365 3.365 5.609) 7.356 6.686 ( 4.084 4.084 12.185) 13.485 6.820 ( 2.411 2.411 -11.195) 11.703 7.125 ( 8.484 8.484 -3.190) 12.415 7.175 ( 4.175 4.175 -10.645) 12.172 7.331 ( 2.089 2.089 1.432) 3.283 7.654 ( 4.227 4.227 -4.552) 7.514 8.121 ( -16.646 -16.646 3.416) 23.787 8.476 ( -8.262 -8.262 -6.028) 13.148 8.525 ( -5.770 -5.770 2.160) 8.442 8.616 ( 1.364 1.364 1.332) 2.345 8.707 ( -4.419 -4.419 6.666) 9.138 8.728 ( -3.266 -3.266 -2.527) 5.265 8.953 ( -4.714 -4.714 -4.090) 7.822 9.066 ( 3.455 3.455 -5.190) 7.128 9.304 ( -0.251 -0.251 0.099) 0.368 9.494 ( -2.449 -2.449 0.003) 3.464 9.728 ( 5.395 5.395 3.254) 8.295 9.730 ( 0.054 0.054 5.541) 5.542 9.887 ( 3.734 3.734 1.718) 5.553 10.104 ( 5.649 5.649 -8.556) 11.706 11.056 ( 7.612 7.612 7.448) 13.090 11.484 ( 10.585 10.585 -13.412) 20.099 12.460 ( -26.130 -26.130 18.956) 41.531 13.146 ( -0.868 -0.868 0.142) 1.236 14.100 ( -8.102 -8.102 -10.300) 15.407 14.308 ( 0.593 0.593 -2.024) 2.191 14.709 ( -0.733 -0.733 9.982) 10.036 14.982 ( -10.596 -10.596 -3.728) 15.441 16.104 ( 3.850 3.850 10.868) 12.156 16.911 ( 13.062 13.062 5.960) 19.410 17.120 ( 4.396 4.396 -8.647) 10.650 17.289 ( 17.327 17.327 -9.461) 26.267 18.120 ( -0.253 -0.253 2.986) 3.007 18.288 ( 0.023 0.023 -4.031) 4.031 20.837 ( -12.156 -12.156 2.976) 17.447 20.932 ( -11.099 -11.099 -0.612) 15.708 ======================= Grid point 255 (50/84) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 22.294 0.555 17.341) 28.249 1.913 ( 19.423 9.237 18.740) 28.526 2.485 ( 15.489 4.305 -16.483) 23.025 2.654 ( 13.594 8.281 -18.726) 24.577 2.731 ( 13.426 10.754 7.275) 18.677 3.021 ( 27.305 12.139 22.301) 37.286 3.101 ( 8.747 4.386 -9.300) 13.499 3.812 ( 5.671 2.923 -9.861) 11.745 4.440 ( -10.681 1.432 9.037) 14.064 4.647 ( -8.685 -9.826 3.494) 13.571 4.691 ( 5.899 -3.998 11.155) 13.237 4.956 ( -4.571 4.630 -3.205) 7.253 5.301 ( 4.024 -2.963 -3.623) 6.173 5.558 ( -10.322 -1.088 -11.384) 15.405 6.193 ( -14.561 -11.058 0.331) 18.287 6.386 ( -9.011 -1.992 2.302) 9.511 6.480 ( 4.636 -2.838 7.469) 9.238 6.560 ( -1.440 -6.409 4.540) 7.985 6.863 ( 7.972 2.712 5.179) 9.886 6.907 ( 6.391 -1.354 -10.387) 12.270 7.121 ( 0.424 5.920 -0.311) 5.944 7.400 ( 6.097 2.340 -3.084) 7.222 7.446 ( 7.916 4.747 4.556) 10.293 7.582 ( -6.975 -13.416 0.204) 15.122 7.942 ( -1.199 1.004 -5.572) 5.787 8.340 ( -5.919 -3.088 -6.041) 9.004 8.365 ( -8.775 -3.310 -1.028) 9.435 8.525 ( -8.078 3.571 5.084) 10.191 8.615 ( -8.530 2.416 -0.560) 8.883 8.691 ( -0.035 1.093 0.480) 1.195 8.843 ( -7.341 -2.978 -4.638) 9.180 8.972 ( -7.095 10.987 -4.655) 13.882 9.381 ( 5.107 0.131 0.015) 5.109 9.445 ( -1.655 -3.847 -0.449) 4.212 9.726 ( -1.134 4.718 4.552) 6.654 9.784 ( 2.722 4.251 4.499) 6.762 10.051 ( 10.924 -3.575 1.551) 11.598 10.287 ( 11.186 -3.457 -6.602) 13.441 11.223 ( 8.242 1.558 9.219) 12.464 11.700 ( 10.116 -0.231 -13.088) 16.544 11.976 ( -20.886 -17.443 19.660) 33.571 13.020 ( -12.029 7.165 -4.047) 14.574 13.942 ( -7.606 -3.678 -8.906) 12.276 14.274 ( -3.918 6.976 -3.853) 8.880 14.656 ( -1.032 -10.569 3.817) 11.285 14.892 ( 2.547 4.615 7.016) 8.776 16.218 ( 2.585 -1.821 6.834) 7.530 17.009 ( -8.521 17.378 -4.036) 19.771 17.194 ( 15.834 1.457 3.017) 16.185 17.782 ( 24.196 1.902 -9.662) 26.123 18.119 ( 0.415 -1.390 2.523) 2.911 18.290 ( 0.151 0.822 -2.915) 3.032 20.520 ( -18.907 -11.394 4.309) 22.491 20.688 ( -12.553 -9.326 -3.433) 16.010 ======================= Grid point 256 (51/84) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 24.450 -0.341 12.772) 27.587 2.309 ( 20.549 3.869 12.613) 24.419 2.802 ( 15.146 3.273 -12.152) 19.692 2.906 ( 12.246 4.545 -16.411) 20.975 3.014 ( 14.584 7.429 1.429) 16.429 3.274 ( 10.932 5.433 -6.414) 13.790 3.580 ( 26.134 5.950 14.298) 30.378 3.946 ( 6.943 0.587 0.674) 7.001 4.181 ( -14.720 -0.694 8.295) 16.911 4.437 ( -11.553 -5.059 -2.868) 12.934 4.831 ( 3.839 -4.084 10.253) 11.685 4.898 ( 2.686 0.902 4.805) 5.579 5.326 ( -10.186 0.732 -7.676) 12.775 5.405 ( 3.875 -3.463 -8.687) 10.123 5.876 ( -16.946 -11.801 0.439) 20.655 6.128 ( -15.809 -0.567 1.255) 15.869 6.533 ( -1.031 -7.346 4.260) 8.555 6.635 ( 9.355 -5.302 8.452) 13.678 6.883 ( -5.151 -6.726 -4.779) 9.727 7.052 ( 7.524 -2.789 -10.844) 13.490 7.207 ( 6.318 -1.733 2.455) 6.997 7.274 ( -7.176 -10.449 8.906) 15.492 7.528 ( 4.304 -0.799 1.011) 4.492 7.758 ( 10.520 9.389 3.090) 14.435 7.898 ( -3.733 3.834 -3.508) 6.398 8.181 ( -10.246 12.904 -1.850) 16.581 8.247 ( -6.439 -4.004 0.149) 7.584 8.366 ( -5.825 -0.647 -2.971) 6.571 8.400 ( -11.211 3.815 -1.054) 11.889 8.636 ( -5.703 9.117 -6.264) 12.445 8.701 ( -4.652 -4.885 -1.083) 6.832 8.911 ( -0.329 7.400 -3.799) 8.325 9.430 ( 0.690 -4.333 0.265) 4.395 9.474 ( 3.595 2.138 0.225) 4.189 9.704 ( -0.243 2.551 2.695) 3.719 9.839 ( 1.841 1.945 4.016) 4.827 10.265 ( 10.000 -5.554 0.989) 11.481 10.476 ( 7.066 -2.202 -4.227) 8.524 11.353 ( 4.833 -5.781 11.920) 14.102 11.680 ( -9.101 -7.241 14.417) 18.523 11.860 ( 6.231 -6.347 -12.183) 15.084 12.712 ( -17.335 10.353 -10.050) 22.554 13.847 ( -1.497 -0.797 -2.586) 3.092 14.202 ( -2.910 11.517 -3.876) 12.495 14.723 ( 6.163 -11.151 6.859) 14.470 14.966 ( 3.763 0.923 10.732) 11.410 16.207 ( -2.193 1.495 -1.314) 2.961 16.803 ( -11.688 22.660 -2.180) 25.589 17.504 ( 14.227 -4.451 6.492) 16.260 18.111 ( 4.101 -5.756 -5.499) 8.955 18.185 ( 9.001 0.627 -7.269) 11.587 18.311 ( 3.792 -0.483 -4.392) 5.822 20.152 ( -16.923 -11.125 8.808) 22.085 20.457 ( -10.918 -9.635 -6.355) 15.888 ======================= Grid point 257 (52/84) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 20.987 2.168 10.011) 23.353 2.700 ( 18.336 1.592 7.168) 19.751 3.027 ( 7.590 5.170 -4.796) 10.361 3.143 ( 11.168 2.849 -14.618) 18.616 3.288 ( 13.097 1.287 -2.801) 13.454 3.504 ( 11.333 7.197 -3.484) 13.870 3.865 ( -11.735 -2.517 6.762) 13.775 3.988 ( -0.327 -5.566 2.338) 6.046 4.046 ( 9.950 0.814 6.877) 12.123 4.246 ( -5.326 2.941 -1.818) 6.350 4.850 ( 2.230 -2.747 6.937) 7.787 5.044 ( 5.286 -6.138 10.486) 13.250 5.162 ( -2.292 0.592 -5.931) 6.386 5.476 ( 1.692 -5.858 -6.249) 8.731 5.565 ( -13.482 -10.727 0.296) 17.231 5.796 ( -17.191 -0.735 0.573) 17.216 6.508 ( -1.068 -6.922 3.920) 8.027 6.729 ( -6.699 -9.619 -6.350) 13.331 6.859 ( 11.347 -6.891 6.533) 14.796 7.162 ( 2.121 -1.000 -2.858) 3.697 7.228 ( 4.483 -1.235 1.401) 4.857 7.367 ( 7.957 -11.339 0.336) 13.857 7.542 ( -4.662 6.697 6.949) 10.717 7.744 ( -5.786 1.958 -2.929) 6.774 7.894 ( -6.839 4.435 1.206) 8.240 7.940 ( -9.532 8.166 -2.467) 12.792 8.138 ( -2.144 -0.863 3.845) 4.487 8.186 ( -7.111 -5.238 -0.504) 8.846 8.369 ( 1.592 1.421 -9.856) 10.085 8.542 ( -3.248 8.521 -5.674) 10.741 8.649 ( 0.183 4.514 -0.322) 4.529 8.909 ( -0.800 11.759 -1.562) 11.889 9.456 ( 1.916 -2.034 -0.032) 2.794 9.531 ( 2.040 2.186 0.509) 3.033 9.720 ( 1.603 -1.341 2.651) 3.376 9.843 ( -1.209 0.490 3.380) 3.623 10.424 ( 6.056 -4.272 -0.788) 7.453 10.555 ( 1.356 0.099 -2.687) 3.011 11.426 ( 3.243 -9.062 12.211) 15.548 11.584 ( -2.283 -2.856 9.548) 10.224 11.959 ( 4.455 -6.895 -10.839) 13.597 12.405 ( -13.186 7.341 -10.901) 18.617 13.873 ( 3.602 2.373 -0.198) 4.317 14.148 ( -3.006 12.210 -2.835) 12.890 14.852 ( 6.297 -8.058 12.309) 16.003 15.017 ( 1.156 -4.377 14.144) 14.851 16.180 ( 0.191 5.592 -7.947) 9.719 16.570 ( -11.515 21.666 -2.530) 24.666 17.746 ( 10.940 -5.965 3.197) 12.864 18.149 ( 0.694 -5.382 -3.563) 6.492 18.244 ( 0.369 1.272 -2.686) 2.994 18.421 ( 2.255 -2.852 -15.677) 16.094 19.920 ( -5.511 -11.970 12.391) 18.088 20.256 ( -9.667 -10.851 -5.618) 15.581 ======================= Grid point 258 (53/84) ======================= q-point: ( 0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 11.786 2.290 4.608) 12.861 2.995 ( 11.366 3.684 3.565) 12.468 3.114 ( 2.963 5.459 0.901) 6.276 3.259 ( -3.142 2.554 -3.025) 5.054 3.524 ( 10.903 0.001 -5.803) 12.351 3.643 ( 0.116 5.083 -1.938) 5.441 3.688 ( -0.264 -2.651 1.520) 3.068 3.812 ( -11.454 -4.594 -3.577) 12.849 4.212 ( 3.489 -0.269 2.389) 4.237 4.226 ( 0.698 1.077 1.724) 2.149 4.930 ( 5.009 -4.473 7.656) 10.184 5.014 ( -3.447 -2.593 6.704) 7.971 5.289 ( 8.704 -7.568 0.464) 11.544 5.403 ( -1.846 -7.594 0.102) 7.816 5.444 ( -5.362 -7.760 -1.616) 9.570 5.499 ( -11.068 -3.129 -0.192) 11.503 6.519 ( 2.667 -6.406 -0.303) 6.945 6.605 ( -5.576 -8.264 -4.197) 10.817 7.106 ( 12.395 -4.071 2.351) 13.257 7.211 ( 3.063 3.023 0.761) 4.370 7.322 ( 2.090 1.080 1.569) 2.828 7.393 ( -7.067 11.020 8.145) 15.418 7.487 ( 2.232 -4.342 1.302) 5.053 7.562 ( -9.758 1.502 -0.291) 9.877 7.748 ( -1.374 -4.650 -4.432) 6.570 7.827 ( -5.525 -11.462 -1.369) 12.797 8.085 ( -0.231 -8.530 -1.748) 8.711 8.127 ( -2.644 -5.673 0.223) 6.263 8.415 ( 3.160 6.214 -8.832) 11.252 8.482 ( -3.313 9.386 -6.892) 12.107 8.732 ( 6.875 14.851 2.453) 16.548 8.856 ( -4.804 15.985 1.293) 16.741 9.501 ( 2.488 0.400 -0.459) 2.561 9.541 ( -1.130 2.139 -0.184) 2.426 9.759 ( 2.277 -3.255 3.583) 5.349 9.805 ( -2.309 -2.310 3.514) 4.798 10.509 ( 2.964 -1.653 -2.366) 4.137 10.551 ( -1.353 0.129 -2.622) 2.953 11.491 ( 3.210 -6.841 9.943) 12.488 11.545 ( -2.219 -4.312 8.649) 9.915 12.056 ( 5.783 -3.825 -9.659) 11.890 12.195 ( -8.563 1.320 -9.804) 13.084 13.968 ( 5.546 6.026 -0.502) 8.205 14.073 ( -4.759 9.836 -1.668) 11.053 14.955 ( 4.103 -5.998 16.526) 18.053 15.011 ( -1.622 -6.253 16.812) 18.011 16.229 ( 4.863 10.823 -9.371) 15.120 16.366 ( -8.960 16.836 -6.008) 19.996 17.947 ( 9.556 -8.106 -5.025) 13.501 18.104 ( -5.592 -8.256 -8.883) 13.355 18.281 ( 3.703 2.384 -0.011) 4.404 18.375 ( -5.121 1.204 -7.163) 8.887 19.930 ( 5.250 -12.781 7.139) 15.553 20.075 ( -8.714 -12.160 -0.699) 14.976 ======================= Grid point 266 (54/84) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 12.842 12.842 14.056) 22.965 2.159 ( 14.946 14.946 17.324) 27.329 2.635 ( 10.731 10.731 -14.451) 20.956 2.837 ( 9.719 9.719 -18.193) 22.801 2.946 ( 11.083 11.083 2.263) 15.836 3.221 ( 8.670 8.670 -6.500) 13.878 3.367 ( 20.186 20.186 17.452) 33.459 3.890 ( 4.558 4.558 -3.553) 7.360 4.368 ( -11.485 -11.485 5.516) 17.153 4.503 ( -5.029 -5.029 7.420) 10.278 4.615 ( 0.055 0.055 10.138) 10.138 5.017 ( 0.170 0.170 -6.524) 6.529 5.247 ( -1.031 -1.031 -2.523) 2.914 5.498 ( -5.436 -5.436 -8.689) 11.602 5.921 ( -16.050 -16.050 -0.386) 22.701 6.286 ( -8.506 -8.506 2.380) 12.263 6.438 ( -5.219 -5.219 1.500) 7.532 6.454 ( 0.768 0.768 9.007) 9.073 6.875 ( -3.702 -3.702 -0.190) 5.239 6.915 ( 2.373 2.373 -9.395) 9.977 7.179 ( -0.352 -0.352 -2.424) 2.474 7.241 ( -10.153 -10.153 8.362) 16.616 7.444 ( 3.252 3.252 0.478) 4.624 7.712 ( 12.881 12.881 1.921) 18.317 7.992 ( 1.288 1.288 -1.012) 2.084 8.236 ( -8.566 -8.566 -0.806) 12.141 8.290 ( 0.446 0.446 -9.173) 9.194 8.576 ( -2.807 -2.807 -0.762) 4.042 8.584 ( -2.824 -2.824 1.598) 4.301 8.745 ( 3.316 3.316 2.167) 5.166 8.791 ( -0.851 -0.851 -2.823) 3.069 9.176 ( 2.226 2.226 -6.883) 7.569 9.311 ( -5.457 -5.457 0.309) 7.723 9.388 ( 1.991 1.991 1.695) 3.286 9.721 ( -0.479 -0.479 6.857) 6.890 9.946 ( 5.135 5.135 6.228) 9.567 10.072 ( 4.885 4.885 -0.183) 6.911 10.228 ( 1.263 1.263 -9.135) 9.308 11.233 ( -0.965 -0.965 8.595) 8.703 11.622 ( -6.981 -6.981 -1.009) 9.924 11.793 ( -0.727 -0.727 4.688) 4.799 13.046 ( -5.497 -5.497 -1.448) 7.907 13.888 ( -2.571 -2.571 -9.542) 10.211 14.345 ( 1.328 1.328 -2.432) 3.073 14.500 ( -2.021 -2.021 0.470) 2.896 14.971 ( 3.018 3.018 7.058) 8.248 16.306 ( 6.039 6.039 12.378) 15.038 17.137 ( 3.454 3.454 -1.720) 5.179 17.363 ( 7.705 7.705 -10.016) 14.801 17.838 ( 4.486 4.486 -4.524) 7.793 18.116 ( 1.612 1.612 4.405) 4.960 18.302 ( 0.247 0.247 -1.882) 1.914 20.216 ( -18.448 -18.448 5.194) 26.602 20.461 ( -12.937 -12.937 -6.357) 19.368 ======================= Grid point 267 (55/84) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 22.409 3.504 9.842) 24.724 2.473 ( 16.538 11.437 12.943) 23.914 2.887 ( 14.143 5.289 -11.425) 18.935 3.027 ( 9.604 7.264 -14.786) 19.069 3.157 ( 10.166 7.097 -0.878) 12.430 3.436 ( 12.710 10.659 -2.632) 16.795 3.741 ( 15.809 9.165 9.466) 20.579 3.956 ( 0.850 0.190 3.181) 3.298 4.110 ( -12.813 -7.410 5.449) 15.772 4.364 ( -6.881 -1.358 3.338) 7.767 4.704 ( 6.540 -6.489 9.912) 13.533 4.946 ( -5.561 2.245 -1.567) 6.198 5.278 ( 2.326 -6.342 -4.448) 8.088 5.351 ( -8.511 -1.268 -6.884) 11.020 5.589 ( -16.942 -17.061 -0.605) 24.051 6.056 ( -14.535 -6.745 2.327) 16.192 6.362 ( -2.694 -9.316 1.980) 9.898 6.517 ( 5.490 -5.622 8.656) 11.690 6.698 ( -11.114 -11.356 -3.701) 16.315 7.002 ( 6.170 -1.262 -8.661) 10.709 7.170 ( 1.233 -0.063 6.583) 6.698 7.188 ( 1.834 -0.525 -1.273) 2.293 7.523 ( 4.264 0.996 0.759) 4.444 7.831 ( -3.209 -5.072 4.610) 7.568 7.961 ( -6.378 1.073 -1.954) 6.756 8.098 ( -2.743 -7.024 1.178) 7.632 8.358 ( 4.638 5.105 -11.527) 13.433 8.430 ( -10.098 5.091 0.150) 11.310 8.564 ( 0.003 5.944 2.127) 6.313 8.674 ( -7.598 11.048 2.956) 13.730 8.819 ( 0.432 7.218 -1.238) 7.336 9.104 ( -2.152 10.780 -6.853) 12.955 9.276 ( 2.197 -9.068 -0.169) 9.332 9.495 ( 4.986 -0.903 2.262) 5.549 9.741 ( 1.147 -3.421 5.508) 6.584 9.923 ( -4.106 9.816 1.707) 10.776 10.193 ( 7.549 -0.862 -0.395) 7.608 10.378 ( 9.570 -7.443 -5.017) 13.121 11.201 ( -1.215 -8.168 8.535) 11.876 11.526 ( -3.235 -6.933 2.620) 8.087 11.821 ( 2.639 0.353 -2.133) 3.411 12.816 ( -16.152 -0.615 -4.823) 16.867 13.874 ( 2.310 3.612 -4.193) 5.997 14.414 ( 5.075 5.137 -2.158) 7.536 14.528 ( 3.570 -1.499 1.291) 4.082 15.000 ( -0.205 1.619 9.785) 9.920 16.361 ( 0.390 11.501 7.061) 13.501 17.175 ( -3.438 11.087 -0.259) 11.611 17.466 ( 6.550 5.056 -5.461) 9.914 17.952 ( 5.638 -9.911 -10.003) 15.168 18.185 ( 4.922 -0.667 2.498) 5.560 18.300 ( -0.005 -0.849 -1.149) 1.429 19.847 ( -17.636 -19.173 8.561) 27.421 20.204 ( -12.918 -15.352 -8.692) 21.866 ======================= Grid point 268 (56/84) ======================= q-point: ( 0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 23.246 0.945 7.013) 24.299 2.796 ( 16.231 7.749 7.662) 19.550 3.138 ( 9.607 5.018 -6.316) 12.545 3.220 ( 10.391 4.863 -11.394) 16.169 3.346 ( 9.249 4.492 -1.293) 10.363 3.666 ( 8.268 8.904 -1.207) 12.210 3.797 ( -11.564 -4.357 3.724) 12.906 3.860 ( -4.614 -6.240 0.841) 7.806 4.088 ( 7.539 1.859 7.398) 10.725 4.266 ( -3.667 -0.395 2.969) 4.735 4.794 ( 0.790 -3.251 6.142) 6.994 4.898 ( 2.571 -7.071 4.923) 8.991 5.173 ( -6.781 -0.944 -3.664) 7.765 5.297 ( -10.558 -14.960 -1.345) 18.360 5.318 ( -1.170 -9.732 -4.173) 10.654 5.735 ( -17.530 -5.481 1.910) 18.466 6.327 ( -0.719 -11.110 1.789) 11.276 6.512 ( -7.266 -11.444 -4.298) 14.221 6.669 ( 9.608 -11.606 7.951) 17.036 7.133 ( 5.425 -2.778 -6.782) 9.118 7.210 ( 4.952 -3.878 2.092) 6.629 7.304 ( 8.365 7.402 5.343) 12.382 7.592 ( 2.133 0.840 2.621) 3.482 7.682 ( -10.143 -16.023 -1.764) 19.046 7.756 ( -10.639 -1.752 -2.123) 10.989 8.062 ( -2.789 -6.119 -0.608) 6.752 8.170 ( -15.108 8.312 0.512) 17.251 8.335 ( -16.449 17.838 2.255) 24.369 8.463 ( 6.023 7.845 -10.396) 14.349 8.750 ( 1.900 12.894 -3.049) 13.385 8.833 ( 7.544 11.596 0.922) 13.865 9.121 ( 1.904 9.089 -2.374) 9.585 9.364 ( 5.939 -6.832 -0.159) 9.054 9.560 ( 2.034 0.613 3.379) 3.991 9.737 ( -1.248 -1.337 3.659) 4.090 9.842 ( -4.586 3.075 0.971) 5.607 10.345 ( 7.372 -3.306 -0.443) 8.092 10.515 ( 3.752 -4.471 -2.929) 6.530 11.217 ( 3.015 -11.228 7.008) 13.574 11.467 ( -3.147 -8.574 2.354) 9.431 11.891 ( 4.609 -0.593 -3.518) 5.828 12.485 ( -16.253 0.795 -6.557) 17.544 13.978 ( 7.797 8.528 -1.397) 11.640 14.454 ( -1.863 18.000 -0.551) 18.105 14.650 ( 8.062 -9.555 3.793) 13.064 14.967 ( -2.770 -1.888 12.636) 13.073 16.384 ( 3.155 13.344 -0.814) 13.736 17.002 ( -12.229 20.583 1.984) 24.024 17.624 ( 8.292 -5.209 -1.813) 9.959 18.009 ( -0.624 -8.307 -12.389) 14.929 18.246 ( 1.368 -1.608 0.925) 2.305 18.344 ( 3.573 -4.528 -5.949) 8.286 19.587 ( -7.431 -21.418 11.770) 25.544 19.959 ( -12.016 -18.707 -7.790) 23.559 ======================= Grid point 269 (57/84) ======================= q-point: ( 0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 14.024 3.217 4.415) 15.050 3.086 ( 10.529 5.110 2.026) 11.877 3.245 ( 2.540 6.763 1.001) 7.293 3.347 ( -2.130 6.444 -1.695) 6.995 3.533 ( 9.129 -0.105 -4.677) 10.258 3.617 ( -0.147 -3.235 1.239) 3.467 3.689 ( -5.373 -4.590 -2.205) 7.403 3.773 ( -6.057 4.181 -1.789) 7.574 4.186 ( 2.269 -2.381 3.931) 5.125 4.212 ( -1.408 -3.069 3.732) 5.033 4.826 ( 3.561 -5.623 5.151) 8.416 4.908 ( -3.360 -8.634 6.285) 11.195 5.146 ( 3.994 -6.500 -2.304) 7.969 5.201 ( 1.271 -11.364 0.188) 11.437 5.268 ( -3.189 -9.033 -2.136) 9.815 5.406 ( -14.573 -6.134 1.114) 15.850 6.339 ( 1.950 -11.569 -0.699) 11.753 6.401 ( -4.300 -11.808 -3.213) 12.971 6.891 ( 12.665 -16.139 7.027) 21.685 7.120 ( -8.028 -13.522 4.179) 16.271 7.373 ( 9.727 -5.557 -2.231) 11.423 7.461 ( 5.223 7.809 7.977) 12.325 7.555 ( -6.608 0.215 -0.474) 6.628 7.583 ( -0.910 3.002 -0.871) 3.255 7.612 ( 2.453 0.303 -3.874) 4.595 7.863 ( -15.689 10.713 -0.003) 18.997 8.013 ( -0.874 -2.213 -2.937) 3.780 8.076 ( -8.147 6.512 -3.236) 10.920 8.584 ( 5.992 10.160 -8.488) 14.533 8.691 ( -4.758 11.359 -6.956) 14.144 9.033 ( 8.485 14.355 2.662) 16.886 9.131 ( -1.668 11.196 0.588) 11.335 9.490 ( 6.520 -2.419 0.814) 7.002 9.577 ( -1.092 0.816 2.904) 3.208 9.711 ( -0.869 -2.279 2.868) 3.764 9.741 ( -4.572 -1.632 1.917) 5.219 10.467 ( 4.829 -2.718 -0.947) 5.622 10.531 ( -1.575 -2.363 -1.738) 3.330 11.303 ( 5.067 -11.956 4.780) 13.837 11.396 ( -4.174 -10.638 3.046) 11.827 12.010 ( 7.777 -0.708 -4.733) 9.132 12.204 ( -12.136 -0.001 -6.048) 13.560 14.160 ( 10.159 13.640 -0.434) 17.013 14.350 ( -8.272 18.151 -0.221) 19.948 14.799 ( 6.514 -8.379 8.151) 13.382 14.901 ( -4.039 -5.446 11.987) 13.772 16.509 ( 9.597 16.188 -2.370) 18.967 16.742 ( -13.388 19.944 0.617) 24.029 17.781 ( 7.820 -8.118 -6.137) 12.834 17.928 ( -6.665 -8.968 -11.884) 16.311 18.296 ( 3.657 -1.156 1.686) 4.190 18.361 ( -2.001 -2.593 -3.448) 4.756 19.572 ( 5.087 -23.078 6.203) 24.433 19.735 ( -10.456 -21.739 -2.593) 24.262 ======================= Grid point 278 (58/84) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 13.523 13.523 7.664) 20.603 2.723 ( 13.336 13.336 10.799) 21.733 3.015 ( 8.053 8.053 -9.550) 14.862 3.179 ( 7.995 7.995 -10.599) 15.498 3.295 ( 7.001 7.001 -1.358) 9.993 3.678 ( 13.296 13.296 -1.660) 18.876 3.835 ( -2.450 -2.450 1.572) 3.805 3.911 ( -10.605 -10.605 2.850) 15.266 3.994 ( 4.097 4.097 7.184) 9.229 4.344 ( -2.102 -2.102 7.613) 8.172 4.644 ( 1.050 1.050 8.585) 8.712 4.928 ( -4.956 -4.956 -2.058) 7.304 5.178 ( -2.457 -2.457 -5.259) 6.303 5.224 ( -19.074 -19.074 -0.940) 26.991 5.299 ( -4.601 -4.601 -3.323) 7.307 5.868 ( -12.253 -12.253 2.484) 17.506 6.194 ( -7.189 -7.189 0.775) 10.196 6.441 ( -1.762 -1.762 7.468) 7.872 6.478 ( -10.563 -10.563 -2.710) 15.182 7.020 ( 3.183 3.183 -6.598) 7.987 7.130 ( -3.012 -3.012 3.667) 5.621 7.296 ( 9.432 9.432 4.576) 14.102 7.562 ( 2.623 2.623 0.415) 3.733 7.623 ( -12.581 -12.581 -1.639) 17.867 7.880 ( -9.195 -9.195 -1.101) 13.051 7.994 ( -2.415 -2.415 -1.694) 3.812 8.460 ( -3.110 -3.110 -1.623) 4.688 8.476 ( 7.259 7.259 -11.055) 15.086 8.777 ( 13.912 13.912 4.361) 20.152 8.890 ( 3.611 3.611 3.895) 6.422 8.911 ( 4.375 4.375 7.859) 10.002 9.143 ( -2.390 -2.390 -1.186) 3.582 9.248 ( 1.504 1.504 -9.196) 9.439 9.468 ( 1.844 1.844 3.312) 4.215 9.676 ( -2.079 -2.079 3.002) 4.202 10.104 ( 2.495 2.495 5.637) 6.650 10.223 ( 2.788 2.788 0.762) 4.015 10.246 ( -0.041 -0.041 -11.328) 11.329 11.070 ( -4.994 -4.994 5.828) 9.157 11.399 ( -6.356 -6.356 -0.362) 8.995 11.847 ( 2.250 2.250 0.078) 3.182 12.695 ( -10.694 -10.694 -2.896) 15.398 13.992 ( 8.556 8.556 -2.897) 12.442 14.410 ( 1.893 1.893 -2.950) 3.983 14.689 ( 9.561 9.561 2.907) 13.830 15.008 ( -1.091 -1.091 6.769) 6.943 16.550 ( 6.052 6.052 14.583) 16.909 17.258 ( 2.814 2.814 -7.839) 8.791 17.696 ( 8.824 8.824 -11.619) 17.052 17.759 ( -5.044 -5.044 -4.411) 8.388 18.170 ( -0.431 -0.431 5.215) 5.251 18.269 ( -2.151 -2.151 -0.425) 3.072 19.439 ( -20.883 -20.883 8.998) 30.873 19.883 ( -16.756 -16.756 -10.351) 25.859 ======================= Grid point 279 (59/84) ======================= q-point: ( 0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 20.505 4.441 5.465) 21.680 2.975 ( 12.034 9.816 6.624) 16.883 3.202 ( 10.127 1.860 -6.092) 11.963 3.329 ( 7.160 6.007 -5.993) 11.102 3.436 ( 7.386 3.739 -0.343) 8.285 3.696 ( -10.262 -4.691 2.185) 11.493 3.710 ( -7.893 -6.464 -0.647) 10.222 3.905 ( 7.090 12.215 -0.848) 14.149 4.077 ( 2.991 -3.093 4.164) 5.988 4.263 ( -6.262 -0.161 9.044) 11.002 4.705 ( 2.584 -4.775 6.925) 8.799 4.797 ( -6.986 -4.866 -0.650) 8.539 4.901 ( -9.545 -20.296 -0.512) 22.435 5.150 ( -1.880 -6.719 -5.258) 8.737 5.190 ( -5.546 -1.304 -1.072) 5.797 5.586 ( -16.008 -9.505 2.143) 18.740 6.095 ( -2.628 -11.535 -0.413) 11.838 6.292 ( -8.184 -10.946 -2.550) 13.903 6.454 ( 3.071 -9.343 6.568) 11.826 7.002 ( -10.617 -15.096 8.252) 20.217 7.126 ( 6.916 -0.596 -4.362) 8.199 7.475 ( -0.470 -1.853 -7.189) 7.439 7.527 ( 13.295 13.146 5.000) 19.354 7.613 ( 2.054 1.264 0.955) 2.594 7.684 ( -9.537 -5.680 -1.128) 11.158 7.978 ( 0.959 -0.687 -3.682) 3.866 8.303 ( -12.064 5.179 -1.522) 13.217 8.615 ( 3.589 9.750 -6.719) 12.373 8.728 ( -10.357 17.442 4.609) 20.802 8.951 ( -0.516 5.588 -0.294) 5.620 9.087 ( 12.176 13.695 1.462) 18.383 9.200 ( 6.355 -4.670 0.027) 7.886 9.274 ( 3.396 1.880 -3.837) 5.458 9.540 ( 2.752 -3.424 5.328) 6.905 9.645 ( -1.056 -3.971 1.835) 4.500 9.987 ( -8.398 9.246 -1.395) 12.568 10.303 ( 5.189 -0.887 1.588) 5.498 10.381 ( 6.994 -8.682 -5.075) 12.249 11.009 ( -0.940 -9.774 3.739) 10.507 11.273 ( -6.384 -10.555 -2.434) 12.573 11.910 ( 4.286 2.225 0.321) 4.840 12.448 ( -13.327 -4.198 -2.497) 14.194 14.210 ( 13.332 14.960 -1.174) 20.073 14.505 ( 6.915 -3.941 -1.742) 8.148 14.818 ( 2.671 12.156 6.175) 13.894 14.946 ( -5.502 4.581 3.818) 8.114 16.632 ( 4.807 10.217 10.158) 15.188 17.288 ( -3.185 6.507 -1.138) 7.333 17.601 ( -2.348 2.335 -2.641) 4.235 17.876 ( 0.505 -1.698 -16.021) 16.119 18.179 ( 1.395 -4.371 3.588) 5.825 18.257 ( 2.221 -4.587 -1.316) 5.263 19.101 ( -11.413 -27.287 10.140) 31.267 19.559 ( -16.052 -21.035 -9.629) 28.157 ======================= Grid point 280 (60/84) ======================= q-point: ( 0.45 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 15.400 1.119 3.274) 15.784 3.178 ( 6.252 3.487 1.044) 7.234 3.346 ( 5.047 3.036 2.795) 6.519 3.466 ( 6.183 0.988 -5.074) 8.059 3.509 ( -8.655 1.268 2.449) 9.084 3.557 ( -2.317 -3.026 -1.559) 4.117 3.622 ( 7.322 -0.313 -1.488) 7.479 3.862 ( -11.591 4.221 -0.224) 12.338 4.096 ( 0.039 -7.248 4.771) 8.677 4.140 ( -4.348 -2.782 7.024) 8.717 4.695 ( 0.478 -12.137 1.952) 12.303 4.717 ( -1.693 -5.435 1.026) 5.785 4.931 ( 7.810 -11.557 2.269) 14.132 5.074 ( -5.062 -6.160 -1.882) 8.192 5.135 ( 0.335 -3.110 -1.354) 3.409 5.275 ( -13.916 -6.687 1.154) 15.482 6.089 ( 1.818 -13.042 -1.719) 13.280 6.160 ( -5.235 -12.422 -2.459) 13.702 6.562 ( 7.909 -15.817 6.325) 18.781 6.761 ( -12.067 -19.849 6.968) 24.252 7.287 ( 9.064 -2.620 -3.988) 10.243 7.465 ( -7.972 -3.132 -4.407) 9.632 7.580 ( 4.140 2.749 -0.002) 4.970 7.637 ( -0.428 1.444 1.412) 2.065 7.785 ( 11.982 9.671 4.264) 15.978 8.034 ( -13.579 7.929 -0.874) 15.749 8.077 ( 10.145 10.958 -3.602) 15.361 8.368 ( -17.171 18.849 2.192) 25.592 8.792 ( 6.650 10.508 -8.154) 14.871 8.902 ( -4.273 9.301 -6.067) 11.898 9.239 ( 4.552 4.075 -0.196) 6.113 9.283 ( 0.370 4.909 0.900) 5.005 9.412 ( 8.640 -3.764 2.571) 9.769 9.532 ( -3.572 -6.257 4.892) 8.708 9.673 ( 4.859 2.146 1.928) 5.651 9.818 ( -8.696 7.030 -0.427) 11.190 10.403 ( 4.426 -3.571 0.995) 5.773 10.452 ( 0.117 -5.544 -1.423) 5.725 11.043 ( 4.145 -14.062 -0.293) 14.663 11.149 ( -6.169 -13.728 -2.914) 15.330 12.023 ( 7.346 1.761 -0.408) 7.565 12.203 ( -11.058 -0.044 -1.649) 11.181 14.497 ( 15.154 19.759 0.341) 24.904 14.652 ( 7.157 -4.805 1.202) 8.703 14.777 ( -10.313 23.534 1.130) 25.719 14.792 ( -5.847 -5.203 6.600) 10.238 16.806 ( 12.985 12.400 6.732) 19.176 17.094 ( -14.446 14.202 6.816) 21.374 17.650 ( 5.481 -4.814 -7.326) 10.339 17.781 ( -7.271 -4.743 -13.983) 16.459 18.231 ( 3.539 -5.408 2.764) 7.029 18.288 ( -1.106 -4.440 -1.054) 4.695 19.050 ( 5.920 -29.197 3.827) 30.036 19.262 ( -13.868 -25.211 -5.318) 29.261 ======================= Grid point 290 (61/84) ======================= q-point: ( 0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 10.130 10.130 4.189) 14.926 3.150 ( 6.602 6.602 4.832) 10.514 3.242 ( 3.115 3.115 -5.754) 7.246 3.434 ( 3.257 3.257 -0.749) 4.667 3.476 ( 1.187 1.187 0.175) 1.687 3.577 ( -4.715 -4.715 -0.553) 6.691 3.656 ( 0.271 0.271 1.513) 1.561 3.981 ( -4.776 -4.776 4.253) 7.982 4.176 ( 11.247 11.247 -2.627) 16.121 4.214 ( -5.576 -5.576 10.576) 13.192 4.435 ( -20.198 -20.198 0.381) 28.566 4.689 ( 1.146 1.146 5.480) 5.715 4.713 ( -4.986 -4.986 -1.607) 7.233 5.049 ( -4.419 -4.419 -4.368) 7.625 5.148 ( -2.946 -2.946 -0.259) 4.175 5.371 ( -11.982 -11.982 1.732) 17.033 5.913 ( -6.235 -6.235 -1.809) 9.001 6.087 ( -9.635 -9.635 -2.338) 13.825 6.322 ( -3.893 -3.893 5.612) 7.862 6.668 ( -16.007 -16.007 7.209) 23.757 7.164 ( 3.882 3.882 -3.271) 6.390 7.532 ( 5.445 5.445 -6.106) 9.828 7.546 ( -7.196 -7.196 -0.521) 10.191 7.643 ( 1.242 1.242 0.125) 1.761 7.765 ( 9.642 9.642 6.295) 15.019 8.081 ( 11.883 11.883 -3.752) 17.219 8.333 ( -3.185 -3.185 -2.685) 5.244 8.790 ( 7.457 7.457 -6.817) 12.557 8.973 ( 1.127 1.127 7.593) 7.759 9.003 ( 1.982 1.982 5.036) 5.764 9.096 ( -0.052 -0.052 3.023) 3.024 9.295 ( 0.903 0.903 -10.900) 10.975 9.314 ( 6.701 6.701 2.082) 9.703 9.459 ( -3.251 -3.251 2.202) 5.097 9.645 ( 3.771 3.771 2.994) 6.116 10.128 ( -0.839 -0.839 2.270) 2.561 10.233 ( -0.383 -0.383 -12.474) 12.486 10.316 ( 2.053 2.053 3.707) 4.708 10.836 ( -7.428 -7.428 2.931) 10.907 11.069 ( -10.096 -10.096 -6.663) 15.756 11.972 ( 4.083 4.083 1.801) 6.049 12.337 ( -6.701 -6.701 0.264) 9.481 14.484 ( 1.721 1.721 -3.448) 4.220 14.555 ( 19.349 19.349 -0.606) 27.370 14.801 ( -4.771 -4.771 6.397) 9.298 15.225 ( 12.529 12.529 0.237) 17.720 16.759 ( 4.360 4.360 16.914) 18.003 17.337 ( -0.035 -0.035 -4.898) 4.899 17.571 ( -2.724 -2.724 -2.347) 4.511 18.019 ( 7.088 7.088 -12.974) 16.395 18.110 ( -2.070 -2.070 2.892) 4.114 18.152 ( -3.338 -3.338 0.971) 4.820 18.581 ( -22.210 -22.210 7.128) 32.209 19.158 ( -19.477 -19.477 -9.373) 29.095 ======================= Grid point 291 (62/84) ======================= q-point: ( 0.45 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 10.743 -2.182 1.190) 11.027 3.186 ( -2.595 -3.010 -0.852) 4.065 3.325 ( 4.532 -4.418 -0.568) 6.355 3.415 ( -3.742 -2.424 2.637) 5.179 3.554 ( 6.516 3.148 0.165) 7.238 3.586 ( 5.025 2.237 -0.158) 5.503 3.660 ( -0.513 4.897 0.847) 4.996 3.907 ( -17.758 -1.262 0.987) 17.830 3.955 ( -0.149 -6.387 5.730) 8.582 4.081 ( -8.457 -3.993 9.801) 13.547 4.491 ( 10.772 -5.594 -1.936) 12.292 4.626 ( -4.222 -3.395 -1.416) 5.600 4.766 ( 6.581 -5.239 3.048) 8.947 4.934 ( -8.270 -7.647 -1.085) 11.315 5.100 ( -0.856 -1.594 -0.297) 1.834 5.159 ( -7.664 -5.019 0.330) 9.167 5.861 ( 0.736 -9.321 -2.549) 9.691 5.930 ( -5.988 -10.383 -2.637) 12.272 6.306 ( 2.353 -9.812 5.389) 11.439 6.418 ( -9.203 -14.138 5.804) 17.840 7.266 ( 6.280 0.365 -1.981) 6.595 7.401 ( -7.230 -3.178 -1.110) 7.975 7.629 ( 3.229 1.988 -1.668) 4.143 7.658 ( -0.035 0.757 -0.199) 0.784 7.951 ( 10.794 8.615 -0.054) 13.811 8.180 ( -11.196 6.112 -2.338) 12.968 8.391 ( 17.698 18.319 2.151) 25.562 8.725 ( -14.943 16.704 5.862) 23.166 8.970 ( 4.044 6.757 -5.513) 9.612 9.008 ( 0.626 0.623 -0.644) 1.093 9.213 ( 5.204 -3.823 0.005) 6.457 9.306 ( -3.917 -2.664 -1.072) 4.857 9.347 ( 3.400 -4.435 -0.109) 5.590 9.419 ( -2.589 -3.478 3.832) 5.787 9.786 ( 9.565 8.516 0.593) 12.820 9.978 ( -9.468 8.635 -2.189) 13.000 10.319 ( 4.104 -5.429 -2.135) 7.133 10.361 ( 0.672 -1.688 1.847) 2.591 10.764 ( 1.528 -14.065 -2.660) 14.396 10.881 ( -8.728 -13.273 -7.745) 17.673 12.070 ( 5.859 2.905 2.170) 6.891 12.199 ( -7.040 -0.584 1.685) 7.263 14.555 ( 5.197 -2.855 -2.193) 6.322 14.671 ( -6.019 -5.171 0.980) 7.996 14.972 ( 19.713 24.811 0.990) 31.704 15.275 ( -8.268 24.889 1.027) 26.246 16.928 ( 14.309 -0.842 16.047) 21.517 17.227 ( -12.142 -1.389 10.995) 16.439 17.601 ( 5.777 0.429 -8.168) 10.013 17.807 ( -15.599 6.625 -9.946) 19.651 18.114 ( 2.300 -5.203 1.595) 5.908 18.189 ( -4.152 -5.771 0.859) 7.162 18.483 ( 12.719 -25.887 -3.030) 29.001 18.796 ( -17.453 -21.225 -7.469) 28.476 ======================= Grid point 302 (63/84) ======================= q-point: ( 0.45 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 0.736 0.736 -0.751) 1.284 3.091 ( -5.036 -5.036 -2.108) 7.428 3.278 ( 0.330 0.330 -0.002) 0.466 3.336 ( -4.823 -4.823 1.962) 7.097 3.608 ( 4.255 4.255 -0.934) 6.089 3.667 ( 2.890 2.890 1.797) 4.465 3.765 ( 2.919 2.919 2.921) 5.057 3.795 ( -6.731 -6.731 0.758) 9.549 3.877 ( 0.463 0.463 9.366) 9.389 3.976 ( -6.340 -6.340 10.264) 13.629 4.515 ( 5.435 5.435 -2.334) 8.032 4.587 ( -1.400 -1.400 -1.843) 2.705 4.711 ( -0.333 -0.333 1.100) 1.196 4.782 ( -7.162 -7.162 -0.302) 10.134 5.069 ( -1.036 -1.036 -0.006) 1.466 5.082 ( -2.517 -2.517 -0.024) 3.560 5.747 ( -2.097 -2.097 -3.136) 4.316 5.776 ( -4.877 -4.877 -3.144) 7.580 6.186 ( -2.252 -2.252 5.171) 6.073 6.221 ( -5.871 -5.871 5.300) 9.850 7.293 ( 2.146 2.146 -0.534) 3.082 7.343 ( -2.758 -2.758 -0.065) 3.901 7.657 ( 0.910 0.910 -1.655) 2.096 7.666 ( 0.034 0.034 -1.133) 1.134 8.126 ( 8.348 8.348 -2.405) 12.049 8.234 ( -1.518 -1.518 -3.150) 3.812 8.741 ( 16.556 16.556 6.258) 24.236 8.962 ( 1.013 1.013 6.534) 6.689 8.997 ( 0.049 0.049 -1.415) 1.417 9.046 ( 0.377 0.377 4.537) 4.568 9.071 ( -2.605 -2.605 7.222) 8.108 9.224 ( -5.626 -5.626 2.493) 8.337 9.321 ( 0.361 0.361 -10.826) 10.838 9.346 ( -3.078 -3.078 -3.365) 5.502 9.971 ( 9.101 9.101 -0.791) 12.895 10.087 ( -0.784 -0.784 0.737) 1.332 10.281 ( 4.026 4.026 -5.867) 8.176 10.375 ( 0.826 0.826 4.710) 4.853 10.525 ( -6.759 -6.759 -8.176) 12.578 10.633 ( -11.591 -11.591 -9.046) 18.723 12.129 ( 2.854 2.854 3.434) 5.300 12.176 ( -1.811 -1.811 3.364) 4.228 14.534 ( 0.693 0.693 -3.774) 3.899 14.579 ( -3.762 -3.762 -2.472) 5.866 15.446 ( 20.726 20.726 0.638) 29.318 15.627 ( 6.047 6.047 -0.022) 8.552 16.878 ( 1.590 1.590 18.486) 18.622 17.067 ( -13.139 -13.139 16.348) 24.749 17.668 ( 5.709 5.709 -5.083) 9.540 17.822 ( -8.639 -8.639 -0.739) 12.240 18.068 ( 0.309 0.309 -0.189) 0.476 18.108 ( -1.454 -1.454 1.439) 2.510 18.218 ( 2.733 2.733 -13.757) 14.289 18.439 ( -15.332 -15.332 -9.276) 23.584 ======================= Grid point 363 (64/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 0.000 -0.000) 0.000 1.628 ( 0.000 0.000 -0.000) 0.000 1.656 ( -0.000 -0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 2.595 ( -0.000 -0.000 -16.134) 16.134 2.595 ( 0.000 0.000 16.134) 16.134 3.016 ( 0.000 0.000 -43.510) 43.510 3.016 ( -0.000 -0.000 43.510) 43.510 4.710 ( 0.000 0.000 0.000) 0.000 4.710 ( -0.000 -0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 -17.660) 17.660 5.539 ( 0.000 0.000 17.660) 17.660 6.528 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.536 ( -0.000 -0.000 -0.000) 0.000 6.536 ( 0.000 0.000 -0.000) 0.000 6.599 ( -0.000 -0.000 -0.000) 0.000 6.599 ( 0.000 0.000 -0.000) 0.000 7.083 ( 0.000 0.000 -19.879) 19.879 7.083 ( 0.000 0.000 19.879) 19.879 7.314 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 8.599 ( 0.000 0.000 0.000) 0.000 8.599 ( 0.000 0.000 0.000) 0.000 8.755 ( 0.000 0.000 -5.523) 5.523 8.755 ( -0.000 -0.000 5.523) 5.523 8.855 ( -0.000 -0.000 -13.761) 13.761 8.855 ( 0.000 0.000 13.761) 13.761 8.888 ( 0.000 0.000 0.000) 0.000 8.888 ( -0.000 -0.000 0.000) 0.000 9.530 ( 0.000 0.000 -10.556) 10.556 9.530 ( 0.000 0.000 10.556) 10.556 9.612 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 9.843 ( -0.000 -0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 10.978 ( -0.000 -0.000 -7.416) 7.416 10.978 ( 0.000 0.000 7.416) 7.416 13.160 ( 0.000 0.000 -0.689) 0.689 13.160 ( -0.000 -0.000 0.689) 0.689 14.278 ( 0.000 0.000 0.000) 0.000 14.278 ( 0.000 0.000 0.000) 0.000 15.198 ( 0.000 0.000 -13.365) 13.365 15.198 ( 0.000 0.000 13.365) 13.365 16.142 ( 0.000 0.000 0.000) 0.000 16.142 ( -0.000 -0.000 0.000) 0.000 16.938 ( 0.000 0.000 0.000) 0.000 16.938 ( 0.000 0.000 0.000) 0.000 18.199 ( 0.000 0.000 -4.906) 4.906 18.199 ( -0.000 -0.000 4.906) 4.906 21.152 ( -0.000 -0.000 -3.326) 3.326 21.152 ( 0.000 0.000 3.326) 3.326 ======================= Grid point 365 (65/84) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 13.438 0.000 -0.023) 13.438 1.771 ( 13.438 0.000 0.023) 13.438 1.814 ( 14.690 0.000 -1.411) 14.758 1.814 ( 14.690 0.000 1.411) 14.758 2.661 ( 6.475 0.000 -14.584) 15.956 2.661 ( 6.475 0.000 14.584) 15.956 3.115 ( 10.209 0.000 -38.473) 39.804 3.115 ( 10.209 0.000 38.473) 39.804 4.720 ( -0.463 0.000 -4.993) 5.014 4.720 ( -0.463 0.000 4.993) 5.014 4.900 ( -2.205 0.000 -4.483) 4.996 4.900 ( -2.205 0.000 4.483) 4.996 5.482 ( -5.469 0.000 -15.398) 16.340 5.482 ( -5.469 0.000 15.398) 16.340 6.539 ( -4.944 0.000 -0.079) 4.944 6.539 ( -4.944 0.000 0.079) 4.944 6.570 ( 3.432 0.000 -10.923) 11.450 6.570 ( 3.432 0.000 10.923) 11.450 6.698 ( 14.294 0.000 -11.974) 18.646 6.698 ( 14.294 0.000 11.974) 18.646 6.996 ( -5.756 0.000 -12.863) 14.092 6.996 ( -5.756 0.000 12.863) 14.092 7.429 ( 8.936 0.000 -4.093) 9.829 7.429 ( 8.936 0.000 4.093) 9.829 8.515 ( -11.842 0.000 -6.600) 13.557 8.515 ( -11.842 0.000 6.600) 13.557 8.600 ( -10.728 0.000 -2.112) 10.934 8.600 ( -10.728 0.000 2.112) 10.934 8.738 ( -5.654 0.000 -0.330) 5.664 8.738 ( -5.654 0.000 0.330) 5.664 8.941 ( -1.129 0.000 -3.347) 3.532 8.941 ( -1.129 0.000 3.347) 3.532 9.417 ( -4.162 0.000 -2.278) 4.745 9.417 ( -4.162 0.000 2.278) 4.745 9.702 ( 2.821 0.000 -1.410) 3.154 9.702 ( 2.821 0.000 1.410) 3.154 9.957 ( 11.313 0.000 -2.618) 11.612 9.957 ( 11.313 0.000 2.618) 11.612 11.136 ( 13.870 0.000 -10.186) 17.209 11.136 ( 13.870 0.000 10.186) 17.209 13.016 ( -14.726 0.000 -4.347) 15.354 13.016 ( -14.726 0.000 4.347) 15.354 14.205 ( -7.832 0.000 -0.021) 7.832 14.205 ( -7.832 0.000 0.021) 7.832 14.938 ( -12.363 0.000 -8.412) 14.954 14.938 ( -12.363 0.000 8.412) 14.954 16.462 ( 14.940 0.000 -3.025) 15.243 16.462 ( 14.940 0.000 3.025) 15.243 17.035 ( 14.111 0.000 -8.800) 16.630 17.035 ( 14.111 0.000 8.800) 16.630 18.199 ( 0.038 0.000 -4.499) 4.500 18.199 ( 0.038 0.000 4.499) 4.500 21.019 ( -12.531 0.000 -2.888) 12.860 21.019 ( -12.531 0.000 2.888) 12.860 ======================= Grid point 367 (66/84) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 19.005 0.000 -6.358) 20.040 2.101 ( 19.005 0.000 6.358) 20.040 2.161 ( 19.172 0.000 -2.512) 19.336 2.161 ( 19.172 0.000 2.512) 19.336 2.831 ( 10.385 0.000 -11.663) 15.616 2.831 ( 10.385 0.000 11.663) 15.616 3.411 ( 19.166 0.000 -25.770) 32.116 3.411 ( 19.166 0.000 25.770) 32.116 4.608 ( -10.636 0.000 -9.922) 14.545 4.608 ( -10.636 0.000 9.922) 14.545 4.929 ( 4.621 0.000 -6.022) 7.591 4.929 ( 4.621 0.000 6.022) 7.591 5.347 ( -7.322 0.000 -8.181) 10.979 5.347 ( -7.322 0.000 8.181) 10.979 6.366 ( -12.449 0.000 -0.291) 12.452 6.366 ( -12.449 0.000 0.291) 12.452 6.663 ( 5.341 0.000 -6.756) 8.612 6.663 ( 5.341 0.000 6.756) 8.612 6.898 ( -1.283 0.000 -5.012) 5.173 6.898 ( -1.283 0.000 5.012) 5.173 7.056 ( 17.738 0.000 -12.920) 21.945 7.056 ( 17.738 0.000 12.920) 21.945 7.612 ( 8.947 0.000 -5.788) 10.656 7.612 ( 8.947 0.000 5.788) 10.656 8.143 ( -21.556 0.000 -2.504) 21.701 8.143 ( -21.556 0.000 2.504) 21.701 8.459 ( -6.329 0.000 -0.000) 6.329 8.459 ( -6.329 0.000 0.000) 6.329 8.581 ( -9.985 0.000 -3.511) 10.584 8.581 ( -9.985 0.000 3.511) 10.584 8.878 ( -3.997 0.000 -2.534) 4.733 8.878 ( -3.997 0.000 2.534) 4.733 9.397 ( 1.273 0.000 -0.705) 1.455 9.397 ( 1.273 0.000 0.705) 1.455 9.748 ( 2.244 0.000 -0.251) 2.258 9.748 ( 2.244 0.000 0.251) 2.258 10.203 ( 12.220 0.000 -4.333) 12.966 10.203 ( 12.220 0.000 4.333) 12.966 11.430 ( 14.381 0.000 -13.806) 19.936 11.430 ( 14.381 0.000 13.806) 19.936 12.621 ( -23.193 0.000 -13.363) 26.768 12.621 ( -23.193 0.000 13.363) 26.768 14.033 ( -7.352 0.000 -1.186) 7.447 14.033 ( -7.352 0.000 1.186) 7.447 14.876 ( 3.791 0.000 -0.137) 3.794 14.876 ( 3.791 0.000 0.137) 3.794 16.506 ( -5.935 0.000 -4.495) 7.445 16.506 ( -5.935 0.000 4.495) 7.445 17.468 ( 23.642 0.000 -14.214) 27.586 17.468 ( 23.642 0.000 14.214) 27.586 18.203 ( 0.387 0.000 -3.515) 3.537 18.203 ( 0.387 0.000 3.515) 3.537 20.720 ( -16.313 0.000 -4.427) 16.903 20.720 ( -16.313 0.000 4.427) 16.903 ======================= Grid point 369 (67/84) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 18.847 0.000 -16.617) 25.126 2.480 ( 18.847 0.000 16.617) 25.126 2.533 ( 18.107 0.000 -9.792) 20.586 2.533 ( 18.107 0.000 9.792) 20.586 3.059 ( 12.663 0.000 -7.991) 14.973 3.059 ( 12.663 0.000 7.991) 14.973 3.811 ( 19.759 0.000 -12.717) 23.497 3.811 ( 19.759 0.000 12.717) 23.497 4.350 ( -14.808 0.000 -8.751) 17.201 4.350 ( -14.808 0.000 8.751) 17.201 5.006 ( 1.477 0.000 -5.934) 6.115 5.006 ( 1.477 0.000 5.934) 6.115 5.258 ( 0.389 0.000 -7.448) 7.458 5.258 ( 0.389 0.000 7.448) 7.458 6.071 ( -16.786 0.000 -0.843) 16.807 6.071 ( -16.786 0.000 0.843) 16.807 6.736 ( 0.815 0.000 -2.266) 2.408 6.736 ( 0.815 0.000 2.266) 2.408 6.918 ( 4.270 0.000 -4.272) 6.040 6.918 ( 4.270 0.000 4.272) 6.040 7.397 ( 16.066 0.000 -6.685) 17.401 7.397 ( 16.066 0.000 6.685) 17.401 7.721 ( -11.634 0.000 -3.607) 12.180 7.721 ( -11.634 0.000 3.607) 12.180 7.766 ( -3.130 0.000 -13.424) 13.784 7.766 ( -3.130 0.000 13.424) 13.784 8.326 ( -7.440 0.000 -1.831) 7.662 8.326 ( -7.440 0.000 1.831) 7.662 8.401 ( -6.507 0.000 -0.970) 6.579 8.401 ( -6.507 0.000 0.970) 6.579 8.798 ( -4.336 0.000 -1.758) 4.679 8.798 ( -4.336 0.000 1.758) 4.679 9.439 ( 2.544 0.000 -0.002) 2.544 9.439 ( 2.544 0.000 0.002) 2.544 9.787 ( 1.695 0.000 -0.112) 1.698 9.787 ( 1.695 0.000 0.112) 1.698 10.402 ( 7.583 0.000 -2.907) 8.121 10.402 ( 7.583 0.000 2.907) 8.121 11.661 ( 8.592 0.000 -14.158) 16.561 11.661 ( 8.592 0.000 14.158) 16.561 12.205 ( -17.130 0.000 -15.057) 22.807 12.205 ( -17.130 0.000 15.057) 22.807 13.941 ( -2.354 0.000 -2.969) 3.789 13.941 ( -2.354 0.000 2.969) 3.789 15.008 ( 8.494 0.000 -3.510) 9.191 15.008 ( 8.494 0.000 3.510) 9.191 16.336 ( -10.291 0.000 -0.697) 10.314 16.336 ( -10.291 0.000 0.697) 10.314 17.840 ( 13.556 0.000 -17.117) 21.835 17.840 ( 13.556 0.000 17.117) 21.835 18.217 ( 1.165 0.000 -2.636) 2.882 18.217 ( 1.165 0.000 2.636) 2.882 20.427 ( -12.680 0.000 -8.097) 15.045 20.427 ( -12.680 0.000 8.097) 15.045 ======================= Grid point 371 (68/84) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 14.505 0.000 -9.271) 17.215 2.820 ( 14.505 0.000 9.271) 17.215 2.852 ( 14.809 0.000 -2.761) 15.064 2.852 ( 14.809 0.000 2.761) 15.064 3.316 ( 12.810 0.000 -3.184) 13.199 3.316 ( 12.810 0.000 3.184) 13.199 4.045 ( -14.730 0.000 -7.247) 16.416 4.045 ( -14.730 0.000 7.247) 16.416 4.120 ( 9.589 0.000 -2.292) 9.859 4.120 ( 9.589 0.000 2.292) 9.859 5.018 ( 1.950 0.000 -5.889) 6.204 5.018 ( 1.950 0.000 5.889) 6.204 5.349 ( 6.573 0.000 -10.828) 12.666 5.349 ( 6.573 0.000 10.828) 12.666 5.741 ( -15.798 0.000 -1.207) 15.844 5.741 ( -15.798 0.000 1.207) 15.844 6.696 ( -4.194 0.000 -6.962) 8.128 6.696 ( -4.194 0.000 6.962) 8.128 7.038 ( 6.687 0.000 -7.034) 9.705 7.038 ( 6.687 0.000 7.034) 9.705 7.436 ( -10.386 0.000 -0.048) 10.386 7.436 ( -10.386 0.000 0.048) 10.386 7.685 ( 12.684 0.000 -0.816) 12.710 7.685 ( 12.684 0.000 0.816) 12.710 7.719 ( -7.301 0.000 -2.583) 7.745 7.719 ( -7.301 0.000 2.583) 7.745 8.239 ( -0.314 0.000 -5.398) 5.408 8.239 ( -0.314 0.000 5.398) 5.408 8.314 ( -3.284 0.000 -0.046) 3.284 8.314 ( -3.284 0.000 0.046) 3.284 8.699 ( -5.757 0.000 -0.658) 5.795 8.699 ( -5.757 0.000 0.658) 5.795 9.481 ( 1.426 0.000 -0.542) 1.525 9.481 ( 1.426 0.000 0.542) 1.525 9.820 ( 1.741 0.000 -0.363) 1.779 9.820 ( 1.741 0.000 0.363) 1.779 10.494 ( 2.030 0.000 -0.584) 2.112 10.494 ( 2.030 0.000 0.584) 2.112 11.747 ( 0.136 0.000 -6.433) 6.434 11.747 ( 0.136 0.000 6.433) 6.434 11.999 ( -3.701 0.000 -6.108) 7.142 11.999 ( -3.701 0.000 6.108) 7.142 13.923 ( 0.090 0.000 -2.637) 2.639 13.923 ( 0.090 0.000 2.637) 2.639 15.178 ( 8.211 0.000 -7.054) 10.825 15.178 ( 8.211 0.000 7.054) 10.825 16.133 ( -9.624 0.000 -0.401) 9.632 16.133 ( -9.624 0.000 0.401) 9.632 18.009 ( 4.553 0.000 -14.113) 14.830 18.009 ( 4.553 0.000 14.113) 14.830 18.243 ( 1.059 0.000 -2.341) 2.570 18.243 ( 1.059 0.000 2.341) 2.570 20.239 ( -6.472 0.000 -8.645) 10.799 20.239 ( -6.472 0.000 8.645) 10.799 ======================= Grid point 373 (69/84) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 4.249 0.000 -1.594) 4.538 2.997 ( 4.249 0.000 1.594) 4.538 3.126 ( 10.504 0.000 -6.093) 12.143 3.126 ( 10.504 0.000 6.093) 12.143 3.508 ( 4.805 0.000 -0.011) 4.805 3.508 ( 4.805 0.000 0.011) 4.805 3.787 ( -8.711 0.000 -4.290) 9.710 3.787 ( -8.711 0.000 4.290) 9.710 4.223 ( 1.720 0.000 -0.416) 1.769 4.223 ( 1.720 0.000 0.416) 1.769 5.081 ( 2.783 0.000 -1.446) 3.136 5.081 ( 2.783 0.000 1.446) 3.136 5.455 ( 3.027 0.000 -4.335) 5.287 5.455 ( 3.027 0.000 4.335) 5.287 5.503 ( -6.743 0.000 -0.795) 6.790 5.503 ( -6.743 0.000 0.795) 6.790 6.611 ( -3.112 0.000 -3.132) 4.415 6.611 ( -3.112 0.000 3.132) 4.415 7.137 ( 2.293 0.000 -1.896) 2.975 7.137 ( 2.293 0.000 1.896) 2.975 7.354 ( 2.591 0.000 -2.611) 3.678 7.354 ( 2.591 0.000 2.611) 3.678 7.522 ( -10.106 0.000 -1.832) 10.270 7.522 ( -10.106 0.000 1.832) 10.270 7.897 ( 7.091 0.000 -0.000) 7.091 7.897 ( 7.091 0.000 0.000) 7.091 8.247 ( -1.864 0.000 -1.692) 2.518 8.247 ( -1.864 0.000 1.692) 2.518 8.280 ( 1.444 0.000 -1.434) 2.036 8.280 ( 1.444 0.000 1.434) 2.036 8.591 ( -4.074 0.000 -0.056) 4.074 8.591 ( -4.074 0.000 0.056) 4.074 9.495 ( 0.232 0.000 -0.368) 0.435 9.495 ( 0.232 0.000 0.368) 0.435 9.851 ( 1.081 0.000 -0.398) 1.152 9.851 ( 1.081 0.000 0.398) 1.152 10.506 ( -0.159 0.000 -0.004) 0.159 10.506 ( -0.159 0.000 0.004) 0.159 11.726 ( -0.851 0.000 -0.172) 0.868 11.726 ( -0.851 0.000 0.172) 0.868 11.985 ( 0.307 0.000 -0.240) 0.390 11.985 ( 0.307 0.000 0.240) 0.390 13.930 ( 0.348 0.000 -1.014) 1.072 13.930 ( 0.348 0.000 1.014) 1.072 15.304 ( 3.813 0.000 -4.295) 5.744 15.304 ( 3.813 0.000 4.295) 5.744 15.987 ( -4.373 0.000 -1.172) 4.528 15.987 ( -4.373 0.000 1.172) 4.528 18.057 ( 0.905 0.000 -5.483) 5.557 18.057 ( 0.905 0.000 5.483) 5.557 18.253 ( 0.104 0.000 -0.775) 0.782 18.253 ( 0.104 0.000 0.775) 0.782 20.162 ( -1.710 0.000 -3.654) 4.034 20.162 ( -1.710 0.000 3.654) 4.034 ======================= Grid point 387 (70/84) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 4.710 4.710 -0.000) 6.661 1.925 ( 11.987 11.987 -0.000) 16.952 1.965 ( 12.794 12.794 0.000) 18.094 2.013 ( 14.072 14.072 -0.000) 19.901 2.709 ( 5.424 5.424 -0.000) 7.671 2.747 ( 7.495 7.495 0.000) 10.599 3.178 ( 8.818 8.818 -0.000) 12.470 3.246 ( 11.038 11.038 0.000) 15.611 4.716 ( 0.294 0.294 -0.000) 0.416 4.785 ( 3.543 3.543 -0.000) 5.011 4.816 ( -6.579 -6.579 0.000) 9.304 4.851 ( -4.482 -4.482 0.000) 6.338 5.389 ( -5.556 -5.556 0.000) 7.857 5.503 ( -1.794 -1.794 -0.000) 2.537 6.417 ( -8.331 -8.331 -0.000) 11.782 6.541 ( -3.316 -3.316 0.000) 4.689 6.557 ( 1.227 1.227 -0.000) 1.735 6.630 ( 3.600 3.600 -0.000) 5.092 6.650 ( -2.638 -2.638 0.000) 3.731 6.885 ( 11.862 11.862 0.000) 16.775 6.959 ( 3.814 3.814 -0.000) 5.394 7.120 ( 5.243 5.243 -0.000) 7.415 7.346 ( 1.785 1.785 0.000) 2.525 7.609 ( 9.540 9.540 0.000) 13.491 8.165 ( -23.811 -23.811 -0.000) 33.674 8.405 ( -7.037 -7.037 0.000) 9.951 8.548 ( -7.345 -7.345 0.000) 10.388 8.630 ( 1.193 1.193 0.000) 1.688 8.701 ( -1.786 -1.786 0.000) 2.525 8.820 ( -4.416 -4.416 -0.000) 6.245 8.868 ( -4.657 -4.657 0.000) 6.586 9.015 ( 3.250 3.250 0.000) 4.596 9.302 ( -0.309 -0.309 0.000) 0.437 9.492 ( -2.557 -2.557 -0.000) 3.616 9.756 ( 6.293 6.293 -0.000) 8.899 9.789 ( 2.405 2.405 0.000) 3.402 9.907 ( 3.115 3.115 0.000) 4.406 10.017 ( 4.951 4.951 -0.000) 7.002 11.194 ( 7.998 7.998 0.000) 11.311 11.285 ( 10.477 10.477 -0.000) 14.816 12.638 ( -23.326 -23.326 -0.000) 32.988 13.148 ( -0.814 -0.814 0.000) 1.151 13.999 ( -10.259 -10.259 0.000) 14.508 14.287 ( 0.515 0.515 0.000) 0.728 14.869 ( -13.075 -13.075 -0.000) 18.492 14.887 ( 1.287 1.287 0.000) 1.821 16.228 ( 4.189 4.189 -0.000) 5.925 17.019 ( 4.055 4.055 0.000) 5.734 17.025 ( 3.106 3.106 -0.000) 4.393 17.143 ( 27.502 27.502 0.000) 38.894 18.169 ( -1.307 -1.307 -0.000) 1.848 18.228 ( 1.269 1.269 0.000) 1.795 20.893 ( -11.668 -11.668 0.000) 16.502 20.896 ( -11.927 -11.927 -0.000) 16.868 ======================= Grid point 389 (71/84) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 17.670 -3.849 -0.000) 18.085 2.223 ( 16.245 8.230 0.000) 18.211 2.266 ( 16.793 9.452 0.000) 19.271 2.308 ( 16.618 9.062 -0.000) 18.928 2.858 ( 9.317 4.138 -0.000) 10.195 2.937 ( 11.630 8.677 0.000) 14.510 3.450 ( 17.824 6.644 -0.000) 19.022 3.529 ( 16.941 9.083 0.000) 19.222 4.597 ( -13.323 -4.003 -0.000) 13.912 4.610 ( -11.031 1.236 0.000) 11.100 4.855 ( 5.080 -7.308 -0.000) 8.900 4.896 ( 4.815 -0.703 0.000) 4.866 5.287 ( -3.895 -3.358 0.000) 5.142 5.408 ( -7.464 2.273 -0.000) 7.802 6.195 ( -14.268 -11.670 0.000) 18.433 6.407 ( -10.464 -1.432 0.000) 10.562 6.566 ( -0.281 -5.531 0.000) 5.538 6.673 ( 5.506 -9.365 0.000) 10.863 6.720 ( 5.781 2.147 -0.000) 6.167 6.955 ( -3.775 0.129 0.000) 3.777 7.093 ( 7.874 3.805 -0.000) 8.745 7.317 ( 12.940 14.973 0.000) 19.790 7.506 ( 12.622 -1.334 0.000) 12.692 7.717 ( -19.683 -20.213 0.000) 28.213 7.779 ( 7.081 8.539 -0.000) 11.092 8.280 ( -6.027 -4.391 0.000) 7.457 8.355 ( -10.384 -2.599 0.000) 10.704 8.579 ( -7.585 0.592 -0.000) 7.608 8.635 ( -3.798 8.158 -0.000) 8.999 8.687 ( -10.169 4.725 0.000) 11.214 8.779 ( -4.279 -7.705 0.000) 8.814 8.927 ( -6.912 8.853 0.000) 11.232 9.382 ( 5.514 1.216 0.000) 5.646 9.440 ( -1.615 -3.934 -0.000) 4.253 9.772 ( -2.613 9.923 0.000) 10.261 9.829 ( 2.926 2.074 -0.000) 3.587 10.071 ( 10.830 -6.044 0.000) 12.402 10.220 ( 12.842 -3.320 -0.000) 13.264 11.391 ( 10.684 -1.528 0.000) 10.793 11.486 ( 9.006 2.809 -0.000) 9.434 12.180 ( -21.283 -20.341 -0.000) 29.440 12.969 ( -16.568 11.795 0.000) 20.338 13.855 ( -4.222 -6.339 -0.000) 7.616 14.236 ( -4.646 8.158 -0.000) 9.388 14.692 ( -0.906 -13.092 -0.000) 13.123 14.964 ( 5.581 4.165 0.000) 6.964 16.294 ( -2.106 1.894 0.000) 2.832 16.960 ( -6.153 21.023 0.000) 21.905 17.244 ( 18.213 -10.795 -0.000) 21.172 17.666 ( 20.856 8.594 0.000) 22.557 18.155 ( 0.075 -1.342 -0.000) 1.344 18.250 ( 1.002 1.748 0.000) 2.014 20.605 ( -16.138 -11.365 0.000) 19.738 20.611 ( -15.731 -10.337 -0.000) 18.823 ======================= Grid point 391 (72/84) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 22.702 -6.284 -0.000) 23.555 2.523 ( 14.795 4.608 0.000) 15.496 2.598 ( 16.649 7.644 -0.000) 18.320 2.656 ( 17.329 6.119 -0.000) 18.378 3.059 ( 10.758 2.887 -0.000) 11.139 3.195 ( 14.208 9.619 0.000) 17.158 3.813 ( 17.079 1.836 -0.000) 17.178 3.868 ( 16.050 4.081 0.000) 16.560 4.310 ( -15.156 -4.421 0.000) 15.787 4.359 ( -13.394 0.906 -0.000) 13.424 4.935 ( -0.756 -2.261 -0.000) 2.384 4.986 ( 7.468 -6.555 -0.000) 9.937 5.245 ( -7.822 2.371 -0.000) 8.173 5.283 ( 3.662 -1.307 0.000) 3.888 5.880 ( -16.988 -12.580 0.000) 21.139 6.141 ( -16.089 0.230 0.000) 16.091 6.575 ( 0.772 -9.513 0.000) 9.545 6.815 ( -6.502 -0.966 0.000) 6.573 6.817 ( 8.556 -8.885 -0.000) 12.336 6.867 ( 5.295 -2.687 -0.000) 5.938 7.232 ( 6.435 -5.325 0.000) 8.353 7.385 ( -9.372 -13.130 -0.000) 16.132 7.533 ( 7.721 0.536 0.000) 7.739 7.814 ( 13.450 10.179 0.000) 16.867 7.843 ( -2.492 5.979 -0.000) 6.477 8.114 ( -8.166 11.334 -0.000) 13.969 8.246 ( -2.726 -4.253 0.000) 5.052 8.368 ( -12.500 2.579 0.000) 12.763 8.403 ( -15.522 7.655 -0.000) 17.307 8.554 ( -4.390 6.977 0.000) 8.243 8.693 ( -4.396 -4.629 0.000) 6.384 8.873 ( 0.437 5.780 0.000) 5.796 9.433 ( 0.682 -4.160 0.000) 4.216 9.477 ( 4.093 3.203 0.000) 5.198 9.730 ( -0.865 3.219 0.000) 3.334 9.879 ( 1.423 2.193 -0.000) 2.614 10.276 ( 9.163 -7.168 0.000) 11.634 10.437 ( 8.228 -1.577 -0.000) 8.378 11.577 ( 7.376 -12.315 0.000) 14.355 11.615 ( 3.969 -3.626 -0.000) 5.376 11.857 ( -10.506 -8.171 -0.000) 13.309 12.592 ( -19.136 15.339 0.000) 24.525 13.824 ( 0.695 -2.715 -0.000) 2.803 14.165 ( -2.407 12.913 -0.000) 13.135 14.790 ( 8.846 -15.301 0.000) 17.674 15.079 ( 5.664 2.037 -0.000) 6.020 16.181 ( -7.270 3.955 0.000) 8.276 16.794 ( -10.539 25.246 0.000) 27.358 17.607 ( 16.069 -13.429 -0.000) 20.942 17.940 ( 7.510 -1.142 0.000) 7.596 18.176 ( 2.024 1.223 -0.000) 2.365 18.274 ( 1.635 1.559 0.000) 2.259 20.315 ( -12.447 -11.536 0.001) 16.970 20.317 ( -13.377 -10.329 -0.001) 16.900 ======================= Grid point 393 (73/84) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 18.069 -3.101 -0.000) 18.333 2.813 ( 14.529 1.794 0.000) 14.640 2.919 ( 16.426 6.562 -0.000) 17.689 2.945 ( 11.576 5.876 -0.000) 12.982 3.269 ( 10.451 0.980 -0.000) 10.497 3.468 ( 12.439 9.109 0.000) 15.418 3.966 ( -12.390 -6.068 -0.000) 13.796 3.973 ( -6.689 -4.939 0.000) 8.315 4.162 ( 6.051 2.587 -0.000) 6.580 4.189 ( 1.316 4.197 0.000) 4.399 4.932 ( 2.040 -4.257 0.000) 4.721 5.090 ( 0.345 2.338 -0.000) 2.364 5.184 ( 4.486 -9.787 -0.000) 10.766 5.376 ( 4.292 -3.102 0.000) 5.295 5.568 ( -13.491 -11.530 0.000) 17.746 5.803 ( -17.544 0.255 0.000) 17.546 6.577 ( -0.827 -9.330 0.000) 9.367 6.635 ( -8.375 -7.338 -0.000) 11.135 6.994 ( 9.272 -6.440 0.000) 11.289 7.019 ( 7.909 0.150 -0.000) 7.910 7.298 ( 0.251 -1.962 0.000) 1.978 7.370 ( 8.057 -13.195 0.000) 15.461 7.650 ( 2.673 -2.106 0.000) 3.403 7.680 ( -11.252 7.511 0.000) 13.529 7.908 ( -14.324 17.669 -0.000) 22.745 7.922 ( -3.734 2.992 0.000) 4.784 8.156 ( -7.765 -5.649 -0.000) 9.603 8.189 ( -3.247 -5.835 0.000) 6.678 8.256 ( 0.937 1.463 0.000) 1.738 8.482 ( -2.843 9.749 0.000) 10.156 8.649 ( 1.780 5.411 0.000) 5.696 8.892 ( 0.555 10.786 0.000) 10.800 9.457 ( 1.680 -1.920 0.000) 2.551 9.538 ( 1.855 3.634 0.000) 4.080 9.744 ( 2.102 -1.781 0.000) 2.755 9.877 ( -1.386 0.724 -0.000) 1.564 10.415 ( 4.992 -4.450 0.000) 6.688 10.531 ( 1.645 0.201 -0.000) 1.658 11.631 ( -0.739 -17.855 -0.000) 17.870 11.651 ( 0.157 -6.560 0.000) 6.562 11.814 ( 4.564 1.735 -0.000) 4.883 12.276 ( -12.740 10.793 0.000) 16.697 13.871 ( 3.877 1.127 0.000) 4.037 14.123 ( -2.408 13.753 -0.000) 13.963 14.984 ( 9.894 -15.103 0.000) 18.056 15.170 ( 3.300 -2.532 -0.000) 4.159 16.070 ( -2.808 7.865 0.000) 8.351 16.558 ( -13.175 25.537 0.000) 28.735 17.833 ( 7.132 -10.723 -0.000) 12.878 18.001 ( -0.145 -7.005 0.000) 7.006 18.224 ( 2.722 2.665 0.000) 3.809 18.311 ( 1.742 1.694 0.000) 2.430 20.109 ( -7.409 -11.813 0.000) 13.944 20.129 ( -6.666 -12.025 -0.000) 13.749 ======================= Grid point 395 (74/84) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 6.659 2.607 -0.000) 7.151 3.041 ( 5.383 2.849 0.000) 6.091 3.133 ( 9.419 3.616 -0.000) 10.089 3.196 ( 7.576 4.772 -0.000) 8.954 3.465 ( 9.874 0.019 -0.000) 9.874 3.620 ( 0.586 6.533 0.000) 6.559 3.738 ( -7.233 -4.290 0.000) 8.410 3.751 ( -10.169 -3.532 -0.000) 10.764 4.240 ( 1.390 1.141 -0.000) 1.798 4.240 ( 1.274 0.934 0.000) 1.580 5.014 ( 4.962 -5.201 0.000) 7.188 5.078 ( -1.272 -1.813 -0.000) 2.215 5.303 ( 5.725 -10.553 0.000) 12.006 5.407 ( -2.080 -7.681 -0.000) 7.958 5.411 ( -1.330 -7.576 0.000) 7.692 5.499 ( -11.487 -2.171 0.000) 11.691 6.533 ( -1.763 -6.548 0.000) 6.781 6.545 ( -1.964 -7.551 -0.000) 7.802 7.156 ( 5.618 2.336 0.000) 6.085 7.165 ( 6.540 -1.614 -0.000) 6.736 7.375 ( 6.969 4.921 0.000) 8.532 7.477 ( -3.506 5.546 0.000) 6.561 7.516 ( -2.174 1.333 0.000) 2.550 7.563 ( -9.474 3.309 0.000) 10.035 7.696 ( -1.061 -7.343 0.000) 7.419 7.821 ( -6.526 -13.978 0.000) 15.427 8.054 ( -0.841 -10.491 0.000) 10.525 8.109 ( -4.466 -7.784 0.000) 8.974 8.326 ( 4.605 6.448 0.000) 7.924 8.414 ( -4.173 9.205 0.000) 10.107 8.759 ( 7.125 15.976 0.000) 17.493 8.868 ( -3.418 15.591 0.000) 15.961 9.498 ( 2.356 0.908 0.000) 2.525 9.541 ( -1.522 3.313 0.000) 3.646 9.795 ( 2.626 -3.762 0.000) 4.587 9.840 ( -2.055 -2.599 -0.000) 3.313 10.484 ( 2.511 -1.118 0.000) 2.749 10.525 ( -1.615 0.536 0.000) 1.702 11.628 ( 0.516 -10.551 -0.000) 10.564 11.642 ( -0.730 -7.711 0.000) 7.746 11.931 ( 6.683 -0.054 -0.000) 6.683 12.076 ( -8.320 3.871 0.000) 9.176 13.963 ( 5.126 5.763 0.000) 7.713 14.058 ( -4.216 10.686 -0.000) 11.487 15.142 ( 5.576 -13.073 0.000) 14.212 15.200 ( -0.499 -8.273 -0.000) 8.288 16.103 ( 6.350 15.056 0.000) 16.340 16.298 ( -12.528 21.818 0.000) 25.159 17.921 ( 2.876 -9.200 -0.000) 9.640 17.970 ( -2.301 -8.733 0.000) 9.031 18.281 ( 2.822 2.927 0.000) 4.066 18.321 ( -0.948 2.678 0.000) 2.841 20.026 ( -1.380 -13.046 0.000) 13.119 20.041 ( -2.619 -12.810 -0.000) 13.075 ======================= Grid point 411 (75/84) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 9.504 9.504 -0.000) 13.441 2.449 ( 13.310 13.310 -0.000) 18.823 2.483 ( 10.103 10.103 0.000) 14.288 2.503 ( 14.026 14.026 -0.000) 19.836 2.978 ( 7.728 7.728 -0.000) 10.930 3.147 ( 12.298 12.298 0.000) 17.393 3.652 ( 12.528 12.528 -0.000) 17.718 3.744 ( 12.074 12.074 0.000) 17.075 4.424 ( -12.346 -12.346 -0.000) 17.460 4.597 ( -7.586 -7.586 0.000) 10.728 4.730 ( 0.362 0.362 0.000) 0.512 4.934 ( 2.785 2.785 -0.000) 3.939 5.214 ( -3.304 -3.304 -0.000) 4.673 5.405 ( -3.064 -3.064 -0.000) 4.333 5.918 ( -16.195 -16.195 0.000) 22.904 6.309 ( -8.533 -8.533 0.000) 12.067 6.446 ( -5.370 -5.370 -0.000) 7.595 6.589 ( -0.040 -0.040 0.000) 0.057 6.774 ( 3.759 3.759 -0.000) 5.316 6.890 ( -8.103 -8.103 0.000) 11.459 7.145 ( 1.310 1.310 0.000) 1.852 7.336 ( -10.691 -10.691 -0.000) 15.119 7.449 ( 3.134 3.134 0.000) 4.433 7.766 ( 15.103 15.103 0.000) 21.360 7.932 ( 6.507 6.507 -0.000) 9.203 8.206 ( -2.626 -2.626 0.000) 3.714 8.227 ( -8.861 -8.861 0.000) 12.531 8.570 ( -2.918 -2.918 0.000) 4.126 8.604 ( -7.276 -7.276 -0.000) 10.289 8.752 ( 3.543 3.543 0.000) 5.011 8.769 ( 3.844 3.844 0.000) 5.436 9.107 ( 1.605 1.605 0.000) 2.270 9.314 ( -5.908 -5.908 0.000) 8.355 9.406 ( 3.391 3.391 0.000) 4.796 9.810 ( -1.156 -1.156 0.000) 1.635 10.011 ( 5.691 5.691 -0.000) 8.048 10.065 ( 4.520 4.520 0.000) 6.393 10.124 ( 0.656 0.656 -0.000) 0.927 11.353 ( -2.624 -2.624 -0.000) 3.710 11.526 ( 1.013 1.013 0.000) 1.432 11.890 ( -8.672 -8.672 -0.000) 12.264 13.030 ( -6.472 -6.472 0.000) 9.153 13.790 ( -0.395 -0.395 -0.000) 0.558 14.321 ( 1.205 1.205 0.000) 1.704 14.504 ( -2.335 -2.335 -0.000) 3.303 15.045 ( 3.886 3.886 0.000) 5.495 16.448 ( 6.650 6.650 -0.000) 9.405 17.120 ( 1.661 1.661 0.000) 2.349 17.244 ( 7.179 7.179 0.000) 10.153 17.789 ( 3.979 3.979 0.000) 5.627 18.173 ( 2.947 2.947 -0.000) 4.167 18.270 ( 0.439 0.439 0.000) 0.620 20.313 ( -16.923 -16.923 0.000) 23.933 20.352 ( -15.090 -15.090 -0.000) 21.340 ======================= Grid point 413 (76/84) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 20.074 1.449 -0.000) 20.127 2.663 ( 10.802 9.364 0.000) 14.296 2.772 ( 16.260 5.848 0.000) 17.280 2.793 ( 14.926 11.689 -0.000) 18.958 3.150 ( 9.456 5.940 -0.000) 11.167 3.409 ( 13.916 11.995 0.000) 18.372 3.867 ( 7.008 2.433 -0.000) 7.418 3.962 ( 7.769 5.176 0.000) 9.335 4.167 ( -11.364 -9.668 -0.000) 14.920 4.391 ( -9.704 2.154 0.000) 9.941 4.824 ( 6.681 -7.844 -0.000) 10.304 4.927 ( -3.589 0.715 -0.000) 3.659 5.205 ( 2.310 -6.003 0.000) 6.432 5.292 ( -7.679 1.190 -0.000) 7.770 5.584 ( -16.996 -17.365 0.000) 24.299 6.079 ( -14.627 -6.524 0.000) 16.016 6.378 ( -1.942 -10.068 0.000) 10.254 6.640 ( 4.941 -7.816 0.000) 9.247 6.665 ( -12.353 -10.621 -0.000) 16.291 6.877 ( 6.674 1.647 -0.000) 6.874 7.166 ( 1.662 -1.600 -0.000) 2.307 7.254 ( 1.232 -0.584 0.000) 1.363 7.531 ( 4.799 0.720 0.000) 4.853 7.909 ( -3.794 -5.761 0.000) 6.899 7.933 ( -8.335 1.874 0.000) 8.543 8.108 ( -2.726 -9.054 0.000) 9.455 8.209 ( 4.614 4.373 -0.000) 6.357 8.433 ( -10.159 3.675 0.000) 10.803 8.586 ( 6.650 5.274 -0.000) 8.488 8.718 ( -12.087 18.284 0.000) 21.918 8.791 ( -0.894 8.944 0.000) 8.989 9.035 ( -0.109 9.474 0.000) 9.475 9.274 ( 2.054 -9.777 0.000) 9.991 9.524 ( 5.723 0.634 0.000) 5.758 9.829 ( 1.720 -6.874 0.000) 7.086 9.899 ( -7.375 11.638 -0.000) 13.778 10.190 ( 7.576 -0.398 0.000) 7.586 10.335 ( 11.165 -8.481 0.000) 14.021 11.300 ( -2.069 -12.109 -0.000) 12.284 11.523 ( -1.257 -5.711 0.000) 5.848 11.816 ( 0.018 0.725 -0.000) 0.725 12.763 ( -17.872 1.514 0.000) 17.936 13.834 ( 4.640 3.646 -0.000) 5.901 14.393 ( 5.941 5.317 -0.000) 7.973 14.540 ( 4.326 -2.753 -0.000) 5.128 15.104 ( 1.795 0.414 0.000) 1.842 16.425 ( -5.835 17.750 0.000) 18.685 17.254 ( -5.317 20.483 -0.000) 21.162 17.336 ( 15.887 -13.345 0.000) 20.748 17.839 ( 1.254 -6.983 0.000) 7.095 18.230 ( 2.172 2.460 -0.000) 3.281 18.276 ( 0.511 -1.165 0.000) 1.272 19.996 ( -14.254 -20.031 0.000) 24.585 20.053 ( -14.605 -15.747 -0.000) 21.478 ======================= Grid point 415 (77/84) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 22.146 -1.069 -0.000) 22.172 2.891 ( 12.046 5.912 0.000) 13.418 3.065 ( 12.786 5.663 0.000) 13.984 3.075 ( 13.626 9.023 -0.000) 16.343 3.335 ( 9.070 4.962 -0.000) 10.338 3.654 ( 9.047 9.624 -0.000) 13.209 3.838 ( -12.879 -6.641 -0.000) 14.490 3.865 ( -5.903 -5.947 -0.000) 8.379 4.181 ( 5.248 -0.989 -0.000) 5.341 4.276 ( -2.814 4.657 0.000) 5.441 4.859 ( -1.737 -3.228 -0.000) 3.666 4.958 ( 6.235 -10.374 0.000) 12.103 5.139 ( -6.891 -0.374 -0.000) 6.901 5.248 ( 0.889 -8.788 0.000) 8.832 5.298 ( -10.469 -14.934 0.000) 18.238 5.753 ( -17.852 -5.190 0.000) 18.591 6.351 ( -1.083 -13.133 0.000) 13.177 6.463 ( -7.686 -9.543 -0.000) 12.253 6.778 ( 8.975 -13.663 0.000) 16.347 7.028 ( 8.196 0.465 -0.000) 8.210 7.241 ( 6.344 -0.738 -0.000) 6.387 7.348 ( 7.836 5.631 0.000) 9.649 7.622 ( 3.908 -0.744 0.000) 3.978 7.694 ( -14.396 -19.030 0.000) 23.862 7.731 ( -10.658 -0.731 0.000) 10.683 8.037 ( -4.506 -7.504 -0.000) 8.753 8.183 ( -13.865 5.510 0.000) 14.920 8.346 ( 7.123 10.137 0.000) 12.390 8.358 ( -20.088 21.157 -0.000) 29.174 8.703 ( -1.864 12.049 0.000) 12.193 8.855 ( 11.368 12.862 0.000) 17.166 9.100 ( 3.803 9.692 0.000) 10.411 9.363 ( 6.135 -7.366 0.000) 9.586 9.603 ( 2.491 2.571 0.000) 3.580 9.788 ( -3.931 5.634 0.000) 6.870 9.827 ( -2.467 -6.082 -0.000) 6.564 10.340 ( 7.136 -2.603 0.000) 7.596 10.489 ( 4.310 -4.830 0.000) 6.473 11.296 ( 1.841 -15.335 -0.000) 15.446 11.484 ( -2.514 -10.396 0.000) 10.696 11.856 ( 3.665 2.432 -0.000) 4.399 12.414 ( -16.421 3.411 0.000) 16.772 13.966 ( 8.564 8.415 -0.000) 12.006 14.449 ( -1.443 18.711 -0.000) 18.767 14.688 ( 10.111 -12.839 0.000) 16.342 15.105 ( -1.830 -4.064 -0.000) 4.457 16.351 ( 0.304 18.459 0.000) 18.461 17.066 ( -13.314 25.184 0.000) 28.487 17.605 ( 10.066 -12.269 -0.000) 15.870 17.832 ( -1.892 -8.878 0.000) 9.078 18.266 ( 2.038 0.758 -0.000) 2.174 18.300 ( 1.911 -2.696 0.000) 3.305 19.777 ( -8.088 -23.380 0.000) 24.739 19.804 ( -10.119 -18.420 -0.000) 21.017 ======================= Grid point 417 (78/84) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 10.533 3.097 -0.000) 10.979 3.102 ( 7.500 3.772 0.000) 8.395 3.256 ( 7.037 7.633 -0.000) 10.382 3.307 ( 6.975 6.127 -0.000) 9.284 3.493 ( 6.965 2.130 -0.000) 7.284 3.647 ( -2.438 -4.067 -0.000) 4.742 3.652 ( -7.818 -5.421 0.000) 9.514 3.754 ( -6.412 5.829 0.000) 8.666 4.236 ( 0.662 -2.247 -0.000) 2.342 4.240 ( -0.660 -0.993 0.000) 1.193 4.884 ( 3.863 -7.767 -0.000) 8.674 4.975 ( -4.455 -10.450 0.000) 11.360 5.120 ( 4.961 -6.134 0.000) 7.889 5.220 ( -3.713 -9.857 -0.000) 10.533 5.226 ( 3.537 -9.999 0.000) 10.606 5.417 ( -14.995 -5.846 0.000) 16.094 6.337 ( -0.007 -12.811 0.000) 12.811 6.362 ( -2.865 -10.570 -0.000) 10.952 6.985 ( 11.618 -16.598 0.000) 20.260 7.147 ( 0.134 -5.126 -0.000) 5.127 7.396 ( 6.642 -1.990 -0.000) 6.934 7.416 ( -4.771 -19.237 0.000) 19.820 7.552 ( -5.063 0.541 -0.000) 5.092 7.583 ( 7.325 11.556 0.000) 13.682 7.653 ( 0.955 6.655 0.000) 6.723 7.905 ( -13.044 11.438 0.000) 17.349 7.968 ( -5.267 0.377 -0.000) 5.280 8.003 ( -9.814 4.519 -0.000) 10.804 8.495 ( 7.049 10.144 0.000) 12.353 8.619 ( -5.542 11.156 0.000) 12.456 9.061 ( 7.665 13.514 0.000) 15.536 9.138 ( -0.494 11.359 0.000) 11.370 9.499 ( 7.416 -1.821 0.000) 7.636 9.613 ( -2.507 3.682 0.000) 4.455 9.739 ( -1.179 -0.713 0.000) 1.378 9.753 ( -3.313 -5.951 -0.000) 6.811 10.456 ( 4.506 -1.864 0.000) 4.876 10.514 ( -1.244 -1.958 0.000) 2.320 11.358 ( 3.819 -15.875 0.000) 16.327 11.428 ( -3.208 -13.799 0.000) 14.167 11.959 ( 6.970 2.416 -0.000) 7.377 12.139 ( -11.530 2.741 0.000) 11.851 14.157 ( 10.423 13.891 -0.000) 17.366 14.348 ( -8.236 18.653 -0.000) 20.390 14.883 ( 9.047 -12.332 0.000) 15.295 15.030 ( -5.771 -8.717 0.000) 10.454 16.470 ( 11.537 20.691 0.000) 23.690 16.761 ( -16.592 24.199 0.000) 29.341 17.731 ( 3.677 -9.809 -0.000) 10.475 17.785 ( -2.468 -9.353 0.000) 9.674 18.312 ( 2.191 -0.034 -0.000) 2.192 18.331 ( 0.550 -1.808 0.000) 1.890 19.670 ( -2.833 -24.438 0.001) 24.601 19.671 ( -3.254 -22.310 -0.001) 22.546 ======================= Grid point 435 (79/84) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 12.046 12.046 -0.000) 17.035 2.869 ( 9.797 9.797 0.000) 13.854 2.905 ( 9.496 9.496 -0.000) 13.429 3.036 ( 12.570 12.570 -0.000) 17.776 3.281 ( 7.320 7.320 -0.000) 10.352 3.662 ( 13.286 13.286 -0.000) 18.789 3.852 ( -4.629 -4.629 -0.000) 6.547 3.939 ( -11.277 -11.277 -0.000) 15.947 4.070 ( 3.675 3.675 -0.000) 5.197 4.418 ( -0.342 -0.342 0.000) 0.484 4.743 ( 0.286 0.286 0.000) 0.404 4.905 ( -4.415 -4.415 -0.000) 6.244 5.104 ( -2.526 -2.526 -0.000) 3.572 5.214 ( -19.120 -19.120 0.000) 27.039 5.273 ( -3.478 -3.478 -0.000) 4.919 5.892 ( -12.322 -12.322 0.000) 17.426 6.199 ( -7.652 -7.652 0.000) 10.822 6.452 ( -10.487 -10.487 0.000) 14.831 6.534 ( -2.827 -2.827 0.000) 3.998 6.936 ( 4.546 4.546 -0.000) 6.430 7.179 ( 3.227 3.227 -0.000) 4.564 7.311 ( 3.701 3.701 0.000) 5.235 7.567 ( 2.638 2.638 0.000) 3.731 7.654 ( -14.340 -14.340 0.000) 20.279 7.868 ( -9.126 -9.126 0.000) 12.906 7.964 ( -3.506 -3.506 -0.000) 4.958 8.347 ( 8.759 8.759 0.000) 12.387 8.445 ( -3.388 -3.388 0.000) 4.791 8.822 ( 15.220 15.220 -0.000) 21.524 8.938 ( 4.406 4.406 -0.000) 6.232 8.995 ( 6.278 6.278 0.000) 8.879 9.122 ( -3.228 -3.228 0.000) 4.564 9.149 ( 0.545 0.545 0.000) 0.771 9.521 ( 2.641 2.641 0.000) 3.734 9.712 ( -3.549 -3.549 0.000) 5.019 10.113 ( -0.828 -0.828 -0.000) 1.171 10.155 ( 1.480 1.480 -0.000) 2.093 10.232 ( 3.774 3.774 0.000) 5.337 11.127 ( -6.012 -6.012 0.000) 8.502 11.395 ( -7.179 -7.179 0.000) 10.152 11.849 ( 2.414 2.414 -0.000) 3.415 12.664 ( -10.273 -10.273 0.000) 14.528 13.964 ( 9.473 9.473 -0.000) 13.397 14.380 ( 1.761 1.761 0.000) 2.491 14.713 ( 11.139 11.139 -0.000) 15.753 15.087 ( -2.359 -2.359 0.000) 3.336 16.719 ( 6.779 6.779 -0.000) 9.587 17.174 ( 1.528 1.528 0.000) 2.161 17.557 ( 8.313 8.313 0.000) 11.756 17.715 ( -4.273 -4.273 0.000) 6.043 18.241 ( -1.952 -1.952 -0.000) 2.761 18.246 ( -0.653 -0.653 0.000) 0.924 19.580 ( -20.732 -20.732 0.000) 29.320 19.728 ( -16.656 -16.656 -0.000) 23.555 ======================= Grid point 437 (80/84) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 19.348 3.508 -0.000) 19.664 3.033 ( 8.303 8.147 0.000) 11.632 3.147 ( 13.011 2.701 0.000) 13.289 3.262 ( 9.771 9.653 -0.000) 13.735 3.433 ( 8.106 4.272 -0.000) 9.163 3.703 ( -8.885 -6.997 -0.000) 11.310 3.717 ( -10.511 -5.151 -0.000) 11.705 3.895 ( 7.960 11.851 -0.000) 14.276 4.124 ( 1.443 -4.562 -0.000) 4.784 4.354 ( -6.425 2.391 0.000) 6.856 4.780 ( -1.425 -8.460 -0.000) 8.579 4.790 ( -5.432 -4.391 -0.000) 6.985 4.899 ( -6.909 -18.683 -0.000) 19.920 5.087 ( -0.650 -6.428 0.000) 6.461 5.182 ( -5.204 -0.920 0.000) 5.285 5.606 ( -16.289 -9.575 0.000) 18.895 6.090 ( -3.292 -12.535 0.000) 12.960 6.266 ( -8.262 -10.478 0.000) 13.344 6.532 ( 2.612 -10.462 0.000) 10.783 7.046 ( 4.379 0.970 -0.000) 4.485 7.170 ( -13.068 -20.993 -0.000) 24.728 7.295 ( 8.203 5.658 0.000) 9.965 7.618 ( 2.993 2.263 0.000) 3.752 7.664 ( 12.594 13.067 0.000) 18.148 7.671 ( -9.784 -5.314 -0.000) 11.134 7.914 ( -2.011 -4.090 -0.000) 4.558 8.290 ( -11.740 4.323 0.000) 12.511 8.521 ( 8.122 9.524 0.000) 12.517 8.808 ( -17.783 21.122 -0.000) 27.611 8.920 ( -3.463 9.410 0.000) 10.027 9.093 ( 10.370 8.603 0.000) 13.474 9.217 ( 10.715 -4.179 0.000) 11.501 9.239 ( 5.460 3.173 0.000) 6.315 9.629 ( 4.977 -2.890 0.000) 5.755 9.663 ( -1.912 -5.946 0.000) 6.245 9.930 ( -9.024 8.163 -0.000) 12.168 10.321 ( 5.002 0.587 0.000) 5.037 10.336 ( 8.028 -10.347 0.000) 13.096 11.046 ( -2.301 -10.099 0.000) 10.358 11.250 ( -7.299 -13.102 -0.000) 14.998 11.912 ( 4.152 3.313 -0.000) 5.312 12.422 ( -13.042 -2.275 0.000) 13.239 14.199 ( 14.223 15.213 -0.000) 20.826 14.487 ( 8.077 -5.615 0.000) 9.837 14.865 ( 2.688 21.007 -0.000) 21.179 15.006 ( -5.890 -6.116 0.000) 8.491 16.723 ( 0.517 17.706 0.000) 17.713 17.368 ( 12.151 -10.755 -0.000) 16.227 17.512 ( -9.581 18.180 0.000) 20.550 17.687 ( -2.711 -3.894 0.000) 4.745 18.220 ( 0.278 -4.910 -0.000) 4.918 18.245 ( 1.525 -2.923 0.000) 3.297 19.242 ( -12.581 -29.968 0.000) 32.502 19.420 ( -14.252 -19.940 -0.000) 24.509 ======================= Grid point 439 (81/84) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 13.730 -0.415 -0.000) 13.737 3.179 ( 5.003 3.088 0.000) 5.880 3.379 ( 9.890 2.923 -0.000) 10.313 3.410 ( 5.802 3.673 0.000) 6.867 3.536 ( -7.558 -4.509 -0.000) 8.801 3.537 ( -7.362 2.915 0.000) 7.918 3.606 ( 9.925 -0.171 0.000) 9.927 3.859 ( -12.112 4.724 -0.000) 13.001 4.145 ( 1.673 -6.502 0.000) 6.714 4.215 ( -5.561 -1.153 0.000) 5.680 4.714 ( -0.096 -14.583 0.000) 14.583 4.726 ( -1.188 -7.675 -0.000) 7.766 4.961 ( 6.299 -9.920 -0.000) 11.751 5.054 ( -2.856 -7.069 -0.000) 7.624 5.119 ( 0.852 -1.526 0.000) 1.748 5.286 ( -14.795 -6.943 0.000) 16.344 6.071 ( 1.234 -13.611 0.000) 13.667 6.134 ( -5.066 -12.264 0.000) 13.269 6.635 ( 7.948 -16.830 0.000) 18.612 6.844 ( -13.180 -20.903 0.000) 24.711 7.237 ( 8.967 -1.614 0.000) 9.111 7.397 ( -4.199 0.465 0.000) 4.225 7.568 ( 4.135 1.205 -0.000) 4.307 7.647 ( -0.636 0.494 0.000) 0.805 7.900 ( 1.662 0.138 0.000) 1.668 7.987 ( 15.986 20.024 -0.000) 25.622 8.044 ( -8.732 7.136 -0.000) 11.277 8.389 ( -20.227 21.995 -0.000) 29.882 8.706 ( 6.954 11.039 0.000) 13.047 8.833 ( -5.519 10.030 0.000) 11.448 9.240 ( 5.274 2.701 0.000) 5.926 9.296 ( -0.050 4.189 0.000) 4.189 9.443 ( 10.430 -1.287 0.000) 10.509 9.595 ( -4.982 -7.838 0.000) 9.287 9.704 ( 2.807 3.731 -0.000) 4.669 9.784 ( -5.721 4.766 0.000) 7.446 10.412 ( 3.604 -2.335 0.000) 4.294 10.436 ( 1.769 -6.219 0.000) 6.466 11.042 ( 1.965 -15.476 0.000) 15.600 11.120 ( -5.662 -17.009 -0.000) 17.927 12.018 ( 6.827 3.474 -0.000) 7.660 12.187 ( -10.451 2.095 0.000) 10.659 14.502 ( 15.729 20.729 -0.000) 26.021 14.662 ( 8.351 -7.182 0.000) 11.014 14.789 ( -9.029 22.930 0.000) 24.643 14.861 ( -8.580 -8.231 0.000) 11.889 16.868 ( 14.217 18.672 -0.000) 23.468 17.217 ( -18.942 21.541 0.000) 28.685 17.546 ( 5.711 -8.804 -0.000) 10.495 17.622 ( -3.072 -6.893 0.000) 7.547 18.254 ( 2.534 -5.817 -0.000) 6.346 18.279 ( 0.622 -3.137 0.000) 3.198 19.107 ( -1.059 -32.034 0.000) 32.052 19.189 ( -8.686 -25.656 -0.000) 27.086 ======================= Grid point 459 (82/84) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 8.969 8.969 -0.000) 12.684 3.180 ( 4.563 4.563 0.000) 6.454 3.196 ( 4.094 4.094 0.000) 5.790 3.428 ( 5.813 5.813 -0.000) 8.221 3.478 ( 1.045 1.045 0.000) 1.477 3.573 ( -4.375 -4.375 -0.000) 6.187 3.669 ( 0.445 0.445 0.000) 0.630 4.024 ( -4.545 -4.545 0.000) 6.428 4.150 ( 11.076 11.076 0.000) 15.664 4.321 ( -7.634 -7.634 0.000) 10.796 4.448 ( -17.668 -17.668 0.000) 24.986 4.690 ( -5.014 -5.014 -0.000) 7.091 4.749 ( -0.113 -0.113 0.000) 0.159 5.001 ( -3.174 -3.174 -0.000) 4.489 5.146 ( -2.796 -2.796 0.000) 3.955 5.387 ( -12.351 -12.351 0.000) 17.467 5.893 ( -6.799 -6.799 0.000) 9.615 6.062 ( -9.791 -9.791 0.000) 13.847 6.385 ( -4.308 -4.308 0.000) 6.093 6.753 ( -17.766 -17.766 0.000) 25.125 7.124 ( 4.840 4.840 -0.000) 6.844 7.443 ( 8.427 8.427 0.000) 11.918 7.540 ( -7.115 -7.115 0.000) 10.062 7.643 ( 1.074 1.074 0.000) 1.518 7.884 ( 0.929 0.929 0.000) 1.314 8.011 ( 19.949 19.949 -0.000) 28.212 8.309 ( -3.371 -3.371 0.000) 4.767 8.704 ( 8.669 8.669 0.000) 12.260 9.031 ( -1.224 -1.224 0.000) 1.731 9.091 ( 3.171 3.171 -0.000) 4.484 9.150 ( -0.433 -0.433 0.000) 0.612 9.161 ( 2.318 2.318 0.000) 3.278 9.350 ( 9.084 9.084 0.000) 12.847 9.476 ( -6.420 -6.420 0.000) 9.079 9.703 ( 4.705 4.705 0.000) 6.654 10.063 ( -1.297 -1.297 0.000) 1.835 10.147 ( -1.372 -1.372 0.000) 1.941 10.355 ( 2.432 2.432 0.000) 3.440 10.884 ( -6.929 -6.929 0.000) 9.799 10.987 ( -13.076 -13.076 -0.000) 18.492 11.989 ( 4.541 4.541 -0.000) 6.423 12.340 ( -5.659 -5.659 0.000) 8.002 14.450 ( 1.614 1.614 0.000) 2.283 14.549 ( 19.587 19.587 -0.000) 27.700 14.869 ( -7.351 -7.351 0.000) 10.397 15.227 ( 13.292 13.292 -0.000) 18.797 16.955 ( 4.980 4.980 -0.000) 7.043 17.284 ( 4.797 4.797 0.000) 6.783 17.550 ( -4.133 -4.133 0.000) 5.845 17.861 ( 6.722 6.722 0.000) 9.506 18.135 ( -3.009 -3.009 -0.000) 4.255 18.167 ( -2.587 -2.587 0.000) 3.659 18.671 ( -24.906 -24.906 0.000) 35.223 19.043 ( -18.097 -18.097 -0.000) 25.593 ======================= Grid point 461 (83/84) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 8.264 -3.578 -0.000) 9.005 3.176 ( -3.401 -4.000 0.000) 5.250 3.321 ( 7.263 -4.674 0.000) 8.637 3.443 ( -3.474 -1.054 -0.000) 3.631 3.565 ( 8.563 -0.670 -0.000) 8.589 3.573 ( 3.501 6.021 0.000) 6.965 3.667 ( -1.426 6.879 0.000) 7.026 3.910 ( -21.332 -1.447 -0.000) 21.381 4.022 ( 5.593 -4.950 0.000) 7.469 4.188 ( -9.240 -2.539 0.000) 9.582 4.473 ( 10.458 -6.899 0.000) 12.528 4.607 ( -3.989 -3.983 -0.000) 5.637 4.798 ( 4.820 -6.217 -0.000) 7.866 4.922 ( -5.838 -6.971 -0.000) 9.093 5.097 ( -0.960 -1.313 0.000) 1.626 5.162 ( -8.525 -5.394 0.000) 10.089 5.833 ( 0.534 -9.744 -0.000) 9.758 5.902 ( -6.121 -10.688 0.000) 12.316 6.365 ( 2.383 -10.198 0.000) 10.473 6.482 ( -9.713 -14.754 0.000) 17.664 7.242 ( 6.873 1.532 0.000) 7.042 7.386 ( -7.573 -1.598 0.000) 7.740 7.600 ( 5.395 1.858 0.000) 5.706 7.652 ( -0.530 0.108 0.000) 0.541 7.964 ( 7.744 6.063 0.000) 9.836 8.160 ( -10.475 5.373 0.000) 11.773 8.415 ( 20.565 21.257 -0.000) 29.576 8.775 ( -10.949 15.924 -0.000) 19.325 8.922 ( -1.218 11.122 0.000) 11.188 8.984 ( -2.958 4.389 0.000) 5.293 9.189 ( 5.732 -3.660 0.000) 6.801 9.294 ( -2.556 -3.737 0.000) 4.528 9.415 ( 2.982 -10.401 -0.000) 10.820 9.460 ( 1.176 -0.133 0.000) 1.184 9.807 ( 5.152 6.647 -0.000) 8.410 9.914 ( -6.777 8.614 0.000) 10.960 10.281 ( 8.011 -8.748 0.000) 11.862 10.383 ( -1.105 -0.060 0.000) 1.107 10.771 ( -4.081 -12.068 -0.000) 12.739 10.779 ( -6.353 -17.405 0.000) 18.528 12.091 ( 5.880 3.862 0.000) 7.035 12.216 ( -6.626 0.697 0.000) 6.662 14.534 ( 6.457 -4.454 0.000) 7.844 14.681 ( -7.635 -7.018 0.000) 10.370 14.983 ( 19.468 24.570 -0.000) 31.347 15.285 ( -8.158 24.603 -0.000) 25.921 17.121 ( 15.630 3.284 -0.000) 15.971 17.439 ( 7.978 1.660 -0.000) 8.149 17.444 ( -9.540 -4.455 0.000) 10.529 17.655 ( -18.283 15.236 0.000) 23.799 18.124 ( 2.144 -6.412 -0.000) 6.761 18.196 ( -2.659 -5.185 0.000) 5.827 18.462 ( 6.740 -31.717 0.000) 32.425 18.713 ( -15.499 -21.751 -0.000) 26.708 ======================= Grid point 483 (84/84) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( -0.177 -0.177 0.000) 0.251 3.069 ( -4.969 -4.969 0.000) 7.027 3.284 ( 1.077 1.077 0.000) 1.523 3.358 ( -5.734 -5.734 0.000) 8.108 3.597 ( 4.404 4.404 0.000) 6.229 3.680 ( 1.412 1.412 0.000) 1.997 3.794 ( 3.135 3.135 0.000) 4.434 3.804 ( -4.554 -4.554 0.000) 6.441 3.976 ( 1.692 1.692 -0.000) 2.393 4.087 ( -6.966 -6.966 0.000) 9.852 4.491 ( 5.680 5.680 0.000) 8.033 4.566 ( -1.336 -1.336 0.000) 1.890 4.721 ( -1.289 -1.289 0.000) 1.822 4.779 ( -6.767 -6.767 -0.000) 9.570 5.069 ( -1.004 -1.004 0.000) 1.420 5.082 ( -2.539 -2.539 0.000) 3.591 5.713 ( -2.290 -2.290 0.000) 3.239 5.742 ( -5.082 -5.082 -0.000) 7.187 6.242 ( -2.265 -2.265 0.000) 3.204 6.279 ( -6.025 -6.025 0.000) 8.520 7.287 ( 2.767 2.767 0.000) 3.913 7.342 ( -2.682 -2.682 0.000) 3.793 7.632 ( 1.307 1.307 0.000) 1.848 7.649 ( -0.443 -0.443 0.000) 0.627 8.107 ( 7.412 7.412 0.000) 10.483 8.206 ( -1.519 -1.519 0.000) 2.149 8.806 ( 17.723 17.723 -0.000) 25.063 8.960 ( 2.736 2.736 0.000) 3.869 9.006 ( 0.436 0.436 -0.000) 0.617 9.129 ( -0.434 -0.434 -0.000) 0.614 9.176 ( 1.092 1.092 0.000) 1.545 9.200 ( -0.270 -0.270 0.000) 0.382 9.214 ( -4.148 -4.148 0.000) 5.866 9.378 ( -8.073 -8.073 0.000) 11.417 9.957 ( 8.084 8.084 -0.000) 11.432 10.093 ( -0.919 -0.919 0.000) 1.300 10.159 ( 6.880 6.880 0.000) 9.730 10.421 ( 0.888 0.888 0.000) 1.256 10.448 ( -12.871 -12.871 -0.000) 18.202 10.563 ( -9.066 -9.066 0.000) 12.821 12.163 ( 3.201 3.201 0.000) 4.527 12.209 ( -1.411 -1.411 0.000) 1.996 14.496 ( 0.650 0.650 0.000) 0.919 14.555 ( -5.078 -5.078 0.000) 7.181 15.451 ( 20.248 20.248 -0.000) 28.635 15.627 ( 5.715 5.715 0.000) 8.082 17.093 ( 1.841 1.841 -0.000) 2.604 17.273 ( -12.092 -12.092 -0.000) 17.101 17.591 ( 10.049 10.049 0.000) 14.212 17.819 ( -10.450 -10.450 0.000) 14.778 18.047 ( -0.665 -0.665 -0.000) 0.941 18.051 ( 2.598 2.598 0.000) 3.674 18.123 ( -1.213 -1.213 0.000) 1.716 18.345 ( -16.155 -16.155 0.000) 22.847 =================== 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 3/39204 10.0 1127.979 1127.979 1170.874 -0.000 -0.000 0.000 3/39204 20.0 334.730 334.730 281.012 -0.000 -0.000 0.000 3/39204 30.0 151.770 151.770 112.049 -0.000 0.000 0.000 3/39204 40.0 84.446 84.446 57.874 -0.000 0.000 0.000 3/39204 50.0 51.488 51.488 33.894 -0.000 0.000 0.000 3/39204 60.0 33.787 33.787 21.644 -0.000 0.000 0.000 3/39204 70.0 23.713 23.713 14.862 -0.000 0.000 0.000 3/39204 80.0 17.646 17.646 10.853 -0.000 -0.000 0.000 3/39204 90.0 13.781 13.781 8.338 -0.000 -0.000 0.000 3/39204 100.0 11.190 11.190 6.674 -0.000 -0.000 0.000 3/39204 110.0 9.373 9.373 5.521 -0.000 -0.000 0.000 3/39204 120.0 8.047 8.047 4.689 -0.000 -0.000 0.000 3/39204 130.0 7.048 7.048 4.068 -0.000 -0.000 0.000 3/39204 140.0 6.274 6.274 3.591 -0.000 -0.000 0.000 3/39204 150.0 5.660 5.660 3.215 -0.000 -0.000 0.000 3/39204 160.0 5.162 5.162 2.912 -0.000 -0.000 0.000 3/39204 170.0 4.752 4.752 2.664 -0.000 -0.000 0.000 3/39204 180.0 4.408 4.408 2.458 -0.000 -0.000 0.000 3/39204 190.0 4.116 4.116 2.283 -0.000 -0.000 0.000 3/39204 200.0 3.865 3.865 2.133 -0.000 -0.000 0.000 3/39204 210.0 3.646 3.646 2.003 -0.000 -0.000 0.000 3/39204 220.0 3.455 3.455 1.890 -0.000 -0.000 0.000 3/39204 230.0 3.284 3.284 1.790 -0.000 -0.000 0.000 3/39204 240.0 3.132 3.132 1.701 -0.000 -0.000 0.000 3/39204 250.0 2.996 2.996 1.621 -0.000 -0.000 0.000 3/39204 260.0 2.872 2.872 1.549 -0.000 -0.000 0.000 3/39204 270.0 2.759 2.759 1.484 -0.000 -0.000 0.000 3/39204 280.0 2.656 2.656 1.424 -0.000 -0.000 0.000 3/39204 290.0 2.561 2.561 1.370 -0.000 -0.000 0.000 3/39204 300.0 2.473 2.473 1.319 -0.000 -0.000 0.000 3/39204 310.0 2.392 2.392 1.273 -0.000 -0.000 0.000 3/39204 320.0 2.316 2.316 1.230 -0.000 -0.000 0.000 3/39204 330.0 2.246 2.246 1.190 -0.000 -0.000 0.000 3/39204 340.0 2.179 2.179 1.153 -0.000 -0.000 0.000 3/39204 350.0 2.117 2.117 1.118 -0.000 -0.000 0.000 3/39204 360.0 2.059 2.059 1.085 -0.000 -0.000 0.000 3/39204 370.0 2.004 2.004 1.054 -0.000 -0.000 0.000 3/39204 380.0 1.952 1.952 1.025 -0.000 -0.000 0.000 3/39204 390.0 1.902 1.902 0.998 -0.000 -0.000 0.000 3/39204 400.0 1.856 1.856 0.972 -0.000 -0.000 0.000 3/39204 410.0 1.811 1.811 0.947 -0.000 -0.000 0.000 3/39204 420.0 1.769 1.769 0.924 -0.000 -0.000 0.000 3/39204 430.0 1.729 1.729 0.902 -0.000 -0.000 0.000 3/39204 440.0 1.690 1.690 0.881 -0.000 -0.000 0.000 3/39204 450.0 1.653 1.653 0.861 -0.000 -0.000 0.000 3/39204 460.0 1.618 1.618 0.842 -0.000 -0.000 0.000 3/39204 470.0 1.585 1.585 0.824 -0.000 -0.000 0.000 3/39204 480.0 1.552 1.552 0.806 -0.000 -0.000 0.000 3/39204 490.0 1.521 1.521 0.789 -0.000 -0.000 0.000 3/39204 500.0 1.492 1.492 0.773 -0.000 -0.000 0.000 3/39204 510.0 1.463 1.463 0.758 -0.000 -0.000 0.000 3/39204 520.0 1.436 1.436 0.743 -0.000 -0.000 0.000 3/39204 530.0 1.409 1.409 0.729 -0.000 -0.000 0.000 3/39204 540.0 1.384 1.384 0.715 -0.000 -0.000 0.000 3/39204 550.0 1.359 1.359 0.702 -0.000 -0.000 0.000 3/39204 560.0 1.335 1.335 0.689 -0.000 -0.000 0.000 3/39204 570.0 1.313 1.313 0.677 -0.000 -0.000 0.000 3/39204 580.0 1.290 1.290 0.665 -0.000 -0.000 0.000 3/39204 590.0 1.269 1.269 0.654 -0.000 -0.000 0.000 3/39204 600.0 1.248 1.248 0.643 -0.000 -0.000 0.000 3/39204 610.0 1.228 1.228 0.632 -0.000 -0.000 0.000 3/39204 620.0 1.209 1.209 0.622 -0.000 -0.000 0.000 3/39204 630.0 1.190 1.190 0.612 -0.000 -0.000 0.000 3/39204 640.0 1.172 1.172 0.603 -0.000 -0.000 0.000 3/39204 650.0 1.154 1.154 0.593 -0.000 -0.000 0.000 3/39204 660.0 1.137 1.137 0.584 -0.000 -0.000 0.000 3/39204 670.0 1.121 1.121 0.576 -0.000 -0.000 0.000 3/39204 680.0 1.105 1.105 0.567 -0.000 -0.000 0.000 3/39204 690.0 1.089 1.089 0.559 -0.000 -0.000 0.000 3/39204 700.0 1.074 1.074 0.551 -0.000 -0.000 0.000 3/39204 710.0 1.059 1.059 0.543 -0.000 -0.000 0.000 3/39204 720.0 1.044 1.044 0.535 -0.000 -0.000 0.000 3/39204 730.0 1.030 1.030 0.528 -0.000 -0.000 0.000 3/39204 740.0 1.017 1.017 0.521 -0.000 -0.000 0.000 3/39204 750.0 1.003 1.003 0.514 -0.000 -0.000 0.000 3/39204 760.0 0.990 0.990 0.507 -0.000 -0.000 0.000 3/39204 770.0 0.978 0.978 0.501 -0.000 -0.000 0.000 3/39204 780.0 0.965 0.965 0.494 -0.000 -0.000 0.000 3/39204 790.0 0.953 0.953 0.488 -0.000 -0.000 0.000 3/39204 800.0 0.942 0.942 0.482 -0.000 -0.000 0.000 3/39204 810.0 0.930 0.930 0.476 -0.000 -0.000 0.000 3/39204 820.0 0.919 0.919 0.470 -0.000 -0.000 0.000 3/39204 830.0 0.908 0.908 0.464 -0.000 -0.000 0.000 3/39204 840.0 0.898 0.898 0.459 -0.000 -0.000 0.000 3/39204 850.0 0.887 0.887 0.453 -0.000 -0.000 0.000 3/39204 860.0 0.877 0.877 0.448 -0.000 -0.000 0.000 3/39204 870.0 0.867 0.867 0.443 -0.000 -0.000 0.000 3/39204 880.0 0.857 0.857 0.438 -0.000 -0.000 0.000 3/39204 890.0 0.848 0.848 0.433 -0.000 -0.000 0.000 3/39204 900.0 0.839 0.839 0.428 -0.000 -0.000 0.000 3/39204 910.0 0.829 0.829 0.423 -0.000 -0.000 0.000 3/39204 920.0 0.821 0.821 0.419 -0.000 -0.000 0.000 3/39204 930.0 0.812 0.812 0.414 -0.000 -0.000 0.000 3/39204 940.0 0.803 0.803 0.410 -0.000 -0.000 0.000 3/39204 950.0 0.795 0.795 0.406 -0.000 -0.000 0.000 3/39204 960.0 0.787 0.787 0.401 -0.000 -0.000 0.000 3/39204 970.0 0.779 0.779 0.397 -0.000 -0.000 0.000 3/39204 980.0 0.771 0.771 0.393 -0.000 -0.000 0.000 3/39204 990.0 0.763 0.763 0.389 -0.000 -0.000 0.000 3/39204 1000.0 0.756 0.756 0.385 -0.000 -0.000 0.000 3/39204 Thermal conductivity related properties were written into "kappa-m11116.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:30:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|