----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:15:04]------------------------- 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: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.271296619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.683178580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.038141410000000 Atomic positions (fractional): *1 O 0.60080741577948 0.25000000000000 0.92410636163854 15.999 2 O 0.39919258422052 0.75000000000000 0.07589363836146 15.999 3 O 0.89919258422052 0.75000000000000 0.42410636163854 15.999 4 O 0.10080741577948 0.25000000000000 0.57589363836146 15.999 *5 O 0.27535972958910 0.00062251087479 0.35921756130299 15.999 6 O 0.72464027041090 0.50062251087479 0.64078243869701 15.999 7 O 0.22464027041090 0.99937748912521 0.85921756130299 15.999 8 O 0.77535972958910 0.49937748912521 0.14078243869701 15.999 9 O 0.72464027041090 0.99937748912521 0.64078243869701 15.999 10 O 0.27535972958910 0.49937748912521 0.35921756130299 15.999 11 O 0.77535972958910 0.00062251087479 0.14078243869701 15.999 12 O 0.22464027041090 0.50062251087479 0.85921756130299 15.999 *13 O 0.06535628586869 0.49802593044738 0.16546918326330 15.999 14 O 0.93464371413131 0.99802593044738 0.83453081673670 15.999 15 O 0.43464371413131 0.50197406955262 0.66546918326330 15.999 16 O 0.56535628586869 0.00197406955262 0.33453081673670 15.999 17 O 0.43464371413131 0.99802593044738 0.66546918326330 15.999 18 O 0.56535628586869 0.49802593044738 0.33453081673670 15.999 19 O 0.06535628586869 0.00197406955262 0.16546918326330 15.999 20 O 0.93464371413131 0.50197406955262 0.83453081673670 15.999 *21 Zn 0.15045980465211 0.25000000000000 0.30896132631953 65.380 22 Zn 0.84954019534789 0.75000000000000 0.69103867368047 65.380 23 Zn 0.34954019534789 0.75000000000000 0.80896132631953 65.380 24 Zn 0.65045980465211 0.25000000000000 0.19103867368047 65.380 *25 Y 0.57457985280662 0.25000000000000 0.59983017466252 88.906 26 Y 0.42542014719338 0.75000000000000 0.40016982533748 88.906 27 Y 0.92542014719338 0.75000000000000 0.09983017466252 88.906 28 Y 0.07457985280662 0.25000000000000 0.90016982533748 88.906 *29 Y 0.79222647651182 0.25000000000000 0.88003925800512 88.906 30 Y 0.20777352348818 0.75000000000000 0.11996074199488 88.906 31 Y 0.70777352348818 0.75000000000000 0.38003925800512 88.906 32 Y 0.29222647651182 0.25000000000000 0.61996074199488 88.906 *33 Ba 0.39916556998501 0.25000000000000 0.07717116006470 137.327 34 Ba 0.60083443001500 0.75000000000000 0.92282883993530 137.327 35 Ba 0.10083443001499 0.75000000000000 0.57717116006470 137.327 36 Ba 0.89916556998500 0.25000000000000 0.42282883993530 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.271296619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.683178580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.038141410000000 Atomic positions (fractional): *1 O 0.60080741577948 0.25000000000000 0.92410636163854 15.999 > 1 2 O 0.39919258422052 0.75000000000000 0.07589363836146 15.999 > 2 3 O 0.89919258422052 0.75000000000000 0.42410636163854 15.999 > 3 4 O 0.10080741577948 0.25000000000000 0.57589363836146 15.999 > 4 *5 O 0.27535972958910 0.00062251087479 0.35921756130299 15.999 > 5 6 O 0.72464027041090 0.50062251087479 0.64078243869701 15.999 > 6 7 O 0.22464027041090 0.99937748912521 0.85921756130299 15.999 > 7 8 O 0.77535972958910 0.49937748912521 0.14078243869701 15.999 > 8 9 O 0.72464027041090 0.99937748912521 0.64078243869701 15.999 > 9 10 O 0.27535972958910 0.49937748912521 0.35921756130299 15.999 > 10 11 O 0.77535972958910 0.00062251087479 0.14078243869701 15.999 > 11 12 O 0.22464027041090 0.50062251087479 0.85921756130299 15.999 > 12 *13 O 0.06535628586869 0.49802593044738 0.16546918326330 15.999 > 13 14 O 0.93464371413131 0.99802593044738 0.83453081673670 15.999 > 14 15 O 0.43464371413131 0.50197406955262 0.66546918326330 15.999 > 15 16 O 0.56535628586869 0.00197406955262 0.33453081673670 15.999 > 16 17 O 0.43464371413131 0.99802593044738 0.66546918326330 15.999 > 17 18 O 0.56535628586869 0.49802593044738 0.33453081673670 15.999 > 18 19 O 0.06535628586869 0.00197406955262 0.16546918326330 15.999 > 19 20 O 0.93464371413131 0.50197406955262 0.83453081673670 15.999 > 20 *21 Zn 0.15045980465211 0.25000000000000 0.30896132631953 65.380 > 21 22 Zn 0.84954019534789 0.75000000000000 0.69103867368047 65.380 > 22 23 Zn 0.34954019534789 0.75000000000000 0.80896132631953 65.380 > 23 24 Zn 0.65045980465211 0.25000000000000 0.19103867368047 65.380 > 24 *25 Y 0.57457985280662 0.25000000000000 0.59983017466252 88.906 > 25 26 Y 0.42542014719338 0.75000000000000 0.40016982533748 88.906 > 26 27 Y 0.92542014719338 0.75000000000000 0.09983017466252 88.906 > 27 28 Y 0.07457985280662 0.25000000000000 0.90016982533748 88.906 > 28 *29 Y 0.79222647651182 0.25000000000000 0.88003925800512 88.906 > 29 30 Y 0.20777352348818 0.75000000000000 0.11996074199488 88.906 > 30 31 Y 0.70777352348818 0.75000000000000 0.38003925800512 88.906 > 31 32 Y 0.29222647651182 0.25000000000000 0.61996074199488 88.906 > 32 *33 Ba 0.39916556998501 0.25000000000000 0.07717116006470 137.327 > 33 34 Ba 0.60083443001500 0.75000000000000 0.92282883993530 137.327 > 34 35 Ba 0.10083443001499 0.75000000000000 0.57717116006470 137.327 > 35 36 Ba 0.89916556998500 0.25000000000000 0.42282883993530 137.327 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.271296619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.366357160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.076282819999999 Atomic positions (fractional): *1 O 0.60080741577948 0.12500000000000 0.46205318081927 15.999 > 1 2 O 0.60080741577948 0.62500000000000 0.46205318081927 15.999 > 1 3 O 0.60080741577948 0.12500000000000 0.96205318081927 15.999 > 1 4 O 0.60080741577948 0.62500000000000 0.96205318081927 15.999 > 1 5 O 0.39919258422052 0.37500000000000 0.03794681918073 15.999 > 2 6 O 0.39919258422052 0.87500000000000 0.03794681918073 15.999 > 2 7 O 0.39919258422052 0.37500000000000 0.53794681918073 15.999 > 2 8 O 0.39919258422052 0.87500000000000 0.53794681918073 15.999 > 2 9 O 0.89919258422052 0.37500000000000 0.21205318081927 15.999 > 3 10 O 0.89919258422052 0.87500000000000 0.21205318081927 15.999 > 3 11 O 0.89919258422052 0.37500000000000 0.71205318081927 15.999 > 3 12 O 0.89919258422052 0.87500000000000 0.71205318081927 15.999 > 3 13 O 0.10080741577948 0.12500000000000 0.28794681918073 15.999 > 4 14 O 0.10080741577948 0.62500000000000 0.28794681918073 15.999 > 4 15 O 0.10080741577948 0.12500000000000 0.78794681918073 15.999 > 4 16 O 0.10080741577948 0.62500000000000 0.78794681918073 15.999 > 4 *17 O 0.27535972958910 0.00031125543739 0.17960878065149 15.999 > 5 18 O 0.27535972958910 0.50031125543739 0.17960878065149 15.999 > 5 19 O 0.27535972958910 0.00031125543739 0.67960878065149 15.999 > 5 20 O 0.27535972958910 0.50031125543739 0.67960878065149 15.999 > 5 21 O 0.72464027041090 0.25031125543739 0.32039121934851 15.999 > 6 22 O 0.72464027041090 0.75031125543739 0.32039121934851 15.999 > 6 23 O 0.72464027041090 0.25031125543739 0.82039121934851 15.999 > 6 24 O 0.72464027041090 0.75031125543739 0.82039121934851 15.999 > 6 25 O 0.22464027041090 0.49968874456261 0.42960878065149 15.999 > 7 26 O 0.22464027041090 0.99968874456261 0.42960878065149 15.999 > 7 27 O 0.22464027041090 0.49968874456261 0.92960878065149 15.999 > 7 28 O 0.22464027041090 0.99968874456261 0.92960878065149 15.999 > 7 29 O 0.77535972958910 0.24968874456261 0.07039121934851 15.999 > 8 30 O 0.77535972958910 0.74968874456261 0.07039121934851 15.999 > 8 31 O 0.77535972958910 0.24968874456261 0.57039121934851 15.999 > 8 32 O 0.77535972958910 0.74968874456261 0.57039121934851 15.999 > 8 33 O 0.72464027041090 0.49968874456261 0.32039121934851 15.999 > 9 34 O 0.72464027041090 0.99968874456261 0.32039121934851 15.999 > 9 35 O 0.72464027041090 0.49968874456261 0.82039121934851 15.999 > 9 36 O 0.72464027041090 0.99968874456261 0.82039121934851 15.999 > 9 37 O 0.27535972958910 0.24968874456261 0.17960878065149 15.999 > 10 38 O 0.27535972958910 0.74968874456261 0.17960878065149 15.999 > 10 39 O 0.27535972958910 0.24968874456261 0.67960878065149 15.999 > 10 40 O 0.27535972958910 0.74968874456261 0.67960878065149 15.999 > 10 41 O 0.77535972958910 0.00031125543739 0.07039121934851 15.999 > 11 42 O 0.77535972958910 0.50031125543739 0.07039121934851 15.999 > 11 43 O 0.77535972958910 0.00031125543739 0.57039121934851 15.999 > 11 44 O 0.77535972958910 0.50031125543739 0.57039121934851 15.999 > 11 45 O 0.22464027041090 0.25031125543739 0.42960878065149 15.999 > 12 46 O 0.22464027041090 0.75031125543739 0.42960878065149 15.999 > 12 47 O 0.22464027041090 0.25031125543739 0.92960878065149 15.999 > 12 48 O 0.22464027041090 0.75031125543739 0.92960878065149 15.999 > 12 *49 O 0.06535628586869 0.24901296522369 0.08273459163165 15.999 > 13 50 O 0.06535628586869 0.74901296522369 0.08273459163165 15.999 > 13 51 O 0.06535628586869 0.24901296522369 0.58273459163165 15.999 > 13 52 O 0.06535628586869 0.74901296522369 0.58273459163165 15.999 > 13 53 O 0.93464371413131 0.49901296522369 0.41726540836835 15.999 > 14 54 O 0.93464371413131 0.99901296522369 0.41726540836835 15.999 > 14 55 O 0.93464371413131 0.49901296522369 0.91726540836835 15.999 > 14 56 O 0.93464371413131 0.99901296522369 0.91726540836835 15.999 > 14 57 O 0.43464371413131 0.25098703477631 0.33273459163165 15.999 > 15 58 O 0.43464371413131 0.75098703477631 0.33273459163165 15.999 > 15 59 O 0.43464371413131 0.25098703477631 0.83273459163165 15.999 > 15 60 O 0.43464371413131 0.75098703477631 0.83273459163165 15.999 > 15 61 O 0.56535628586869 0.00098703477631 0.16726540836835 15.999 > 16 62 O 0.56535628586869 0.50098703477631 0.16726540836835 15.999 > 16 63 O 0.56535628586869 0.00098703477631 0.66726540836835 15.999 > 16 64 O 0.56535628586869 0.50098703477631 0.66726540836835 15.999 > 16 65 O 0.43464371413131 0.49901296522369 0.33273459163165 15.999 > 17 66 O 0.43464371413131 0.99901296522369 0.33273459163165 15.999 > 17 67 O 0.43464371413131 0.49901296522369 0.83273459163165 15.999 > 17 68 O 0.43464371413131 0.99901296522369 0.83273459163165 15.999 > 17 69 O 0.56535628586869 0.24901296522369 0.16726540836835 15.999 > 18 70 O 0.56535628586869 0.74901296522369 0.16726540836835 15.999 > 18 71 O 0.56535628586869 0.24901296522369 0.66726540836835 15.999 > 18 72 O 0.56535628586869 0.74901296522369 0.66726540836835 15.999 > 18 73 O 0.06535628586869 0.00098703477631 0.08273459163165 15.999 > 19 74 O 0.06535628586869 0.50098703477631 0.08273459163165 15.999 > 19 75 O 0.06535628586869 0.00098703477631 0.58273459163165 15.999 > 19 76 O 0.06535628586869 0.50098703477631 0.58273459163165 15.999 > 19 77 O 0.93464371413131 0.25098703477631 0.41726540836835 15.999 > 20 78 O 0.93464371413131 0.75098703477631 0.41726540836835 15.999 > 20 79 O 0.93464371413131 0.25098703477631 0.91726540836835 15.999 > 20 80 O 0.93464371413131 0.75098703477631 0.91726540836835 15.999 > 20 *81 Zn 0.15045980465211 0.12500000000000 0.15448066315977 65.380 > 21 82 Zn 0.15045980465211 0.62500000000000 0.15448066315977 65.380 > 21 83 Zn 0.15045980465211 0.12500000000000 0.65448066315977 65.380 > 21 84 Zn 0.15045980465211 0.62500000000000 0.65448066315977 65.380 > 21 85 Zn 0.84954019534789 0.37500000000000 0.34551933684023 65.380 > 22 86 Zn 0.84954019534789 0.87500000000000 0.34551933684023 65.380 > 22 87 Zn 0.84954019534789 0.37500000000000 0.84551933684023 65.380 > 22 88 Zn 0.84954019534789 0.87500000000000 0.84551933684023 65.380 > 22 89 Zn 0.34954019534789 0.37500000000000 0.40448066315977 65.380 > 23 90 Zn 0.34954019534789 0.87500000000000 0.40448066315977 65.380 > 23 91 Zn 0.34954019534789 0.37500000000000 0.90448066315977 65.380 > 23 92 Zn 0.34954019534789 0.87500000000000 0.90448066315977 65.380 > 23 93 Zn 0.65045980465211 0.12500000000000 0.09551933684023 65.380 > 24 94 Zn 0.65045980465211 0.62500000000000 0.09551933684023 65.380 > 24 95 Zn 0.65045980465211 0.12500000000000 0.59551933684023 65.380 > 24 96 Zn 0.65045980465211 0.62500000000000 0.59551933684023 65.380 > 24 *97 Y 0.57457985280662 0.12500000000000 0.29991508733126 88.906 > 25 98 Y 0.57457985280662 0.62500000000000 0.29991508733126 88.906 > 25 99 Y 0.57457985280662 0.12500000000000 0.79991508733126 88.906 > 25 100 Y 0.57457985280662 0.62500000000000 0.79991508733126 88.906 > 25 101 Y 0.42542014719338 0.37500000000000 0.20008491266874 88.906 > 26 102 Y 0.42542014719338 0.87500000000000 0.20008491266874 88.906 > 26 103 Y 0.42542014719338 0.37500000000000 0.70008491266874 88.906 > 26 104 Y 0.42542014719338 0.87500000000000 0.70008491266874 88.906 > 26 105 Y 0.92542014719338 0.37500000000000 0.04991508733126 88.906 > 27 106 Y 0.92542014719338 0.87500000000000 0.04991508733126 88.906 > 27 107 Y 0.92542014719338 0.37500000000000 0.54991508733126 88.906 > 27 108 Y 0.92542014719338 0.87500000000000 0.54991508733126 88.906 > 27 109 Y 0.07457985280662 0.12500000000000 0.45008491266874 88.906 > 28 110 Y 0.07457985280662 0.62500000000000 0.45008491266874 88.906 > 28 111 Y 0.07457985280662 0.12500000000000 0.95008491266874 88.906 > 28 112 Y 0.07457985280662 0.62500000000000 0.95008491266874 88.906 > 28 *113 Y 0.79222647651182 0.12500000000000 0.44001962900256 88.906 > 29 114 Y 0.79222647651182 0.62500000000000 0.44001962900256 88.906 > 29 115 Y 0.79222647651182 0.12500000000000 0.94001962900256 88.906 > 29 116 Y 0.79222647651182 0.62500000000000 0.94001962900256 88.906 > 29 117 Y 0.20777352348818 0.37500000000000 0.05998037099744 88.906 > 30 118 Y 0.20777352348818 0.87500000000000 0.05998037099744 88.906 > 30 119 Y 0.20777352348818 0.37500000000000 0.55998037099744 88.906 > 30 120 Y 0.20777352348818 0.87500000000000 0.55998037099744 88.906 > 30 121 Y 0.70777352348818 0.37500000000000 0.19001962900256 88.906 > 31 122 Y 0.70777352348818 0.87500000000000 0.19001962900256 88.906 > 31 123 Y 0.70777352348818 0.37500000000000 0.69001962900256 88.906 > 31 124 Y 0.70777352348818 0.87500000000000 0.69001962900256 88.906 > 31 125 Y 0.29222647651182 0.12500000000000 0.30998037099744 88.906 > 32 126 Y 0.29222647651182 0.62500000000000 0.30998037099744 88.906 > 32 127 Y 0.29222647651182 0.12500000000000 0.80998037099744 88.906 > 32 128 Y 0.29222647651182 0.62500000000000 0.80998037099744 88.906 > 32 *129 Ba 0.39916556998501 0.12500000000000 0.03858558003235 137.327 > 33 130 Ba 0.39916556998501 0.62500000000000 0.03858558003235 137.327 > 33 131 Ba 0.39916556998501 0.12500000000000 0.53858558003235 137.327 > 33 132 Ba 0.39916556998501 0.62500000000000 0.53858558003235 137.327 > 33 133 Ba 0.60083443001500 0.37500000000000 0.46141441996765 137.327 > 34 134 Ba 0.60083443001500 0.87500000000000 0.46141441996765 137.327 > 34 135 Ba 0.60083443001500 0.37500000000000 0.96141441996765 137.327 > 34 136 Ba 0.60083443001500 0.87500000000000 0.96141441996765 137.327 > 34 137 Ba 0.10083443001499 0.37500000000000 0.28858558003235 137.327 > 35 138 Ba 0.10083443001499 0.87500000000000 0.28858558003235 137.327 > 35 139 Ba 0.10083443001499 0.37500000000000 0.78858558003235 137.327 > 35 140 Ba 0.10083443001499 0.87500000000000 0.78858558003235 137.327 > 35 141 Ba 0.89916556998500 0.12500000000000 0.21141441996765 137.327 > 36 142 Ba 0.89916556998500 0.62500000000000 0.21141441996765 137.327 > 36 143 Ba 0.89916556998500 0.12500000000000 0.71141441996765 137.327 > 36 144 Ba 0.89916556998500 0.62500000000000 0.71141441996765 137.327 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6629709 0.0000000 0.0000000 0.0000000 4.6159773 0.0000000 0.0000000 0.0000000 4.5573398 -------------------------- Born effective charges -------------------------- 1 O -2.5504733 0.0000000 -0.0616416 0.0000000 -2.0636607 0.0000000 -0.0321584 0.0000000 -2.8499876 2 O -2.5504733 0.0000000 -0.0616416 0.0000000 -2.0636607 0.0000000 -0.0321584 0.0000000 -2.8499876 3 O -2.5504733 0.0000000 0.0616416 0.0000000 -2.0636607 0.0000000 0.0321584 0.0000000 -2.8499876 4 O -2.5504733 0.0000000 0.0616416 0.0000000 -2.0636607 0.0000000 0.0321584 0.0000000 -2.8499876 5 O -2.3779660 0.2670176 -0.1571900 0.2678032 -2.6622095 -0.4439663 -0.1711784 -0.4163521 -2.4572951 6 O -2.3779660 -0.2670176 -0.1571900 -0.2678032 -2.6622095 0.4439663 -0.1711784 0.4163521 -2.4572951 7 O -2.3779660 0.2670176 0.1571900 0.2678032 -2.6622095 0.4439663 0.1711784 0.4163521 -2.4572951 8 O -2.3779660 -0.2670176 0.1571900 -0.2678032 -2.6622095 -0.4439663 0.1711784 -0.4163521 -2.4572951 9 O -2.3779660 0.2670176 -0.1571900 0.2678032 -2.6622095 -0.4439663 -0.1711784 -0.4163521 -2.4572951 10 O -2.3779660 -0.2670176 -0.1571900 -0.2678032 -2.6622095 0.4439663 -0.1711784 0.4163521 -2.4572951 11 O -2.3779660 0.2670176 0.1571900 0.2678032 -2.6622095 0.4439663 0.1711784 0.4163521 -2.4572951 12 O -2.3779660 -0.2670176 0.1571900 -0.2678032 -2.6622095 -0.4439663 0.1711784 -0.4163521 -2.4572951 13 O -2.5799796 0.1226327 -0.1676275 0.1683393 -2.5975501 0.0278832 -0.0765566 -0.0074146 -2.1169890 14 O -2.5799796 -0.1226327 -0.1676275 -0.1683393 -2.5975501 -0.0278832 -0.0765566 0.0074146 -2.1169890 15 O -2.5799796 0.1226327 0.1676275 0.1683393 -2.5975501 -0.0278832 0.0765566 0.0074146 -2.1169890 16 O -2.5799796 -0.1226327 0.1676275 -0.1683393 -2.5975501 0.0278832 0.0765566 -0.0074146 -2.1169890 17 O -2.5799796 -0.1226327 0.1676275 -0.1683393 -2.5975501 0.0278832 0.0765566 -0.0074146 -2.1169890 18 O -2.5799796 0.1226327 0.1676275 0.1683393 -2.5975501 -0.0278832 0.0765566 0.0074146 -2.1169890 19 O -2.5799796 -0.1226327 -0.1676275 -0.1683393 -2.5975501 -0.0278832 -0.0765566 0.0074146 -2.1169890 20 O -2.5799796 0.1226327 -0.1676275 0.1683393 -2.5975501 0.0278832 -0.0765566 -0.0074146 -2.1169890 21 Zn 1.9992368 0.0000000 0.3045080 0.0000000 2.3208414 0.0000000 0.2850230 0.0000000 1.8625434 22 Zn 1.9992368 0.0000000 0.3045080 0.0000000 2.3208414 0.0000000 0.2850230 0.0000000 1.8625434 23 Zn 1.9992368 0.0000000 -0.3045080 0.0000000 2.3208414 0.0000000 -0.2850230 0.0000000 1.8625434 24 Zn 1.9992368 0.0000000 -0.3045080 0.0000000 2.3208414 0.0000000 -0.2850230 0.0000000 1.8625434 25 Y 3.9729002 0.0000000 0.0009942 0.0000000 3.6705805 0.0000000 0.1043841 0.0000000 3.7822718 26 Y 3.9729002 0.0000000 0.0009942 0.0000000 3.6705805 0.0000000 0.1043841 0.0000000 3.7822718 27 Y 3.9729002 0.0000000 -0.0009942 0.0000000 3.6705805 0.0000000 -0.1043841 0.0000000 3.7822718 28 Y 3.9729002 0.0000000 -0.0009942 0.0000000 3.6705805 0.0000000 -0.1043841 0.0000000 3.7822718 29 Y 3.6252965 0.0000000 -0.0812048 0.0000000 3.6992993 0.0000000 -0.1064988 0.0000000 3.7567693 30 Y 3.6252965 0.0000000 -0.0812048 0.0000000 3.6992993 0.0000000 -0.1064988 0.0000000 3.7567693 31 Y 3.6252965 0.0000000 0.0812048 0.0000000 3.6992993 0.0000000 0.1064988 0.0000000 3.7567693 32 Y 3.6252965 0.0000000 0.0812048 0.0000000 3.6992993 0.0000000 0.1064988 0.0000000 3.7567693 33 Ba 2.8689311 0.0000000 -0.1349347 0.0000000 2.8924587 0.0000000 -0.0881201 0.0000000 2.5969711 34 Ba 2.8689311 0.0000000 -0.1349347 0.0000000 2.8924587 0.0000000 -0.0881201 0.0000000 2.5969711 35 Ba 2.8689311 0.0000000 0.1349347 0.0000000 2.8924587 0.0000000 0.0881201 0.0000000 2.5969711 36 Ba 2.8689311 0.0000000 0.1349347 0.0000000 2.8924587 0.0000000 0.0881201 0.0000000 2.5969711 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 235 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 13), data: (748, 27) @ (27, 13) |-- (248, 235), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 0.971 Solver_block: 200 / 560 - Time: 0.900 Solver_block: 300 / 560 - Time: 0.898 Solver_block: 400 / 560 - Time: 0.893 Solver_block: 500 / 560 - Time: 0.904 Solver_block: 560 / 560 - Time: 0.589 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.276 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 235 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 13), data: (748, 27) @ (27, 13) |-- (248, 235), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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 21:15:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:15:41]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.271296619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.683178580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.038141410000000 Atomic positions (fractional): 1 O 0.60080741577948 0.25000000000000 0.92410636163854 15.999 2 O 0.39919258422052 0.75000000000000 0.07589363836146 15.999 3 O 0.89919258422052 0.75000000000000 0.42410636163854 15.999 4 O 0.10080741577948 0.25000000000000 0.57589363836146 15.999 5 O 0.27535972958910 0.00062251087479 0.35921756130299 15.999 6 O 0.72464027041090 0.50062251087479 0.64078243869701 15.999 7 O 0.22464027041090 0.99937748912521 0.85921756130299 15.999 8 O 0.77535972958910 0.49937748912521 0.14078243869701 15.999 9 O 0.72464027041090 0.99937748912521 0.64078243869701 15.999 10 O 0.27535972958910 0.49937748912521 0.35921756130299 15.999 11 O 0.77535972958910 0.00062251087479 0.14078243869701 15.999 12 O 0.22464027041090 0.50062251087479 0.85921756130299 15.999 13 O 0.06535628586869 0.49802593044738 0.16546918326330 15.999 14 O 0.93464371413131 0.99802593044738 0.83453081673670 15.999 15 O 0.43464371413131 0.50197406955262 0.66546918326330 15.999 16 O 0.56535628586869 0.00197406955262 0.33453081673670 15.999 17 O 0.43464371413131 0.99802593044738 0.66546918326330 15.999 18 O 0.56535628586869 0.49802593044738 0.33453081673670 15.999 19 O 0.06535628586869 0.00197406955262 0.16546918326330 15.999 20 O 0.93464371413131 0.50197406955262 0.83453081673670 15.999 21 Zn 0.15045980465211 0.25000000000000 0.30896132631953 65.380 22 Zn 0.84954019534789 0.75000000000000 0.69103867368047 65.380 23 Zn 0.34954019534789 0.75000000000000 0.80896132631953 65.380 24 Zn 0.65045980465211 0.25000000000000 0.19103867368047 65.380 25 Y 0.57457985280662 0.25000000000000 0.59983017466252 88.906 26 Y 0.42542014719338 0.75000000000000 0.40016982533748 88.906 27 Y 0.92542014719338 0.75000000000000 0.09983017466252 88.906 28 Y 0.07457985280662 0.25000000000000 0.90016982533748 88.906 29 Y 0.79222647651182 0.25000000000000 0.88003925800512 88.906 30 Y 0.20777352348818 0.75000000000000 0.11996074199488 88.906 31 Y 0.70777352348818 0.75000000000000 0.38003925800512 88.906 32 Y 0.29222647651182 0.25000000000000 0.61996074199488 88.906 33 Ba 0.39916556998501 0.25000000000000 0.07717116006470 137.327 34 Ba 0.60083443001500 0.75000000000000 0.92282883993530 137.327 35 Ba 0.10083443001499 0.75000000000000 0.57717116006470 137.327 36 Ba 0.89916556998500 0.25000000000000 0.42282883993530 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.271296619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.366357160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.076282819999999 Atomic positions (fractional): 1 O 0.60080741577948 0.12500000000000 0.46205318081927 15.999 > 1 2 O 0.60080741577948 0.62500000000000 0.46205318081927 15.999 > 1 3 O 0.60080741577948 0.12500000000000 0.96205318081927 15.999 > 1 4 O 0.60080741577948 0.62500000000000 0.96205318081927 15.999 > 1 5 O 0.39919258422052 0.37500000000000 0.03794681918073 15.999 > 5 6 O 0.39919258422052 0.87500000000000 0.03794681918073 15.999 > 5 7 O 0.39919258422052 0.37500000000000 0.53794681918073 15.999 > 5 8 O 0.39919258422052 0.87500000000000 0.53794681918073 15.999 > 5 9 O 0.89919258422052 0.37500000000000 0.21205318081927 15.999 > 9 10 O 0.89919258422052 0.87500000000000 0.21205318081927 15.999 > 9 11 O 0.89919258422052 0.37500000000000 0.71205318081927 15.999 > 9 12 O 0.89919258422052 0.87500000000000 0.71205318081927 15.999 > 9 13 O 0.10080741577948 0.12500000000000 0.28794681918073 15.999 > 13 14 O 0.10080741577948 0.62500000000000 0.28794681918073 15.999 > 13 15 O 0.10080741577948 0.12500000000000 0.78794681918073 15.999 > 13 16 O 0.10080741577948 0.62500000000000 0.78794681918073 15.999 > 13 17 O 0.27535972958910 0.00031125543739 0.17960878065149 15.999 > 17 18 O 0.27535972958910 0.50031125543739 0.17960878065149 15.999 > 17 19 O 0.27535972958910 0.00031125543739 0.67960878065149 15.999 > 17 20 O 0.27535972958910 0.50031125543739 0.67960878065149 15.999 > 17 21 O 0.72464027041090 0.25031125543739 0.32039121934851 15.999 > 21 22 O 0.72464027041090 0.75031125543739 0.32039121934851 15.999 > 21 23 O 0.72464027041090 0.25031125543739 0.82039121934851 15.999 > 21 24 O 0.72464027041090 0.75031125543739 0.82039121934851 15.999 > 21 25 O 0.22464027041090 0.49968874456261 0.42960878065149 15.999 > 25 26 O 0.22464027041090 0.99968874456261 0.42960878065149 15.999 > 25 27 O 0.22464027041090 0.49968874456261 0.92960878065149 15.999 > 25 28 O 0.22464027041090 0.99968874456261 0.92960878065149 15.999 > 25 29 O 0.77535972958910 0.24968874456261 0.07039121934851 15.999 > 29 30 O 0.77535972958910 0.74968874456261 0.07039121934851 15.999 > 29 31 O 0.77535972958910 0.24968874456261 0.57039121934851 15.999 > 29 32 O 0.77535972958910 0.74968874456261 0.57039121934851 15.999 > 29 33 O 0.72464027041090 0.49968874456261 0.32039121934851 15.999 > 33 34 O 0.72464027041090 0.99968874456261 0.32039121934851 15.999 > 33 35 O 0.72464027041090 0.49968874456261 0.82039121934851 15.999 > 33 36 O 0.72464027041090 0.99968874456261 0.82039121934851 15.999 > 33 37 O 0.27535972958910 0.24968874456261 0.17960878065149 15.999 > 37 38 O 0.27535972958910 0.74968874456261 0.17960878065149 15.999 > 37 39 O 0.27535972958910 0.24968874456261 0.67960878065149 15.999 > 37 40 O 0.27535972958910 0.74968874456261 0.67960878065149 15.999 > 37 41 O 0.77535972958910 0.00031125543739 0.07039121934851 15.999 > 41 42 O 0.77535972958910 0.50031125543739 0.07039121934851 15.999 > 41 43 O 0.77535972958910 0.00031125543739 0.57039121934851 15.999 > 41 44 O 0.77535972958910 0.50031125543739 0.57039121934851 15.999 > 41 45 O 0.22464027041090 0.25031125543739 0.42960878065149 15.999 > 45 46 O 0.22464027041090 0.75031125543739 0.42960878065149 15.999 > 45 47 O 0.22464027041090 0.25031125543739 0.92960878065149 15.999 > 45 48 O 0.22464027041090 0.75031125543739 0.92960878065149 15.999 > 45 49 O 0.06535628586869 0.24901296522369 0.08273459163165 15.999 > 49 50 O 0.06535628586869 0.74901296522369 0.08273459163165 15.999 > 49 51 O 0.06535628586869 0.24901296522369 0.58273459163165 15.999 > 49 52 O 0.06535628586869 0.74901296522369 0.58273459163165 15.999 > 49 53 O 0.93464371413131 0.49901296522369 0.41726540836835 15.999 > 53 54 O 0.93464371413131 0.99901296522369 0.41726540836835 15.999 > 53 55 O 0.93464371413131 0.49901296522369 0.91726540836835 15.999 > 53 56 O 0.93464371413131 0.99901296522369 0.91726540836835 15.999 > 53 57 O 0.43464371413131 0.25098703477631 0.33273459163165 15.999 > 57 58 O 0.43464371413131 0.75098703477631 0.33273459163165 15.999 > 57 59 O 0.43464371413131 0.25098703477631 0.83273459163165 15.999 > 57 60 O 0.43464371413131 0.75098703477631 0.83273459163165 15.999 > 57 61 O 0.56535628586869 0.00098703477631 0.16726540836835 15.999 > 61 62 O 0.56535628586869 0.50098703477631 0.16726540836835 15.999 > 61 63 O 0.56535628586869 0.00098703477631 0.66726540836835 15.999 > 61 64 O 0.56535628586869 0.50098703477631 0.66726540836835 15.999 > 61 65 O 0.43464371413131 0.49901296522369 0.33273459163165 15.999 > 65 66 O 0.43464371413131 0.99901296522369 0.33273459163165 15.999 > 65 67 O 0.43464371413131 0.49901296522369 0.83273459163165 15.999 > 65 68 O 0.43464371413131 0.99901296522369 0.83273459163165 15.999 > 65 69 O 0.56535628586869 0.24901296522369 0.16726540836835 15.999 > 69 70 O 0.56535628586869 0.74901296522369 0.16726540836835 15.999 > 69 71 O 0.56535628586869 0.24901296522369 0.66726540836835 15.999 > 69 72 O 0.56535628586869 0.74901296522369 0.66726540836835 15.999 > 69 73 O 0.06535628586869 0.00098703477631 0.08273459163165 15.999 > 73 74 O 0.06535628586869 0.50098703477631 0.08273459163165 15.999 > 73 75 O 0.06535628586869 0.00098703477631 0.58273459163165 15.999 > 73 76 O 0.06535628586869 0.50098703477631 0.58273459163165 15.999 > 73 77 O 0.93464371413131 0.25098703477631 0.41726540836835 15.999 > 77 78 O 0.93464371413131 0.75098703477631 0.41726540836835 15.999 > 77 79 O 0.93464371413131 0.25098703477631 0.91726540836835 15.999 > 77 80 O 0.93464371413131 0.75098703477631 0.91726540836835 15.999 > 77 81 Zn 0.15045980465211 0.12500000000000 0.15448066315977 65.380 > 81 82 Zn 0.15045980465211 0.62500000000000 0.15448066315977 65.380 > 81 83 Zn 0.15045980465211 0.12500000000000 0.65448066315977 65.380 > 81 84 Zn 0.15045980465211 0.62500000000000 0.65448066315977 65.380 > 81 85 Zn 0.84954019534789 0.37500000000000 0.34551933684023 65.380 > 85 86 Zn 0.84954019534789 0.87500000000000 0.34551933684023 65.380 > 85 87 Zn 0.84954019534789 0.37500000000000 0.84551933684023 65.380 > 85 88 Zn 0.84954019534789 0.87500000000000 0.84551933684023 65.380 > 85 89 Zn 0.34954019534789 0.37500000000000 0.40448066315977 65.380 > 89 90 Zn 0.34954019534789 0.87500000000000 0.40448066315977 65.380 > 89 91 Zn 0.34954019534789 0.37500000000000 0.90448066315977 65.380 > 89 92 Zn 0.34954019534789 0.87500000000000 0.90448066315977 65.380 > 89 93 Zn 0.65045980465211 0.12500000000000 0.09551933684023 65.380 > 93 94 Zn 0.65045980465211 0.62500000000000 0.09551933684023 65.380 > 93 95 Zn 0.65045980465211 0.12500000000000 0.59551933684023 65.380 > 93 96 Zn 0.65045980465211 0.62500000000000 0.59551933684023 65.380 > 93 97 Y 0.57457985280662 0.12500000000000 0.29991508733126 88.906 > 97 98 Y 0.57457985280662 0.62500000000000 0.29991508733126 88.906 > 97 99 Y 0.57457985280662 0.12500000000000 0.79991508733126 88.906 > 97 100 Y 0.57457985280662 0.62500000000000 0.79991508733126 88.906 > 97 101 Y 0.42542014719338 0.37500000000000 0.20008491266874 88.906 > 101 102 Y 0.42542014719338 0.87500000000000 0.20008491266874 88.906 > 101 103 Y 0.42542014719338 0.37500000000000 0.70008491266874 88.906 > 101 104 Y 0.42542014719338 0.87500000000000 0.70008491266874 88.906 > 101 105 Y 0.92542014719338 0.37500000000000 0.04991508733126 88.906 > 105 106 Y 0.92542014719338 0.87500000000000 0.04991508733126 88.906 > 105 107 Y 0.92542014719338 0.37500000000000 0.54991508733126 88.906 > 105 108 Y 0.92542014719338 0.87500000000000 0.54991508733126 88.906 > 105 109 Y 0.07457985280662 0.12500000000000 0.45008491266874 88.906 > 109 110 Y 0.07457985280662 0.62500000000000 0.45008491266874 88.906 > 109 111 Y 0.07457985280662 0.12500000000000 0.95008491266874 88.906 > 109 112 Y 0.07457985280662 0.62500000000000 0.95008491266874 88.906 > 109 113 Y 0.79222647651182 0.12500000000000 0.44001962900256 88.906 > 113 114 Y 0.79222647651182 0.62500000000000 0.44001962900256 88.906 > 113 115 Y 0.79222647651182 0.12500000000000 0.94001962900256 88.906 > 113 116 Y 0.79222647651182 0.62500000000000 0.94001962900256 88.906 > 113 117 Y 0.20777352348818 0.37500000000000 0.05998037099744 88.906 > 117 118 Y 0.20777352348818 0.87500000000000 0.05998037099744 88.906 > 117 119 Y 0.20777352348818 0.37500000000000 0.55998037099744 88.906 > 117 120 Y 0.20777352348818 0.87500000000000 0.55998037099744 88.906 > 117 121 Y 0.70777352348818 0.37500000000000 0.19001962900256 88.906 > 121 122 Y 0.70777352348818 0.87500000000000 0.19001962900256 88.906 > 121 123 Y 0.70777352348818 0.37500000000000 0.69001962900256 88.906 > 121 124 Y 0.70777352348818 0.87500000000000 0.69001962900256 88.906 > 121 125 Y 0.29222647651182 0.12500000000000 0.30998037099744 88.906 > 125 126 Y 0.29222647651182 0.62500000000000 0.30998037099744 88.906 > 125 127 Y 0.29222647651182 0.12500000000000 0.80998037099744 88.906 > 125 128 Y 0.29222647651182 0.62500000000000 0.80998037099744 88.906 > 125 129 Ba 0.39916556998501 0.12500000000000 0.03858558003235 137.327 > 129 130 Ba 0.39916556998501 0.62500000000000 0.03858558003235 137.327 > 129 131 Ba 0.39916556998501 0.12500000000000 0.53858558003235 137.327 > 129 132 Ba 0.39916556998501 0.62500000000000 0.53858558003235 137.327 > 129 133 Ba 0.60083443001500 0.37500000000000 0.46141441996765 137.327 > 133 134 Ba 0.60083443001500 0.87500000000000 0.46141441996765 137.327 > 133 135 Ba 0.60083443001500 0.37500000000000 0.96141441996765 137.327 > 133 136 Ba 0.60083443001500 0.87500000000000 0.96141441996765 137.327 > 133 137 Ba 0.10083443001499 0.37500000000000 0.28858558003235 137.327 > 137 138 Ba 0.10083443001499 0.87500000000000 0.28858558003235 137.327 > 137 139 Ba 0.10083443001499 0.37500000000000 0.78858558003235 137.327 > 137 140 Ba 0.10083443001499 0.87500000000000 0.78858558003235 137.327 > 137 141 Ba 0.89916556998500 0.12500000000000 0.21141441996765 137.327 > 141 142 Ba 0.89916556998500 0.62500000000000 0.21141441996765 137.327 > 141 143 Ba 0.89916556998500 0.12500000000000 0.71141441996765 137.327 > 141 144 Ba 0.89916556998500 0.62500000000000 0.71141441996765 137.327 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6629709 0.0000000 0.0000000 0.0000000 4.6159773 0.0000000 0.0000000 0.0000000 4.5573398 -------------------------- Born effective charges -------------------------- 1 O -2.5504733 0.0000000 -0.0616416 0.0000000 -2.0636607 0.0000000 -0.0321584 0.0000000 -2.8499876 2 O -2.5504733 0.0000000 -0.0616416 0.0000000 -2.0636607 0.0000000 -0.0321584 0.0000000 -2.8499876 3 O -2.5504733 0.0000000 0.0616416 0.0000000 -2.0636607 0.0000000 0.0321584 0.0000000 -2.8499876 4 O -2.5504733 0.0000000 0.0616416 0.0000000 -2.0636607 0.0000000 0.0321584 0.0000000 -2.8499876 5 O -2.3779660 0.2670176 -0.1571900 0.2678032 -2.6622095 -0.4439663 -0.1711784 -0.4163521 -2.4572951 6 O -2.3779660 -0.2670176 -0.1571900 -0.2678032 -2.6622095 0.4439663 -0.1711784 0.4163521 -2.4572951 7 O -2.3779660 0.2670176 0.1571900 0.2678032 -2.6622095 0.4439663 0.1711784 0.4163521 -2.4572951 8 O -2.3779660 -0.2670176 0.1571900 -0.2678032 -2.6622095 -0.4439663 0.1711784 -0.4163521 -2.4572951 9 O -2.3779660 0.2670176 -0.1571900 0.2678032 -2.6622095 -0.4439663 -0.1711784 -0.4163521 -2.4572951 10 O -2.3779660 -0.2670176 -0.1571900 -0.2678032 -2.6622095 0.4439663 -0.1711784 0.4163521 -2.4572951 11 O -2.3779660 0.2670176 0.1571900 0.2678032 -2.6622095 0.4439663 0.1711784 0.4163521 -2.4572951 12 O -2.3779660 -0.2670176 0.1571900 -0.2678032 -2.6622095 -0.4439663 0.1711784 -0.4163521 -2.4572951 13 O -2.5799796 0.1226327 -0.1676275 0.1683393 -2.5975501 0.0278832 -0.0765566 -0.0074146 -2.1169890 14 O -2.5799796 -0.1226327 -0.1676275 -0.1683393 -2.5975501 -0.0278832 -0.0765566 0.0074146 -2.1169890 15 O -2.5799796 0.1226327 0.1676275 0.1683393 -2.5975501 -0.0278832 0.0765566 0.0074146 -2.1169890 16 O -2.5799796 -0.1226327 0.1676275 -0.1683393 -2.5975501 0.0278832 0.0765566 -0.0074146 -2.1169890 17 O -2.5799796 -0.1226327 0.1676275 -0.1683393 -2.5975501 0.0278832 0.0765566 -0.0074146 -2.1169890 18 O -2.5799796 0.1226327 0.1676275 0.1683393 -2.5975501 -0.0278832 0.0765566 0.0074146 -2.1169890 19 O -2.5799796 -0.1226327 -0.1676275 -0.1683393 -2.5975501 -0.0278832 -0.0765566 0.0074146 -2.1169890 20 O -2.5799796 0.1226327 -0.1676275 0.1683393 -2.5975501 0.0278832 -0.0765566 -0.0074146 -2.1169890 21 Zn 1.9992368 0.0000000 0.3045080 0.0000000 2.3208414 0.0000000 0.2850230 0.0000000 1.8625434 22 Zn 1.9992368 0.0000000 0.3045080 0.0000000 2.3208414 0.0000000 0.2850230 0.0000000 1.8625434 23 Zn 1.9992368 0.0000000 -0.3045080 0.0000000 2.3208414 0.0000000 -0.2850230 0.0000000 1.8625434 24 Zn 1.9992368 0.0000000 -0.3045080 0.0000000 2.3208414 0.0000000 -0.2850230 0.0000000 1.8625434 25 Y 3.9729002 0.0000000 0.0009942 0.0000000 3.6705805 0.0000000 0.1043841 0.0000000 3.7822718 26 Y 3.9729002 0.0000000 0.0009942 0.0000000 3.6705805 0.0000000 0.1043841 0.0000000 3.7822718 27 Y 3.9729002 0.0000000 -0.0009942 0.0000000 3.6705805 0.0000000 -0.1043841 0.0000000 3.7822718 28 Y 3.9729002 0.0000000 -0.0009942 0.0000000 3.6705805 0.0000000 -0.1043841 0.0000000 3.7822718 29 Y 3.6252965 0.0000000 -0.0812048 0.0000000 3.6992993 0.0000000 -0.1064988 0.0000000 3.7567693 30 Y 3.6252965 0.0000000 -0.0812048 0.0000000 3.6992993 0.0000000 -0.1064988 0.0000000 3.7567693 31 Y 3.6252965 0.0000000 0.0812048 0.0000000 3.6992993 0.0000000 0.1064988 0.0000000 3.7567693 32 Y 3.6252965 0.0000000 0.0812048 0.0000000 3.6992993 0.0000000 0.1064988 0.0000000 3.7567693 33 Ba 2.8689311 0.0000000 -0.1349347 0.0000000 2.8924587 0.0000000 -0.0881201 0.0000000 2.5969711 34 Ba 2.8689311 0.0000000 -0.1349347 0.0000000 2.8924587 0.0000000 -0.0881201 0.0000000 2.5969711 35 Ba 2.8689311 0.0000000 0.1349347 0.0000000 2.8924587 0.0000000 0.0881201 0.0000000 2.5969711 36 Ba 2.8689311 0.0000000 0.1349347 0.0000000 2.8924587 0.0000000 0.0881201 0.0000000 2.5969711 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 21:16:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:16:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.271296619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.683178580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.038141410000000 Atomic positions (fractional): 1 O 0.60080741577948 0.25000000000000 0.92410636163854 15.999 2 O 0.39919258422052 0.75000000000000 0.07589363836146 15.999 3 O 0.89919258422052 0.75000000000000 0.42410636163854 15.999 4 O 0.10080741577948 0.25000000000000 0.57589363836146 15.999 5 O 0.27535972958910 0.00062251087479 0.35921756130299 15.999 6 O 0.72464027041090 0.50062251087479 0.64078243869701 15.999 7 O 0.22464027041090 0.99937748912521 0.85921756130299 15.999 8 O 0.77535972958910 0.49937748912521 0.14078243869701 15.999 9 O 0.72464027041090 0.99937748912521 0.64078243869701 15.999 10 O 0.27535972958910 0.49937748912521 0.35921756130299 15.999 11 O 0.77535972958910 0.00062251087479 0.14078243869701 15.999 12 O 0.22464027041090 0.50062251087479 0.85921756130299 15.999 13 O 0.06535628586869 0.49802593044738 0.16546918326330 15.999 14 O 0.93464371413131 0.99802593044738 0.83453081673670 15.999 15 O 0.43464371413131 0.50197406955262 0.66546918326330 15.999 16 O 0.56535628586869 0.00197406955262 0.33453081673670 15.999 17 O 0.43464371413131 0.99802593044738 0.66546918326330 15.999 18 O 0.56535628586869 0.49802593044738 0.33453081673670 15.999 19 O 0.06535628586869 0.00197406955262 0.16546918326330 15.999 20 O 0.93464371413131 0.50197406955262 0.83453081673670 15.999 21 Zn 0.15045980465211 0.25000000000000 0.30896132631953 65.380 22 Zn 0.84954019534789 0.75000000000000 0.69103867368047 65.380 23 Zn 0.34954019534789 0.75000000000000 0.80896132631953 65.380 24 Zn 0.65045980465211 0.25000000000000 0.19103867368047 65.380 25 Y 0.57457985280662 0.25000000000000 0.59983017466252 88.906 26 Y 0.42542014719338 0.75000000000000 0.40016982533748 88.906 27 Y 0.92542014719338 0.75000000000000 0.09983017466252 88.906 28 Y 0.07457985280662 0.25000000000000 0.90016982533748 88.906 29 Y 0.79222647651182 0.25000000000000 0.88003925800512 88.906 30 Y 0.20777352348818 0.75000000000000 0.11996074199488 88.906 31 Y 0.70777352348818 0.75000000000000 0.38003925800512 88.906 32 Y 0.29222647651182 0.25000000000000 0.61996074199488 88.906 33 Ba 0.39916556998501 0.25000000000000 0.07717116006470 137.327 34 Ba 0.60083443001500 0.75000000000000 0.92282883993530 137.327 35 Ba 0.10083443001499 0.75000000000000 0.57717116006470 137.327 36 Ba 0.89916556998500 0.25000000000000 0.42282883993530 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.271296619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.366357160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.076282819999999 Atomic positions (fractional): 1 O 0.60080741577948 0.12500000000000 0.46205318081927 15.999 > 1 2 O 0.60080741577948 0.62500000000000 0.46205318081927 15.999 > 1 3 O 0.60080741577948 0.12500000000000 0.96205318081927 15.999 > 1 4 O 0.60080741577948 0.62500000000000 0.96205318081927 15.999 > 1 5 O 0.39919258422052 0.37500000000000 0.03794681918073 15.999 > 5 6 O 0.39919258422052 0.87500000000000 0.03794681918073 15.999 > 5 7 O 0.39919258422052 0.37500000000000 0.53794681918073 15.999 > 5 8 O 0.39919258422052 0.87500000000000 0.53794681918073 15.999 > 5 9 O 0.89919258422052 0.37500000000000 0.21205318081927 15.999 > 9 10 O 0.89919258422052 0.87500000000000 0.21205318081927 15.999 > 9 11 O 0.89919258422052 0.37500000000000 0.71205318081927 15.999 > 9 12 O 0.89919258422052 0.87500000000000 0.71205318081927 15.999 > 9 13 O 0.10080741577948 0.12500000000000 0.28794681918073 15.999 > 13 14 O 0.10080741577948 0.62500000000000 0.28794681918073 15.999 > 13 15 O 0.10080741577948 0.12500000000000 0.78794681918073 15.999 > 13 16 O 0.10080741577948 0.62500000000000 0.78794681918073 15.999 > 13 17 O 0.27535972958910 0.00031125543739 0.17960878065149 15.999 > 17 18 O 0.27535972958910 0.50031125543739 0.17960878065149 15.999 > 17 19 O 0.27535972958910 0.00031125543739 0.67960878065149 15.999 > 17 20 O 0.27535972958910 0.50031125543739 0.67960878065149 15.999 > 17 21 O 0.72464027041090 0.25031125543739 0.32039121934851 15.999 > 21 22 O 0.72464027041090 0.75031125543739 0.32039121934851 15.999 > 21 23 O 0.72464027041090 0.25031125543739 0.82039121934851 15.999 > 21 24 O 0.72464027041090 0.75031125543739 0.82039121934851 15.999 > 21 25 O 0.22464027041090 0.49968874456261 0.42960878065149 15.999 > 25 26 O 0.22464027041090 0.99968874456261 0.42960878065149 15.999 > 25 27 O 0.22464027041090 0.49968874456261 0.92960878065149 15.999 > 25 28 O 0.22464027041090 0.99968874456261 0.92960878065149 15.999 > 25 29 O 0.77535972958910 0.24968874456261 0.07039121934851 15.999 > 29 30 O 0.77535972958910 0.74968874456261 0.07039121934851 15.999 > 29 31 O 0.77535972958910 0.24968874456261 0.57039121934851 15.999 > 29 32 O 0.77535972958910 0.74968874456261 0.57039121934851 15.999 > 29 33 O 0.72464027041090 0.49968874456261 0.32039121934851 15.999 > 33 34 O 0.72464027041090 0.99968874456261 0.32039121934851 15.999 > 33 35 O 0.72464027041090 0.49968874456261 0.82039121934851 15.999 > 33 36 O 0.72464027041090 0.99968874456261 0.82039121934851 15.999 > 33 37 O 0.27535972958910 0.24968874456261 0.17960878065149 15.999 > 37 38 O 0.27535972958910 0.74968874456261 0.17960878065149 15.999 > 37 39 O 0.27535972958910 0.24968874456261 0.67960878065149 15.999 > 37 40 O 0.27535972958910 0.74968874456261 0.67960878065149 15.999 > 37 41 O 0.77535972958910 0.00031125543739 0.07039121934851 15.999 > 41 42 O 0.77535972958910 0.50031125543739 0.07039121934851 15.999 > 41 43 O 0.77535972958910 0.00031125543739 0.57039121934851 15.999 > 41 44 O 0.77535972958910 0.50031125543739 0.57039121934851 15.999 > 41 45 O 0.22464027041090 0.25031125543739 0.42960878065149 15.999 > 45 46 O 0.22464027041090 0.75031125543739 0.42960878065149 15.999 > 45 47 O 0.22464027041090 0.25031125543739 0.92960878065149 15.999 > 45 48 O 0.22464027041090 0.75031125543739 0.92960878065149 15.999 > 45 49 O 0.06535628586869 0.24901296522369 0.08273459163165 15.999 > 49 50 O 0.06535628586869 0.74901296522369 0.08273459163165 15.999 > 49 51 O 0.06535628586869 0.24901296522369 0.58273459163165 15.999 > 49 52 O 0.06535628586869 0.74901296522369 0.58273459163165 15.999 > 49 53 O 0.93464371413131 0.49901296522369 0.41726540836835 15.999 > 53 54 O 0.93464371413131 0.99901296522369 0.41726540836835 15.999 > 53 55 O 0.93464371413131 0.49901296522369 0.91726540836835 15.999 > 53 56 O 0.93464371413131 0.99901296522369 0.91726540836835 15.999 > 53 57 O 0.43464371413131 0.25098703477631 0.33273459163165 15.999 > 57 58 O 0.43464371413131 0.75098703477631 0.33273459163165 15.999 > 57 59 O 0.43464371413131 0.25098703477631 0.83273459163165 15.999 > 57 60 O 0.43464371413131 0.75098703477631 0.83273459163165 15.999 > 57 61 O 0.56535628586869 0.00098703477631 0.16726540836835 15.999 > 61 62 O 0.56535628586869 0.50098703477631 0.16726540836835 15.999 > 61 63 O 0.56535628586869 0.00098703477631 0.66726540836835 15.999 > 61 64 O 0.56535628586869 0.50098703477631 0.66726540836835 15.999 > 61 65 O 0.43464371413131 0.49901296522369 0.33273459163165 15.999 > 65 66 O 0.43464371413131 0.99901296522369 0.33273459163165 15.999 > 65 67 O 0.43464371413131 0.49901296522369 0.83273459163165 15.999 > 65 68 O 0.43464371413131 0.99901296522369 0.83273459163165 15.999 > 65 69 O 0.56535628586869 0.24901296522369 0.16726540836835 15.999 > 69 70 O 0.56535628586869 0.74901296522369 0.16726540836835 15.999 > 69 71 O 0.56535628586869 0.24901296522369 0.66726540836835 15.999 > 69 72 O 0.56535628586869 0.74901296522369 0.66726540836835 15.999 > 69 73 O 0.06535628586869 0.00098703477631 0.08273459163165 15.999 > 73 74 O 0.06535628586869 0.50098703477631 0.08273459163165 15.999 > 73 75 O 0.06535628586869 0.00098703477631 0.58273459163165 15.999 > 73 76 O 0.06535628586869 0.50098703477631 0.58273459163165 15.999 > 73 77 O 0.93464371413131 0.25098703477631 0.41726540836835 15.999 > 77 78 O 0.93464371413131 0.75098703477631 0.41726540836835 15.999 > 77 79 O 0.93464371413131 0.25098703477631 0.91726540836835 15.999 > 77 80 O 0.93464371413131 0.75098703477631 0.91726540836835 15.999 > 77 81 Zn 0.15045980465211 0.12500000000000 0.15448066315977 65.380 > 81 82 Zn 0.15045980465211 0.62500000000000 0.15448066315977 65.380 > 81 83 Zn 0.15045980465211 0.12500000000000 0.65448066315977 65.380 > 81 84 Zn 0.15045980465211 0.62500000000000 0.65448066315977 65.380 > 81 85 Zn 0.84954019534789 0.37500000000000 0.34551933684023 65.380 > 85 86 Zn 0.84954019534789 0.87500000000000 0.34551933684023 65.380 > 85 87 Zn 0.84954019534789 0.37500000000000 0.84551933684023 65.380 > 85 88 Zn 0.84954019534789 0.87500000000000 0.84551933684023 65.380 > 85 89 Zn 0.34954019534789 0.37500000000000 0.40448066315977 65.380 > 89 90 Zn 0.34954019534789 0.87500000000000 0.40448066315977 65.380 > 89 91 Zn 0.34954019534789 0.37500000000000 0.90448066315977 65.380 > 89 92 Zn 0.34954019534789 0.87500000000000 0.90448066315977 65.380 > 89 93 Zn 0.65045980465211 0.12500000000000 0.09551933684023 65.380 > 93 94 Zn 0.65045980465211 0.62500000000000 0.09551933684023 65.380 > 93 95 Zn 0.65045980465211 0.12500000000000 0.59551933684023 65.380 > 93 96 Zn 0.65045980465211 0.62500000000000 0.59551933684023 65.380 > 93 97 Y 0.57457985280662 0.12500000000000 0.29991508733126 88.906 > 97 98 Y 0.57457985280662 0.62500000000000 0.29991508733126 88.906 > 97 99 Y 0.57457985280662 0.12500000000000 0.79991508733126 88.906 > 97 100 Y 0.57457985280662 0.62500000000000 0.79991508733126 88.906 > 97 101 Y 0.42542014719338 0.37500000000000 0.20008491266874 88.906 > 101 102 Y 0.42542014719338 0.87500000000000 0.20008491266874 88.906 > 101 103 Y 0.42542014719338 0.37500000000000 0.70008491266874 88.906 > 101 104 Y 0.42542014719338 0.87500000000000 0.70008491266874 88.906 > 101 105 Y 0.92542014719338 0.37500000000000 0.04991508733126 88.906 > 105 106 Y 0.92542014719338 0.87500000000000 0.04991508733126 88.906 > 105 107 Y 0.92542014719338 0.37500000000000 0.54991508733126 88.906 > 105 108 Y 0.92542014719338 0.87500000000000 0.54991508733126 88.906 > 105 109 Y 0.07457985280662 0.12500000000000 0.45008491266874 88.906 > 109 110 Y 0.07457985280662 0.62500000000000 0.45008491266874 88.906 > 109 111 Y 0.07457985280662 0.12500000000000 0.95008491266874 88.906 > 109 112 Y 0.07457985280662 0.62500000000000 0.95008491266874 88.906 > 109 113 Y 0.79222647651182 0.12500000000000 0.44001962900256 88.906 > 113 114 Y 0.79222647651182 0.62500000000000 0.44001962900256 88.906 > 113 115 Y 0.79222647651182 0.12500000000000 0.94001962900256 88.906 > 113 116 Y 0.79222647651182 0.62500000000000 0.94001962900256 88.906 > 113 117 Y 0.20777352348818 0.37500000000000 0.05998037099744 88.906 > 117 118 Y 0.20777352348818 0.87500000000000 0.05998037099744 88.906 > 117 119 Y 0.20777352348818 0.37500000000000 0.55998037099744 88.906 > 117 120 Y 0.20777352348818 0.87500000000000 0.55998037099744 88.906 > 117 121 Y 0.70777352348818 0.37500000000000 0.19001962900256 88.906 > 121 122 Y 0.70777352348818 0.87500000000000 0.19001962900256 88.906 > 121 123 Y 0.70777352348818 0.37500000000000 0.69001962900256 88.906 > 121 124 Y 0.70777352348818 0.87500000000000 0.69001962900256 88.906 > 121 125 Y 0.29222647651182 0.12500000000000 0.30998037099744 88.906 > 125 126 Y 0.29222647651182 0.62500000000000 0.30998037099744 88.906 > 125 127 Y 0.29222647651182 0.12500000000000 0.80998037099744 88.906 > 125 128 Y 0.29222647651182 0.62500000000000 0.80998037099744 88.906 > 125 129 Ba 0.39916556998501 0.12500000000000 0.03858558003235 137.327 > 129 130 Ba 0.39916556998501 0.62500000000000 0.03858558003235 137.327 > 129 131 Ba 0.39916556998501 0.12500000000000 0.53858558003235 137.327 > 129 132 Ba 0.39916556998501 0.62500000000000 0.53858558003235 137.327 > 129 133 Ba 0.60083443001500 0.37500000000000 0.46141441996765 137.327 > 133 134 Ba 0.60083443001500 0.87500000000000 0.46141441996765 137.327 > 133 135 Ba 0.60083443001500 0.37500000000000 0.96141441996765 137.327 > 133 136 Ba 0.60083443001500 0.87500000000000 0.96141441996765 137.327 > 133 137 Ba 0.10083443001499 0.37500000000000 0.28858558003235 137.327 > 137 138 Ba 0.10083443001499 0.87500000000000 0.28858558003235 137.327 > 137 139 Ba 0.10083443001499 0.37500000000000 0.78858558003235 137.327 > 137 140 Ba 0.10083443001499 0.87500000000000 0.78858558003235 137.327 > 137 141 Ba 0.89916556998500 0.12500000000000 0.21141441996765 137.327 > 141 142 Ba 0.89916556998500 0.62500000000000 0.21141441996765 137.327 > 141 143 Ba 0.89916556998500 0.12500000000000 0.71141441996765 137.327 > 141 144 Ba 0.89916556998500 0.62500000000000 0.71141441996765 137.327 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6629709 0.0000000 0.0000000 0.0000000 4.6159773 0.0000000 0.0000000 0.0000000 4.5573398 -------------------------- Born effective charges -------------------------- 1 O -2.5504733 0.0000000 -0.0616416 0.0000000 -2.0636607 0.0000000 -0.0321584 0.0000000 -2.8499876 2 O -2.5504733 0.0000000 -0.0616416 0.0000000 -2.0636607 0.0000000 -0.0321584 0.0000000 -2.8499876 3 O -2.5504733 0.0000000 0.0616416 0.0000000 -2.0636607 0.0000000 0.0321584 0.0000000 -2.8499876 4 O -2.5504733 0.0000000 0.0616416 0.0000000 -2.0636607 0.0000000 0.0321584 0.0000000 -2.8499876 5 O -2.3779660 0.2670176 -0.1571900 0.2678032 -2.6622095 -0.4439663 -0.1711784 -0.4163521 -2.4572951 6 O -2.3779660 -0.2670176 -0.1571900 -0.2678032 -2.6622095 0.4439663 -0.1711784 0.4163521 -2.4572951 7 O -2.3779660 0.2670176 0.1571900 0.2678032 -2.6622095 0.4439663 0.1711784 0.4163521 -2.4572951 8 O -2.3779660 -0.2670176 0.1571900 -0.2678032 -2.6622095 -0.4439663 0.1711784 -0.4163521 -2.4572951 9 O -2.3779660 0.2670176 -0.1571900 0.2678032 -2.6622095 -0.4439663 -0.1711784 -0.4163521 -2.4572951 10 O -2.3779660 -0.2670176 -0.1571900 -0.2678032 -2.6622095 0.4439663 -0.1711784 0.4163521 -2.4572951 11 O -2.3779660 0.2670176 0.1571900 0.2678032 -2.6622095 0.4439663 0.1711784 0.4163521 -2.4572951 12 O -2.3779660 -0.2670176 0.1571900 -0.2678032 -2.6622095 -0.4439663 0.1711784 -0.4163521 -2.4572951 13 O -2.5799796 0.1226327 -0.1676275 0.1683393 -2.5975501 0.0278832 -0.0765566 -0.0074146 -2.1169890 14 O -2.5799796 -0.1226327 -0.1676275 -0.1683393 -2.5975501 -0.0278832 -0.0765566 0.0074146 -2.1169890 15 O -2.5799796 0.1226327 0.1676275 0.1683393 -2.5975501 -0.0278832 0.0765566 0.0074146 -2.1169890 16 O -2.5799796 -0.1226327 0.1676275 -0.1683393 -2.5975501 0.0278832 0.0765566 -0.0074146 -2.1169890 17 O -2.5799796 -0.1226327 0.1676275 -0.1683393 -2.5975501 0.0278832 0.0765566 -0.0074146 -2.1169890 18 O -2.5799796 0.1226327 0.1676275 0.1683393 -2.5975501 -0.0278832 0.0765566 0.0074146 -2.1169890 19 O -2.5799796 -0.1226327 -0.1676275 -0.1683393 -2.5975501 -0.0278832 -0.0765566 0.0074146 -2.1169890 20 O -2.5799796 0.1226327 -0.1676275 0.1683393 -2.5975501 0.0278832 -0.0765566 -0.0074146 -2.1169890 21 Zn 1.9992368 0.0000000 0.3045080 0.0000000 2.3208414 0.0000000 0.2850230 0.0000000 1.8625434 22 Zn 1.9992368 0.0000000 0.3045080 0.0000000 2.3208414 0.0000000 0.2850230 0.0000000 1.8625434 23 Zn 1.9992368 0.0000000 -0.3045080 0.0000000 2.3208414 0.0000000 -0.2850230 0.0000000 1.8625434 24 Zn 1.9992368 0.0000000 -0.3045080 0.0000000 2.3208414 0.0000000 -0.2850230 0.0000000 1.8625434 25 Y 3.9729002 0.0000000 0.0009942 0.0000000 3.6705805 0.0000000 0.1043841 0.0000000 3.7822718 26 Y 3.9729002 0.0000000 0.0009942 0.0000000 3.6705805 0.0000000 0.1043841 0.0000000 3.7822718 27 Y 3.9729002 0.0000000 -0.0009942 0.0000000 3.6705805 0.0000000 -0.1043841 0.0000000 3.7822718 28 Y 3.9729002 0.0000000 -0.0009942 0.0000000 3.6705805 0.0000000 -0.1043841 0.0000000 3.7822718 29 Y 3.6252965 0.0000000 -0.0812048 0.0000000 3.6992993 0.0000000 -0.1064988 0.0000000 3.7567693 30 Y 3.6252965 0.0000000 -0.0812048 0.0000000 3.6992993 0.0000000 -0.1064988 0.0000000 3.7567693 31 Y 3.6252965 0.0000000 0.0812048 0.0000000 3.6992993 0.0000000 0.1064988 0.0000000 3.7567693 32 Y 3.6252965 0.0000000 0.0812048 0.0000000 3.6992993 0.0000000 0.1064988 0.0000000 3.7567693 33 Ba 2.8689311 0.0000000 -0.1349347 0.0000000 2.8924587 0.0000000 -0.0881201 0.0000000 2.5969711 34 Ba 2.8689311 0.0000000 -0.1349347 0.0000000 2.8924587 0.0000000 -0.0881201 0.0000000 2.5969711 35 Ba 2.8689311 0.0000000 0.1349347 0.0000000 2.8924587 0.0000000 0.0881201 0.0000000 2.5969711 36 Ba 2.8689311 0.0000000 0.1349347 0.0000000 2.8924587 0.0000000 0.0881201 0.0000000 2.5969711 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) 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 ... [ 4 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.484 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 7.935 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.137 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.316 ( 0.000 0.000 0.000) 0.000 8.364 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 8.612 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 9.030 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.089 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.779 ( 0.000 0.000 0.000) 0.000 10.055 ( 0.000 0.000 0.000) 0.000 10.228 ( 0.000 0.000 0.000) 0.000 10.255 ( 0.000 0.000 0.000) 0.000 10.280 ( 0.000 0.000 0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 10.358 ( 0.000 0.000 0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 11.065 ( 0.000 0.000 0.000) 0.000 11.169 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 11.728 ( 0.000 0.000 0.000) 0.000 12.070 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.738 ( 0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 13.309 ( 0.000 0.000 0.000) 0.000 13.362 ( 0.000 0.000 0.000) 0.000 13.411 ( 0.000 0.000 0.000) 0.000 13.659 ( 0.000 0.000 0.000) 0.000 13.690 ( 0.000 0.000 0.000) 0.000 14.034 ( 0.000 0.000 0.000) 0.000 14.239 ( 0.000 0.000 0.000) 0.000 14.747 ( 0.000 0.000 0.000) 0.000 14.871 ( 0.000 0.000 0.000) 0.000 15.374 ( 0.000 0.000 0.000) 0.000 15.810 ( 0.000 0.000 0.000) 0.000 16.122 ( 0.000 0.000 0.000) 0.000 16.343 ( 0.000 0.000 0.000) 0.000 16.764 ( 0.000 0.000 0.000) 0.000 17.131 ( 0.000 0.000 0.000) 0.000 17.404 ( 0.000 0.000 0.000) 0.000 17.426 ( 0.000 0.000 0.000) 0.000 17.634 ( 0.000 0.000 0.000) 0.000 17.781 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 24.910 0.000 0.000) 24.910 0.744 ( 34.794 0.000 0.000) 34.794 1.238 ( 57.652 0.000 0.000) 57.652 1.464 ( -21.297 0.000 0.000) 21.297 1.804 ( -12.064 0.000 0.000) 12.064 2.273 ( 0.209 0.000 0.000) 0.209 2.277 ( -0.734 0.000 0.000) 0.734 2.357 ( 17.051 0.000 0.000) 17.051 2.800 ( 4.289 0.000 0.000) 4.289 2.803 ( -10.121 0.000 0.000) 10.121 2.809 ( 5.166 0.000 0.000) 5.166 2.846 ( -8.709 0.000 0.000) 8.709 3.030 ( 2.566 0.000 0.000) 2.566 3.095 ( -2.227 0.000 0.000) 2.227 3.123 ( 7.434 0.000 0.000) 7.434 3.176 ( -7.338 0.000 0.000) 7.338 3.320 ( 6.286 0.000 0.000) 6.286 3.358 ( -11.506 0.000 0.000) 11.506 3.520 ( -2.454 0.000 0.000) 2.454 3.559 ( -3.512 0.000 0.000) 3.512 3.580 ( -8.048 0.000 0.000) 8.048 3.925 ( 6.928 0.000 0.000) 6.928 4.050 ( -36.623 0.000 0.000) 36.623 4.151 ( 11.734 0.000 0.000) 11.734 4.152 ( -3.956 0.000 0.000) 3.956 4.466 ( 7.299 0.000 0.000) 7.299 4.517 ( -9.076 0.000 0.000) 9.076 4.824 ( -8.080 0.000 0.000) 8.080 4.980 ( -2.474 0.000 0.000) 2.474 5.038 ( -3.573 0.000 0.000) 3.573 5.096 ( 1.082 0.000 0.000) 1.082 5.144 ( 1.135 0.000 0.000) 1.135 5.180 ( -2.453 0.000 0.000) 2.453 5.194 ( -1.612 0.000 0.000) 1.612 5.308 ( 9.191 0.000 0.000) 9.191 5.536 ( 12.837 0.000 0.000) 12.837 5.566 ( 0.893 0.000 0.000) 0.893 5.717 ( 1.708 0.000 0.000) 1.708 5.802 ( 2.625 0.000 0.000) 2.625 5.998 ( -4.991 0.000 0.000) 4.991 6.001 ( -10.219 0.000 0.000) 10.219 6.012 ( -5.019 0.000 0.000) 5.019 6.138 ( 34.870 0.000 0.000) 34.870 6.238 ( -5.425 0.000 0.000) 5.425 6.333 ( -3.054 0.000 0.000) 3.054 6.612 ( 8.524 0.000 0.000) 8.524 6.617 ( 9.899 0.000 0.000) 9.899 6.733 ( 15.610 0.000 0.000) 15.610 6.810 ( -0.284 0.000 0.000) 0.284 6.831 ( 8.567 0.000 0.000) 8.567 6.993 ( -4.625 0.000 0.000) 4.625 7.666 ( -24.778 0.000 0.000) 24.778 7.699 ( -0.270 0.000 0.000) 0.270 7.893 ( -7.306 0.000 0.000) 7.306 7.917 ( 1.764 0.000 0.000) 1.764 7.964 ( -14.258 0.000 0.000) 14.258 7.980 ( -6.468 0.000 0.000) 6.468 8.025 ( -8.922 0.000 0.000) 8.922 8.147 ( -2.712 0.000 0.000) 2.712 8.396 ( -5.153 0.000 0.000) 5.153 8.522 ( 8.157 0.000 0.000) 8.157 8.575 ( 7.143 0.000 0.000) 7.143 8.627 ( -0.820 0.000 0.000) 0.820 8.722 ( 13.603 0.000 0.000) 13.603 8.792 ( 10.463 0.000 0.000) 10.463 8.938 ( -4.393 0.000 0.000) 4.393 9.104 ( 4.579 0.000 0.000) 4.579 9.131 ( 4.370 0.000 0.000) 4.370 9.256 ( 7.635 0.000 0.000) 7.635 9.453 ( -6.026 0.000 0.000) 6.026 9.878 ( -8.913 0.000 0.000) 8.913 9.971 ( -9.334 0.000 0.000) 9.334 9.995 ( -13.643 0.000 0.000) 13.643 10.217 ( -10.595 0.000 0.000) 10.595 10.460 ( 11.649 0.000 0.000) 11.649 10.553 ( 8.661 0.000 0.000) 8.661 10.618 ( 10.038 0.000 0.000) 10.038 10.760 ( 19.852 0.000 0.000) 19.852 11.077 ( 1.145 0.000 0.000) 1.145 11.150 ( -1.671 0.000 0.000) 1.671 11.200 ( -12.148 0.000 0.000) 12.148 11.248 ( 0.475 0.000 0.000) 0.475 11.299 ( -1.358 0.000 0.000) 1.358 11.573 ( -13.795 0.000 0.000) 13.795 12.186 ( 8.984 0.000 0.000) 8.984 12.431 ( -0.747 0.000 0.000) 0.747 12.727 ( -0.825 0.000 0.000) 0.825 12.753 ( -2.461 0.000 0.000) 2.461 13.322 ( 1.142 0.000 0.000) 1.142 13.346 ( -0.548 0.000 0.000) 0.548 13.425 ( 0.855 0.000 0.000) 0.855 13.570 ( -6.388 0.000 0.000) 6.388 13.758 ( 5.906 0.000 0.000) 5.906 13.996 ( -3.674 0.000 0.000) 3.674 14.201 ( 10.938 0.000 0.000) 10.938 14.649 ( -8.170 0.000 0.000) 8.170 14.941 ( 5.669 0.000 0.000) 5.669 15.269 ( -8.513 0.000 0.000) 8.513 15.829 ( 1.678 0.000 0.000) 1.678 15.901 ( -1.021 0.000 0.000) 1.021 16.265 ( 11.257 0.000 0.000) 11.257 16.713 ( -5.442 0.000 0.000) 5.442 16.844 ( 0.332 0.000 0.000) 0.332 16.990 ( -8.969 0.000 0.000) 8.969 17.478 ( 4.650 0.000 0.000) 4.650 17.527 ( 8.061 0.000 0.000) 8.061 17.677 ( -3.283 0.000 0.000) 3.283 17.755 ( -2.628 0.000 0.000) 2.628 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -23.266 0.000 0.000) 23.266 1.009 ( 23.266 0.000 0.000) 23.266 1.379 ( -26.391 0.000 0.000) 26.391 1.379 ( 26.391 0.000 0.000) 26.391 2.211 ( -15.470 0.000 0.000) 15.470 2.211 ( 15.470 0.000 0.000) 15.470 2.382 ( -25.366 0.000 0.000) 25.366 2.382 ( 25.366 0.000 0.000) 25.366 2.647 ( -11.326 0.000 0.000) 11.326 2.647 ( 11.326 0.000 0.000) 11.326 2.947 ( -10.168 0.000 0.000) 10.168 2.947 ( 10.168 0.000 0.000) 10.168 2.966 ( -9.090 0.000 0.000) 9.090 2.966 ( 9.090 0.000 0.000) 9.090 3.155 ( -7.510 0.000 0.000) 7.510 3.155 ( 7.510 0.000 0.000) 7.510 3.385 ( -21.123 0.000 0.000) 21.123 3.385 ( 21.123 0.000 0.000) 21.123 3.456 ( -6.274 0.000 0.000) 6.274 3.456 ( 6.274 0.000 0.000) 6.274 3.489 ( -0.546 0.000 0.000) 0.546 3.489 ( 0.546 0.000 0.000) 0.546 4.052 ( -5.602 0.000 0.000) 5.602 4.052 ( 5.602 0.000 0.000) 5.602 4.371 ( -9.019 0.000 0.000) 9.019 4.371 ( 9.019 0.000 0.000) 9.019 4.644 ( -9.172 0.000 0.000) 9.172 4.644 ( 9.172 0.000 0.000) 9.172 4.974 ( -1.984 0.000 0.000) 1.984 4.974 ( 1.984 0.000 0.000) 1.984 5.131 ( -2.168 0.000 0.000) 2.168 5.131 ( 2.168 0.000 0.000) 2.168 5.167 ( -1.243 0.000 0.000) 1.243 5.167 ( 1.243 0.000 0.000) 1.243 5.493 ( -7.468 0.000 0.000) 7.468 5.493 ( 7.468 0.000 0.000) 7.468 5.778 ( -11.189 0.000 0.000) 11.189 5.778 ( 11.189 0.000 0.000) 11.189 5.833 ( -8.631 0.000 0.000) 8.631 5.833 ( 8.631 0.000 0.000) 8.631 5.893 ( -6.054 0.000 0.000) 6.054 5.893 ( 6.054 0.000 0.000) 6.054 6.252 ( -4.110 0.000 0.000) 4.110 6.252 ( 4.110 0.000 0.000) 4.110 6.700 ( -10.815 0.000 0.000) 10.815 6.700 ( 10.815 0.000 0.000) 10.815 6.803 ( -5.848 0.000 0.000) 5.848 6.803 ( 5.848 0.000 0.000) 5.848 6.834 ( -8.093 0.000 0.000) 8.093 6.834 ( 8.093 0.000 0.000) 8.093 7.151 ( -23.954 0.000 0.000) 23.954 7.151 ( 23.954 0.000 0.000) 23.954 7.723 ( -4.494 0.000 0.000) 4.494 7.723 ( 4.494 0.000 0.000) 4.494 7.861 ( -4.426 0.000 0.000) 4.426 7.861 ( 4.426 0.000 0.000) 4.426 7.937 ( -0.704 0.000 0.000) 0.704 7.937 ( 0.704 0.000 0.000) 0.704 8.215 ( -8.345 0.000 0.000) 8.345 8.215 ( 8.345 0.000 0.000) 8.345 8.653 ( -0.161 0.000 0.000) 0.161 8.653 ( 0.161 0.000 0.000) 0.161 8.705 ( -9.669 0.000 0.000) 9.669 8.705 ( 9.669 0.000 0.000) 9.669 8.926 ( -4.771 0.000 0.000) 4.771 8.926 ( 4.771 0.000 0.000) 4.771 9.258 ( -6.339 0.000 0.000) 6.339 9.258 ( 6.339 0.000 0.000) 6.339 9.281 ( -10.532 0.000 0.000) 10.532 9.281 ( 10.532 0.000 0.000) 10.532 9.807 ( -3.185 0.000 0.000) 3.185 9.807 ( 3.185 0.000 0.000) 3.185 9.988 ( -9.567 0.000 0.000) 9.567 9.988 ( 9.567 0.000 0.000) 9.567 10.618 ( -2.716 0.000 0.000) 2.716 10.618 ( 2.716 0.000 0.000) 2.716 10.861 ( -12.385 0.000 0.000) 12.385 10.861 ( 12.385 0.000 0.000) 12.385 11.110 ( -2.005 0.000 0.000) 2.005 11.110 ( 2.005 0.000 0.000) 2.005 11.230 ( -18.039 0.000 0.000) 18.039 11.230 ( 18.039 0.000 0.000) 18.039 11.266 ( -1.441 0.000 0.000) 1.441 11.266 ( 1.441 0.000 0.000) 1.441 12.357 ( -6.622 0.000 0.000) 6.622 12.357 ( 6.622 0.000 0.000) 6.622 12.719 ( -0.506 0.000 0.000) 0.506 12.719 ( 0.506 0.000 0.000) 0.506 13.343 ( -0.468 0.000 0.000) 0.468 13.343 ( 0.468 0.000 0.000) 0.468 13.461 ( -3.517 0.000 0.000) 3.517 13.461 ( 3.517 0.000 0.000) 3.517 13.891 ( -6.359 0.000 0.000) 6.359 13.891 ( 6.359 0.000 0.000) 6.359 14.441 ( -11.707 0.000 0.000) 11.707 14.441 ( 11.707 0.000 0.000) 11.707 15.087 ( -8.505 0.000 0.000) 8.505 15.087 ( 8.505 0.000 0.000) 8.505 15.869 ( -1.970 0.000 0.000) 1.970 15.869 ( 1.970 0.000 0.000) 1.970 16.522 ( -12.490 0.000 0.000) 12.490 16.522 ( 12.490 0.000 0.000) 12.490 16.870 ( -2.790 0.000 0.000) 2.790 16.870 ( 2.790 0.000 0.000) 2.790 17.586 ( -5.338 0.000 0.000) 5.338 17.586 ( 5.338 0.000 0.000) 5.338 17.671 ( -5.686 0.000 0.000) 5.686 17.671 ( 5.686 0.000 0.000) 5.686 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 25.433 0.000) 25.433 0.579 ( 0.000 29.400 0.000) 29.400 1.345 ( 0.000 66.058 0.000) 66.058 1.938 ( 0.000 1.305 0.000) 1.305 2.087 ( 0.000 21.763 0.000) 21.763 2.193 ( 0.000 5.296 0.000) 5.296 2.254 ( 0.000 -0.176 0.000) 0.176 2.318 ( 0.000 6.344 0.000) 6.344 2.727 ( 0.000 -3.159 0.000) 3.159 2.790 ( 0.000 -7.835 0.000) 7.835 2.861 ( 0.000 -1.740 0.000) 1.740 2.885 ( 0.000 13.966 0.000) 13.966 2.998 ( 0.000 1.846 0.000) 1.846 3.015 ( 0.000 2.375 0.000) 2.375 3.197 ( 0.000 -3.954 0.000) 3.954 3.446 ( 0.000 16.111 0.000) 16.111 3.447 ( 0.000 2.407 0.000) 2.407 3.535 ( 0.000 2.827 0.000) 2.827 3.721 ( 0.000 10.110 0.000) 10.110 3.848 ( 0.000 4.821 0.000) 4.821 3.875 ( 0.000 24.832 0.000) 24.832 3.942 ( 0.000 14.497 0.000) 14.497 4.143 ( 0.000 19.399 0.000) 19.399 4.330 ( 0.000 14.702 0.000) 14.702 4.356 ( 0.000 -0.620 0.000) 0.620 4.366 ( 0.000 1.062 0.000) 1.062 4.600 ( 0.000 -20.161 0.000) 20.161 4.905 ( 0.000 -3.463 0.000) 3.463 4.990 ( 0.000 -9.482 0.000) 9.482 4.991 ( 0.000 -0.676 0.000) 0.676 4.994 ( 0.000 -2.162 0.000) 2.162 5.112 ( 0.000 -0.450 0.000) 0.450 5.195 ( 0.000 -1.768 0.000) 1.768 5.226 ( 0.000 -1.914 0.000) 1.914 5.254 ( 0.000 -0.753 0.000) 0.753 5.450 ( 0.000 17.046 0.000) 17.046 5.518 ( 0.000 -1.816 0.000) 1.816 5.574 ( 0.000 -0.453 0.000) 0.453 5.627 ( 0.000 -4.776 0.000) 4.776 5.862 ( 0.000 6.082 0.000) 6.082 6.162 ( 0.000 2.155 0.000) 2.155 6.165 ( 0.000 7.771 0.000) 7.771 6.342 ( 0.000 -0.533 0.000) 0.533 6.358 ( 0.000 24.567 0.000) 24.567 6.417 ( 0.000 9.071 0.000) 9.071 6.521 ( 0.000 3.798 0.000) 3.798 6.652 ( 0.000 -3.441 0.000) 3.441 6.674 ( 0.000 12.254 0.000) 12.254 6.775 ( 0.000 -0.116 0.000) 0.116 6.898 ( 0.000 15.584 0.000) 15.584 7.268 ( 0.000 18.856 0.000) 18.856 7.732 ( 0.000 2.912 0.000) 2.912 7.855 ( 0.000 -3.517 0.000) 3.517 7.917 ( 0.000 -1.568 0.000) 1.568 8.064 ( 0.000 -7.902 0.000) 7.902 8.077 ( 0.000 -5.875 0.000) 5.875 8.149 ( 0.000 2.988 0.000) 2.988 8.182 ( 0.000 -4.336 0.000) 4.336 8.374 ( 0.000 1.359 0.000) 1.359 8.425 ( 0.000 -2.391 0.000) 2.391 8.446 ( 0.000 10.768 0.000) 10.768 8.589 ( 0.000 4.532 0.000) 4.532 8.617 ( 0.000 0.689 0.000) 0.689 8.711 ( 0.000 -0.179 0.000) 0.179 8.723 ( 0.000 16.894 0.000) 16.894 8.999 ( 0.000 -1.963 0.000) 1.963 9.212 ( 0.000 17.504 0.000) 17.504 9.242 ( 0.000 12.381 0.000) 12.381 9.382 ( 0.000 6.140 0.000) 6.140 9.457 ( 0.000 -6.023 0.000) 6.023 9.793 ( 0.000 2.330 0.000) 2.330 10.139 ( 0.000 -5.337 0.000) 5.337 10.148 ( 0.000 9.394 0.000) 9.394 10.321 ( 0.000 9.002 0.000) 9.002 10.347 ( 0.000 -0.948 0.000) 0.948 10.396 ( 0.000 7.788 0.000) 7.788 10.409 ( 0.000 -2.667 0.000) 2.667 10.639 ( 0.000 13.772 0.000) 13.772 10.977 ( 0.000 1.184 0.000) 1.184 11.212 ( 0.000 4.389 0.000) 4.389 11.286 ( 0.000 -0.019 0.000) 0.019 11.393 ( 0.000 13.902 0.000) 13.902 11.508 ( 0.000 8.341 0.000) 8.341 11.738 ( 0.000 1.392 0.000) 1.392 12.160 ( 0.000 8.495 0.000) 8.495 12.398 ( 0.000 -2.442 0.000) 2.442 12.479 ( 0.000 7.439 0.000) 7.439 12.719 ( 0.000 -2.247 0.000) 2.247 13.279 ( 0.000 -3.356 0.000) 3.356 13.321 ( 0.000 -3.906 0.000) 3.906 13.360 ( 0.000 -5.310 0.000) 5.310 13.643 ( 0.000 -0.895 0.000) 0.895 13.686 ( 0.000 -0.848 0.000) 0.848 14.055 ( 0.000 2.153 0.000) 2.153 14.239 ( 0.000 0.394 0.000) 0.394 14.721 ( 0.000 -2.070 0.000) 2.070 14.861 ( 0.000 -1.172 0.000) 1.172 15.324 ( 0.000 -4.970 0.000) 4.970 15.762 ( 0.000 -4.728 0.000) 4.728 16.151 ( 0.000 2.665 0.000) 2.665 16.267 ( 0.000 -7.409 0.000) 7.409 16.727 ( 0.000 -3.806 0.000) 3.806 16.833 ( 0.000 2.448 0.000) 2.448 17.118 ( 0.000 -1.441 0.000) 1.441 17.326 ( 0.000 -9.841 0.000) 9.841 17.336 ( 0.000 -6.625 0.000) 6.625 17.613 ( 0.000 -2.203 0.000) 2.203 17.736 ( 0.000 -4.607 0.000) 4.607 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 26.451 16.847 0.000) 31.360 1.083 ( 29.251 20.732 0.000) 35.853 1.598 ( 27.983 44.374 0.000) 52.460 1.828 ( -15.816 27.346 0.000) 31.591 1.837 ( -9.312 4.061 0.000) 10.159 2.247 ( 0.083 -1.590 0.000) 1.592 2.259 ( 0.495 -0.946 0.000) 1.067 2.482 ( 11.357 6.871 0.000) 13.274 2.759 ( 2.557 -3.757 0.000) 4.545 2.783 ( -8.691 0.875 0.000) 8.735 2.857 ( 0.271 -6.021 0.000) 6.027 2.948 ( 5.901 14.231 0.000) 15.406 3.015 ( 2.450 0.376 0.000) 2.478 3.017 ( 5.413 1.440 0.000) 5.601 3.123 ( -6.944 -3.677 0.000) 7.858 3.271 ( -8.456 12.011 0.000) 14.689 3.326 ( -10.493 -0.705 0.000) 10.516 3.603 ( 5.050 16.597 0.000) 17.348 3.706 ( -2.125 9.897 0.000) 10.122 3.833 ( -3.858 25.125 0.000) 25.420 3.835 ( -3.713 20.183 0.000) 20.522 3.988 ( 6.244 6.333 0.000) 8.894 4.023 ( -31.276 1.779 0.000) 31.326 4.254 ( 8.143 12.365 0.000) 14.805 4.325 ( -6.637 14.225 0.000) 15.697 4.417 ( 5.946 -3.822 0.000) 7.068 4.510 ( -10.856 -2.199 0.000) 11.076 4.631 ( -0.168 -12.028 0.000) 12.029 4.938 ( 0.673 -5.870 0.000) 5.908 4.953 ( -3.221 -0.905 0.000) 3.345 5.012 ( 1.823 -6.790 0.000) 7.031 5.143 ( -2.792 0.731 0.000) 2.886 5.251 ( 0.096 0.353 0.000) 0.365 5.262 ( 3.379 -4.004 0.000) 5.239 5.306 ( -0.876 7.839 0.000) 7.888 5.514 ( 13.892 0.477 0.000) 13.901 5.548 ( -3.214 -2.829 0.000) 4.282 5.636 ( 5.219 -4.441 0.000) 6.853 5.854 ( 6.529 3.868 0.000) 7.589 6.044 ( -10.208 4.291 0.000) 11.073 6.071 ( 3.391 2.677 0.000) 4.320 6.119 ( -4.435 8.003 0.000) 9.150 6.165 ( 7.341 1.195 0.000) 7.438 6.364 ( 3.049 -3.309 0.000) 4.500 6.422 ( 2.324 20.162 0.000) 20.295 6.612 ( 3.886 2.294 0.000) 4.513 6.784 ( 1.223 1.323 0.000) 1.801 6.798 ( -2.662 19.689 0.000) 19.868 6.828 ( 15.127 8.038 0.000) 17.130 6.932 ( 15.895 11.125 0.000) 19.401 7.243 ( -2.204 19.679 0.000) 19.802 7.728 ( -0.199 2.909 0.000) 2.915 7.811 ( -20.308 5.861 0.000) 21.137 7.885 ( 1.406 -3.219 0.000) 3.513 7.916 ( -12.002 -1.719 0.000) 12.125 7.916 ( -15.131 1.458 0.000) 15.201 7.935 ( -4.940 -2.224 0.000) 5.417 8.035 ( -8.868 -0.092 0.000) 8.869 8.204 ( -7.634 5.413 0.000) 9.359 8.364 ( -5.821 -1.561 0.000) 6.026 8.540 ( 8.247 -2.211 0.000) 8.539 8.550 ( 6.505 -2.450 0.000) 6.951 8.702 ( 2.872 11.115 0.000) 11.480 8.811 ( 7.570 6.464 0.000) 9.954 8.880 ( 13.442 6.336 0.000) 14.861 8.992 ( -1.074 1.732 0.000) 2.038 9.203 ( 0.772 14.270 0.000) 14.290 9.249 ( 0.934 10.443 0.000) 10.485 9.326 ( 2.729 1.224 0.000) 2.991 9.522 ( -2.180 9.950 0.000) 10.186 9.934 ( -9.933 6.910 0.000) 12.100 9.953 ( -6.019 -0.756 0.000) 6.067 10.078 ( -8.769 4.998 0.000) 10.094 10.264 ( -6.588 4.851 0.000) 8.181 10.473 ( 18.705 -3.729 0.000) 19.073 10.590 ( 12.074 11.190 0.000) 16.462 10.656 ( 3.816 5.481 0.000) 6.678 10.725 ( 15.876 -4.976 0.000) 16.637 11.018 ( 3.606 -0.332 0.000) 3.621 11.209 ( -0.351 4.887 0.000) 4.899 11.250 ( -3.361 2.833 0.000) 4.396 11.372 ( -1.878 12.095 0.000) 12.240 11.429 ( -4.882 10.959 0.000) 11.997 11.581 ( -13.510 1.201 0.000) 13.563 12.242 ( 6.582 5.428 0.000) 8.531 12.419 ( 0.366 -1.062 0.000) 1.123 12.582 ( 5.024 -4.903 0.000) 7.020 12.695 ( -2.128 -3.322 0.000) 3.945 13.298 ( 1.601 -3.533 0.000) 3.879 13.326 ( 0.881 -2.090 0.000) 2.268 13.368 ( 0.778 -5.744 0.000) 5.796 13.564 ( -6.161 -1.955 0.000) 6.463 13.761 ( 5.219 1.364 0.000) 5.394 14.009 ( -4.375 1.473 0.000) 4.616 14.253 ( 5.031 2.196 0.000) 5.489 14.624 ( -8.055 -2.217 0.000) 8.354 14.928 ( 5.414 -1.352 0.000) 5.580 15.233 ( -7.640 -3.760 0.000) 8.516 15.800 ( 3.480 -2.834 0.000) 4.488 16.058 ( -11.201 6.424 0.000) 12.913 16.272 ( 10.300 0.829 0.000) 10.333 16.674 ( -5.151 -4.105 0.000) 6.587 16.788 ( -0.905 -3.031 0.000) 3.163 16.961 ( -9.961 -2.805 0.000) 10.348 17.390 ( 5.602 -8.526 0.000) 10.202 17.471 ( 8.475 -5.395 0.000) 10.046 17.608 ( -2.446 -5.105 0.000) 5.660 17.709 ( -2.750 -4.673 0.000) 5.422 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -16.791 11.195 0.000) 20.180 1.451 ( 16.791 11.195 0.000) 20.180 1.506 ( -10.107 30.145 0.000) 31.794 1.506 ( 10.107 30.145 0.000) 31.794 2.215 ( -6.476 1.158 0.000) 6.579 2.215 ( 6.476 1.158 0.000) 6.579 2.420 ( -25.911 7.092 0.000) 26.864 2.420 ( 25.911 7.092 0.000) 26.864 2.691 ( -8.264 1.285 0.000) 8.364 2.691 ( 8.264 1.285 0.000) 8.364 2.933 ( -8.826 -1.328 0.000) 8.925 2.933 ( 8.826 -1.328 0.000) 8.925 3.104 ( -8.156 12.424 0.000) 14.862 3.104 ( 8.156 12.424 0.000) 14.862 3.124 ( -7.211 -0.961 0.000) 7.275 3.124 ( 7.211 -0.961 0.000) 7.275 3.319 ( -23.300 -2.068 0.000) 23.392 3.319 ( 23.300 -2.068 0.000) 23.392 3.708 ( -4.204 15.221 0.000) 15.791 3.708 ( 4.204 15.221 0.000) 15.791 3.777 ( -0.031 25.935 0.000) 25.935 3.777 ( 0.031 25.935 0.000) 25.935 4.151 ( -9.011 8.520 0.000) 12.401 4.151 ( 9.011 8.520 0.000) 12.401 4.392 ( -5.160 4.558 0.000) 6.885 4.392 ( 5.160 4.558 0.000) 6.885 4.566 ( -6.695 -7.931 0.000) 10.379 4.566 ( 6.695 -7.931 0.000) 10.379 4.927 ( -0.706 -3.153 0.000) 3.231 4.927 ( 0.706 -3.153 0.000) 3.231 5.063 ( -3.425 -0.739 0.000) 3.504 5.063 ( 3.425 -0.739 0.000) 3.504 5.270 ( -1.782 3.185 0.000) 3.650 5.270 ( 1.782 3.185 0.000) 3.650 5.411 ( -8.520 -5.898 0.000) 10.362 5.411 ( 8.520 -5.898 0.000) 10.362 5.765 ( -3.818 -0.368 0.000) 3.835 5.765 ( 3.818 -0.368 0.000) 3.835 5.842 ( -1.225 2.254 0.000) 2.565 5.842 ( 1.225 2.254 0.000) 2.565 6.006 ( -5.837 7.204 0.000) 9.272 6.006 ( 5.837 7.204 0.000) 9.272 6.406 ( -0.922 9.278 0.000) 9.324 6.406 ( 0.922 9.278 0.000) 9.324 6.562 ( -8.393 -6.586 0.000) 10.668 6.562 ( 8.393 -6.586 0.000) 10.668 6.810 ( -0.527 10.455 0.000) 10.468 6.810 ( 0.527 10.455 0.000) 10.468 7.154 ( -7.173 17.686 0.000) 19.086 7.154 ( 7.173 17.686 0.000) 19.086 7.272 ( -25.427 14.135 0.000) 29.092 7.272 ( 25.427 14.135 0.000) 29.092 7.734 ( -2.535 1.103 0.000) 2.765 7.734 ( 2.535 1.103 0.000) 2.765 7.843 ( -4.542 -2.524 0.000) 5.196 7.843 ( 4.542 -2.524 0.000) 5.196 7.915 ( -1.508 -1.977 0.000) 2.486 7.915 ( 1.508 -1.977 0.000) 2.486 8.207 ( -6.399 0.170 0.000) 6.401 8.207 ( 6.399 0.170 0.000) 6.401 8.622 ( -0.008 -3.006 0.000) 3.006 8.622 ( 0.008 -3.006 0.000) 3.006 8.859 ( -8.504 13.787 0.000) 16.198 8.859 ( 8.504 13.787 0.000) 16.198 8.980 ( -6.331 4.006 0.000) 7.492 8.980 ( 6.331 4.006 0.000) 7.492 9.280 ( -5.503 0.862 0.000) 5.570 9.280 ( 5.503 0.862 0.000) 5.570 9.373 ( -10.603 9.421 0.000) 14.184 9.373 ( 10.603 9.421 0.000) 14.184 9.882 ( -5.310 8.102 0.000) 9.687 9.882 ( 5.310 8.102 0.000) 9.687 10.055 ( -11.694 7.316 0.000) 13.794 10.055 ( 11.694 7.316 0.000) 13.794 10.674 ( -1.227 5.065 0.000) 5.212 10.674 ( 1.227 5.065 0.000) 5.212 10.825 ( -5.950 -1.982 0.000) 6.271 10.825 ( 5.950 -1.982 0.000) 6.271 11.199 ( -1.674 4.364 0.000) 4.675 11.199 ( 1.674 4.364 0.000) 4.675 11.233 ( -13.619 3.022 0.000) 13.950 11.233 ( 13.619 3.022 0.000) 13.950 11.377 ( -0.509 10.541 0.000) 10.553 11.377 ( 0.509 10.541 0.000) 10.553 12.371 ( -5.014 1.501 0.000) 5.234 12.371 ( 5.014 1.501 0.000) 5.234 12.647 ( -2.358 -5.509 0.000) 5.992 12.647 ( 2.358 -5.509 0.000) 5.992 13.329 ( -1.093 -2.926 0.000) 3.123 13.329 ( 1.093 -2.926 0.000) 3.123 13.430 ( -5.705 -2.459 0.000) 6.212 13.430 ( 5.705 -2.459 0.000) 6.212 13.890 ( -6.790 0.677 0.000) 6.824 13.890 ( 6.790 0.677 0.000) 6.824 14.429 ( -10.340 -1.182 0.000) 10.408 14.429 ( 10.340 -1.182 0.000) 10.408 15.066 ( -7.910 -2.226 0.000) 8.218 15.066 ( 7.910 -2.226 0.000) 8.218 15.895 ( -5.837 1.839 0.000) 6.119 15.895 ( 5.837 1.839 0.000) 6.119 16.506 ( -11.145 -1.847 0.000) 11.297 16.506 ( 11.145 -1.847 0.000) 11.297 16.814 ( -3.818 -4.785 0.000) 6.121 16.814 ( 3.818 -4.785 0.000) 6.121 17.516 ( -5.969 -6.493 0.000) 8.820 17.516 ( 5.969 -6.493 0.000) 8.820 17.621 ( -5.901 -4.939 0.000) 7.696 17.621 ( 5.901 -4.939 0.000) 7.696 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 25.776 0.000) 25.776 1.143 ( 0.000 28.003 0.000) 28.003 1.962 ( 0.000 1.594 0.000) 1.594 2.205 ( 0.000 -1.276 0.000) 1.276 2.249 ( 0.000 -0.423 0.000) 0.423 2.383 ( 0.000 7.987 0.000) 7.987 2.465 ( 0.000 6.204 0.000) 6.204 2.483 ( 0.000 40.957 0.000) 40.957 2.637 ( 0.000 -7.285 0.000) 7.285 2.656 ( 0.000 -0.135 0.000) 0.135 2.794 ( 0.000 -5.145 0.000) 5.145 3.071 ( 0.000 3.452 0.000) 3.452 3.077 ( 0.000 -4.497 0.000) 4.497 3.195 ( 0.000 15.344 0.000) 15.344 3.319 ( 0.000 23.699 0.000) 23.699 3.481 ( 0.000 4.494 0.000) 4.494 3.623 ( 0.000 5.943 0.000) 5.943 3.746 ( 0.000 12.278 0.000) 12.278 3.825 ( 0.000 2.805 0.000) 2.805 3.914 ( 0.000 3.920 0.000) 3.920 4.011 ( 0.000 -6.669 0.000) 6.669 4.150 ( 0.000 -20.975 0.000) 20.975 4.372 ( 0.000 14.154 0.000) 14.154 4.496 ( 0.000 16.144 0.000) 16.144 4.551 ( 0.000 9.392 0.000) 9.392 4.623 ( 0.000 24.647 0.000) 24.647 4.663 ( 0.000 11.694 0.000) 11.694 4.797 ( 0.000 -9.736 0.000) 9.736 4.938 ( 0.000 1.077 0.000) 1.077 4.948 ( 0.000 15.889 0.000) 15.889 4.950 ( 0.000 -2.763 0.000) 2.763 5.132 ( 0.000 -10.056 0.000) 10.056 5.153 ( 0.000 -2.315 0.000) 2.315 5.160 ( 0.000 -0.571 0.000) 0.571 5.190 ( 0.000 1.263 0.000) 1.263 5.469 ( 0.000 -2.708 0.000) 2.708 5.632 ( 0.000 8.847 0.000) 8.847 5.640 ( 0.000 6.117 0.000) 6.117 5.769 ( 0.000 15.080 0.000) 15.080 6.001 ( 0.000 7.690 0.000) 7.690 6.231 ( 0.000 4.084 0.000) 4.084 6.301 ( 0.000 5.698 0.000) 5.698 6.377 ( 0.000 4.389 0.000) 4.389 6.379 ( 0.000 -0.978 0.000) 0.978 6.492 ( 0.000 -10.484 0.000) 10.484 6.628 ( 0.000 6.847 0.000) 6.847 6.746 ( 0.000 0.451 0.000) 0.451 7.067 ( 0.000 21.317 0.000) 21.317 7.207 ( 0.000 13.327 0.000) 13.327 7.239 ( 0.000 47.496 0.000) 47.496 7.706 ( 0.000 18.522 0.000) 18.522 7.767 ( 0.000 -4.353 0.000) 4.353 7.778 ( 0.000 -1.023 0.000) 1.023 7.906 ( 0.000 -11.440 0.000) 11.440 7.911 ( 0.000 5.788 0.000) 5.788 7.962 ( 0.000 -0.151 0.000) 0.151 8.067 ( 0.000 -6.423 0.000) 6.423 8.190 ( 0.000 0.492 0.000) 0.492 8.362 ( 0.000 -4.019 0.000) 4.019 8.443 ( 0.000 6.293 0.000) 6.293 8.636 ( 0.000 8.180 0.000) 8.180 8.641 ( 0.000 1.569 0.000) 1.569 8.658 ( 0.000 2.715 0.000) 2.715 8.725 ( 0.000 2.053 0.000) 2.053 8.978 ( 0.000 -0.236 0.000) 0.236 9.089 ( 0.000 16.298 0.000) 16.298 9.308 ( 0.000 -7.976 0.000) 7.976 9.547 ( 0.000 18.508 0.000) 18.508 9.557 ( 0.000 11.627 0.000) 11.627 9.627 ( 0.000 21.651 0.000) 21.651 9.910 ( 0.000 7.167 0.000) 7.167 10.054 ( 0.000 0.881 0.000) 0.881 10.289 ( 0.000 -0.595 0.000) 0.595 10.321 ( 0.000 -6.447 0.000) 6.447 10.459 ( 0.000 18.307 0.000) 18.307 10.553 ( 0.000 7.769 0.000) 7.769 10.625 ( 0.000 20.126 0.000) 20.126 10.992 ( 0.000 22.361 0.000) 22.361 11.041 ( 0.000 5.737 0.000) 5.737 11.338 ( 0.000 8.436 0.000) 8.436 11.359 ( 0.000 8.348 0.000) 8.348 11.644 ( 0.000 6.860 0.000) 6.860 11.686 ( 0.000 9.437 0.000) 9.437 11.854 ( 0.000 13.377 0.000) 13.377 12.347 ( 0.000 -2.515 0.000) 2.515 12.355 ( 0.000 9.758 0.000) 9.758 12.626 ( 0.000 -8.049 0.000) 8.049 12.639 ( 0.000 6.940 0.000) 6.940 13.162 ( 0.000 -8.904 0.000) 8.904 13.201 ( 0.000 -10.963 0.000) 10.963 13.229 ( 0.000 -4.875 0.000) 4.875 13.627 ( 0.000 -5.934 0.000) 5.934 13.685 ( 0.000 7.357 0.000) 7.357 14.118 ( 0.000 4.081 0.000) 4.081 14.274 ( 0.000 3.630 0.000) 3.630 14.706 ( 0.000 2.023 0.000) 2.023 14.814 ( 0.000 -4.174 0.000) 4.174 15.187 ( 0.000 -8.764 0.000) 8.764 15.643 ( 0.000 -6.634 0.000) 6.634 16.016 ( 0.000 -15.864 0.000) 15.864 16.272 ( 0.000 7.548 0.000) 7.548 16.612 ( 0.000 -8.074 0.000) 8.074 16.903 ( 0.000 4.610 0.000) 4.610 17.051 ( 0.000 -12.710 0.000) 12.710 17.086 ( 0.000 -6.623 0.000) 6.623 17.173 ( 0.000 -9.162 0.000) 9.162 17.548 ( 0.000 -4.358 0.000) 4.358 17.600 ( 0.000 -9.253 0.000) 9.253 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 15.429 21.937 0.000) 26.819 1.395 ( 29.985 16.019 0.000) 33.995 1.901 ( -6.701 4.186 0.000) 7.901 2.188 ( -3.174 1.968 0.000) 3.734 2.232 ( -1.277 -0.620 0.000) 1.420 2.266 ( -7.296 9.540 0.000) 12.010 2.530 ( 4.649 28.515 0.000) 28.892 2.538 ( 4.105 0.727 0.000) 4.169 2.676 ( 3.571 -3.634 0.000) 5.094 2.730 ( 6.245 0.876 0.000) 6.306 2.791 ( -0.610 -2.859 0.000) 2.924 3.017 ( -5.696 -5.398 0.000) 7.847 3.085 ( 2.872 4.097 0.000) 5.003 3.162 ( -1.241 13.191 0.000) 13.249 3.339 ( -10.348 3.431 0.000) 10.902 3.358 ( 2.538 23.722 0.000) 23.857 3.532 ( -3.458 17.034 0.000) 17.382 3.764 ( -8.401 -0.652 0.000) 8.427 3.864 ( 2.144 7.751 0.000) 8.042 3.943 ( 7.796 1.156 0.000) 7.882 4.088 ( -10.051 -3.638 0.000) 10.689 4.167 ( 11.498 -4.426 0.000) 12.321 4.300 ( -6.444 4.683 0.000) 7.966 4.367 ( -12.255 13.131 0.000) 17.961 4.436 ( -7.496 9.299 0.000) 11.944 4.545 ( -6.202 5.245 0.000) 8.123 4.639 ( 0.618 20.006 0.000) 20.015 4.680 ( -1.587 11.643 0.000) 11.750 4.849 ( 3.662 -3.953 0.000) 5.388 4.927 ( -5.527 -1.302 0.000) 5.678 5.009 ( 4.559 11.276 0.000) 12.163 5.161 ( 2.975 -6.998 0.000) 7.604 5.161 ( 3.896 -3.354 0.000) 5.140 5.269 ( 2.906 7.011 0.000) 7.589 5.334 ( 0.130 1.338 0.000) 1.344 5.535 ( 1.994 -1.249 0.000) 2.353 5.585 ( -1.366 3.213 0.000) 3.492 5.642 ( 6.911 9.265 0.000) 11.559 5.941 ( 11.080 6.022 0.000) 12.611 6.068 ( -15.709 -2.804 0.000) 15.957 6.158 ( -8.782 6.924 0.000) 11.183 6.197 ( 16.817 3.798 0.000) 17.241 6.267 ( -4.008 6.648 0.000) 7.763 6.337 ( 1.052 1.284 0.000) 1.660 6.662 ( -7.803 3.381 0.000) 8.504 6.678 ( 1.652 4.099 0.000) 4.420 6.791 ( 14.878 -3.010 0.000) 15.180 7.146 ( 10.976 21.199 0.000) 23.872 7.153 ( -4.525 13.260 0.000) 14.011 7.433 ( 14.470 35.968 0.000) 38.769 7.617 ( -8.429 9.140 0.000) 12.433 7.773 ( 1.202 -0.395 0.000) 1.265 7.783 ( -2.685 -6.208 0.000) 6.764 7.801 ( -3.987 -2.447 0.000) 4.678 7.875 ( -2.573 1.968 0.000) 3.240 7.892 ( -1.888 5.891 0.000) 6.186 8.020 ( -6.890 2.200 0.000) 7.233 8.159 ( -14.719 14.317 0.000) 20.534 8.320 ( -8.469 5.499 0.000) 10.098 8.367 ( -10.431 2.018 0.000) 10.625 8.487 ( 3.174 -3.270 0.000) 4.558 8.490 ( 5.087 -1.183 0.000) 5.223 8.830 ( 8.976 3.740 0.000) 9.724 8.951 ( 10.934 0.744 0.000) 10.959 9.020 ( 5.772 2.085 0.000) 6.137 9.069 ( 0.660 15.154 0.000) 15.168 9.283 ( 1.957 -3.804 0.000) 4.278 9.486 ( -7.147 13.143 0.000) 14.961 9.602 ( -1.743 22.065 0.000) 22.133 9.799 ( -6.112 11.572 0.000) 13.087 9.965 ( 8.161 7.447 0.000) 11.048 10.127 ( 13.176 2.085 0.000) 13.340 10.153 ( -7.878 12.982 0.000) 15.185 10.424 ( -1.118 13.034 0.000) 13.082 10.482 ( 16.401 -1.496 0.000) 16.469 10.620 ( 5.988 -0.070 0.000) 5.989 10.750 ( 2.905 9.131 0.000) 9.582 10.970 ( -0.768 22.515 0.000) 22.528 11.084 ( 4.808 6.195 0.000) 7.841 11.336 ( -0.369 8.302 0.000) 8.311 11.350 ( -0.836 8.509 0.000) 8.550 11.532 ( -11.158 1.201 0.000) 11.222 11.650 ( -2.715 10.715 0.000) 11.053 11.730 ( -7.862 14.479 0.000) 16.476 12.378 ( 2.038 7.547 0.000) 7.817 12.404 ( 2.931 -0.074 0.000) 2.932 12.595 ( -2.264 -6.948 0.000) 7.308 12.610 ( -2.395 4.269 0.000) 4.895 13.172 ( 0.937 -9.478 0.000) 9.525 13.200 ( -0.023 -11.223 0.000) 11.223 13.272 ( 4.036 -3.335 0.000) 5.236 13.520 ( -6.379 -2.370 0.000) 6.805 13.796 ( 6.422 3.110 0.000) 7.135 14.058 ( -5.390 3.382 0.000) 6.363 14.302 ( 3.408 3.944 0.000) 5.212 14.593 ( -8.181 0.068 0.000) 8.181 14.886 ( 4.948 -2.874 0.000) 5.722 15.125 ( -5.388 -7.040 0.000) 8.866 15.728 ( 7.306 -4.238 0.000) 8.446 15.994 ( -2.762 -12.034 0.000) 12.347 16.334 ( 5.568 5.815 0.000) 8.051 16.549 ( -4.650 -8.555 0.000) 9.737 16.793 ( -7.285 3.528 0.000) 8.094 16.897 ( -10.057 -3.299 0.000) 10.584 17.170 ( 8.635 -13.353 0.000) 15.902 17.334 ( 8.758 -8.233 0.000) 12.020 17.496 ( -4.941 -6.726 0.000) 8.346 17.576 ( -2.689 -8.579 0.000) 8.990 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -15.354 12.122 0.000) 19.563 1.661 ( 15.354 12.122 0.000) 19.563 1.939 ( -19.714 12.712 0.000) 23.457 1.939 ( 19.714 12.712 0.000) 23.457 2.217 ( -0.020 -0.934 0.000) 0.934 2.217 ( 0.020 -0.934 0.000) 0.934 2.593 ( -0.280 1.213 0.000) 1.245 2.593 ( 0.280 1.213 0.000) 1.245 2.753 ( -3.253 3.769 0.000) 4.979 2.753 ( 3.253 3.769 0.000) 4.979 2.882 ( -7.284 -1.214 0.000) 7.384 2.882 ( 7.284 -1.214 0.000) 7.384 3.183 ( -4.058 7.703 0.000) 8.706 3.183 ( 4.058 7.703 0.000) 8.706 3.298 ( -16.237 2.244 0.000) 16.391 3.298 ( 16.237 2.244 0.000) 16.391 3.491 ( -2.717 26.165 0.000) 26.306 3.491 ( 2.717 26.165 0.000) 26.306 3.912 ( -3.825 6.875 0.000) 7.867 3.912 ( 3.825 6.875 0.000) 7.867 4.133 ( -9.739 -0.387 0.000) 9.746 4.133 ( 9.739 -0.387 0.000) 9.746 4.315 ( -3.297 3.802 0.000) 5.032 4.315 ( 3.297 3.802 0.000) 5.032 4.401 ( -9.826 2.518 0.000) 10.143 4.401 ( 9.826 2.518 0.000) 10.143 4.649 ( -0.683 16.449 0.000) 16.463 4.649 ( 0.683 16.449 0.000) 16.463 4.894 ( -0.401 0.649 0.000) 0.763 4.894 ( 0.401 0.649 0.000) 0.763 5.118 ( -6.036 2.791 0.000) 6.650 5.118 ( 6.036 2.791 0.000) 6.650 5.246 ( -4.797 -0.455 0.000) 4.819 5.246 ( 4.797 -0.455 0.000) 4.819 5.400 ( -8.520 5.979 0.000) 10.409 5.400 ( 8.520 5.979 0.000) 10.409 5.729 ( -8.035 -3.779 0.000) 8.879 5.729 ( 8.035 -3.779 0.000) 8.879 5.936 ( -9.784 7.486 0.000) 12.320 5.936 ( 9.784 7.486 0.000) 12.320 6.135 ( -8.113 6.718 0.000) 10.534 6.135 ( 8.113 6.718 0.000) 10.534 6.433 ( -4.175 -1.350 0.000) 4.388 6.433 ( 4.175 -1.350 0.000) 4.388 6.589 ( -8.707 4.089 0.000) 9.619 6.589 ( 8.707 4.089 0.000) 9.619 7.030 ( -8.351 6.314 0.000) 10.469 7.030 ( 8.351 6.314 0.000) 10.469 7.423 ( -11.782 10.856 0.000) 16.021 7.423 ( 11.782 10.856 0.000) 16.021 7.720 ( -7.623 7.091 0.000) 10.411 7.720 ( 7.623 7.091 0.000) 10.411 7.762 ( -9.778 5.637 0.000) 11.287 7.762 ( 9.778 5.637 0.000) 11.287 7.840 ( -5.566 7.467 0.000) 9.313 7.840 ( 5.566 7.467 0.000) 9.313 7.901 ( -2.448 14.612 0.000) 14.815 7.901 ( 2.448 14.612 0.000) 14.815 8.237 ( -2.085 2.652 0.000) 3.374 8.237 ( 2.085 2.652 0.000) 3.374 8.542 ( -0.477 -4.775 0.000) 4.799 8.542 ( 0.477 -4.775 0.000) 4.799 9.040 ( -0.656 3.899 0.000) 3.954 9.040 ( 0.656 3.899 0.000) 3.954 9.127 ( -5.545 8.240 0.000) 9.932 9.127 ( 5.545 8.240 0.000) 9.932 9.289 ( -3.291 0.739 0.000) 3.373 9.289 ( 3.291 0.739 0.000) 3.373 9.631 ( -5.595 16.250 0.000) 17.187 9.631 ( 5.595 16.250 0.000) 17.187 10.084 ( -0.741 12.355 0.000) 12.377 10.084 ( 0.741 12.355 0.000) 12.377 10.318 ( -9.771 19.225 0.000) 21.566 10.318 ( 9.771 19.225 0.000) 21.566 10.715 ( -3.223 -3.337 0.000) 4.639 10.715 ( 3.223 -3.337 0.000) 4.639 10.876 ( -13.318 8.784 0.000) 15.954 10.876 ( 13.318 8.784 0.000) 15.954 11.255 ( -11.128 2.842 0.000) 11.485 11.255 ( 11.128 2.842 0.000) 11.485 11.341 ( -0.994 7.505 0.000) 7.571 11.341 ( 0.994 7.505 0.000) 7.571 11.625 ( -1.586 12.771 0.000) 12.869 11.625 ( 1.586 12.771 0.000) 12.869 12.418 ( -1.267 3.333 0.000) 3.565 12.418 ( 1.267 3.333 0.000) 3.565 12.572 ( -0.574 -1.928 0.000) 2.012 12.572 ( 0.574 -1.928 0.000) 2.012 13.193 ( -0.815 -10.617 0.000) 10.648 13.193 ( 0.815 -10.617 0.000) 10.648 13.385 ( -6.595 -2.356 0.000) 7.003 13.385 ( 6.595 -2.356 0.000) 7.003 13.928 ( -6.684 2.923 0.000) 7.295 13.928 ( 6.684 2.923 0.000) 7.295 14.422 ( -7.872 1.687 0.000) 8.051 14.422 ( 7.872 1.687 0.000) 8.051 15.001 ( -6.210 -4.356 0.000) 7.586 15.001 ( 6.210 -4.356 0.000) 7.586 15.889 ( -7.338 -4.075 0.000) 8.394 15.889 ( 7.338 -4.075 0.000) 8.394 16.453 ( -5.114 -2.586 0.000) 5.731 16.453 ( 5.114 -2.586 0.000) 5.731 16.740 ( -3.499 -1.492 0.000) 3.803 16.740 ( 3.499 -1.492 0.000) 3.803 17.355 ( -8.590 -9.763 0.000) 13.004 17.355 ( 8.590 -9.763 0.000) 13.004 17.487 ( -6.073 -8.507 0.000) 10.452 17.487 ( 6.073 -8.507 0.000) 10.452 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 23.942 0.000) 23.942 1.656 ( 0.000 23.701 0.000) 23.701 1.986 ( 0.000 0.831 0.000) 0.831 2.176 ( 0.000 -1.445 0.000) 1.445 2.238 ( 0.000 -0.448 0.000) 0.448 2.484 ( 0.000 3.878 0.000) 3.878 2.516 ( 0.000 -6.270 0.000) 6.270 2.532 ( 0.000 -2.748 0.000) 2.748 2.566 ( 0.000 4.161 0.000) 4.161 2.698 ( 0.000 -3.497 0.000) 3.497 2.932 ( 0.000 0.413 0.000) 0.413 2.964 ( 0.000 -6.112 0.000) 6.112 3.151 ( 0.000 4.726 0.000) 4.726 3.377 ( 0.000 1.169 0.000) 1.169 3.559 ( 0.000 -4.339 0.000) 4.339 3.679 ( 0.000 -0.524 0.000) 0.524 3.724 ( 0.000 -15.621 0.000) 15.621 3.779 ( 0.000 15.511 0.000) 15.511 3.852 ( 0.000 0.585 0.000) 0.585 3.957 ( 0.000 11.485 0.000) 11.485 4.078 ( 0.000 11.083 0.000) 11.083 4.222 ( 0.000 32.872 0.000) 32.872 4.528 ( 0.000 -4.530 0.000) 4.530 4.531 ( 0.000 7.607 0.000) 7.607 4.617 ( 0.000 -6.586 0.000) 6.586 4.649 ( 0.000 -6.384 0.000) 6.384 4.841 ( 0.000 7.979 0.000) 7.979 4.849 ( 0.000 -9.864 0.000) 9.864 4.872 ( 0.000 -1.898 0.000) 1.898 5.055 ( 0.000 0.154 0.000) 0.154 5.106 ( 0.000 -4.002 0.000) 4.002 5.140 ( 0.000 17.694 0.000) 17.694 5.232 ( 0.000 8.823 0.000) 8.823 5.237 ( 0.000 10.725 0.000) 10.725 5.305 ( 0.000 5.229 0.000) 5.229 5.493 ( 0.000 11.553 0.000) 11.553 5.827 ( 0.000 11.659 0.000) 11.659 5.849 ( 0.000 8.533 0.000) 8.533 5.996 ( 0.000 5.435 0.000) 5.435 6.146 ( 0.000 6.050 0.000) 6.050 6.274 ( 0.000 -0.713 0.000) 0.713 6.320 ( 0.000 -4.485 0.000) 4.485 6.395 ( 0.000 4.582 0.000) 4.582 6.414 ( 0.000 6.915 0.000) 6.915 6.514 ( 0.000 8.823 0.000) 8.823 6.742 ( 0.000 -1.052 0.000) 1.052 6.766 ( 0.000 6.527 0.000) 6.527 7.266 ( 0.000 -10.787 0.000) 10.787 7.477 ( 0.000 19.408 0.000) 19.408 7.601 ( 0.000 -5.267 0.000) 5.267 7.674 ( 0.000 -7.131 0.000) 7.131 7.727 ( 0.000 -3.565 0.000) 3.565 7.762 ( 0.000 -2.911 0.000) 2.911 7.975 ( 0.000 -1.690 0.000) 1.690 8.033 ( 0.000 17.836 0.000) 17.836 8.057 ( 0.000 7.158 0.000) 7.158 8.148 ( 0.000 -0.840 0.000) 0.840 8.278 ( 0.000 15.801 0.000) 15.801 8.282 ( 0.000 -2.655 0.000) 2.655 8.620 ( 0.000 10.630 0.000) 10.630 8.660 ( 0.000 -0.142 0.000) 0.142 8.758 ( 0.000 4.389 0.000) 4.389 8.770 ( 0.000 9.309 0.000) 9.309 8.824 ( 0.000 9.790 0.000) 9.790 9.022 ( 0.000 8.560 0.000) 8.560 9.113 ( 0.000 -8.273 0.000) 8.273 9.339 ( 0.000 6.442 0.000) 6.442 9.824 ( 0.000 14.824 0.000) 14.824 9.847 ( 0.000 -6.772 0.000) 6.772 9.899 ( 0.000 2.627 0.000) 2.627 9.950 ( 0.000 21.864 0.000) 21.864 10.164 ( 0.000 -9.134 0.000) 9.134 10.319 ( 0.000 6.320 0.000) 6.320 10.323 ( 0.000 12.161 0.000) 12.161 10.754 ( 0.000 17.904 0.000) 17.904 10.882 ( 0.000 21.701 0.000) 21.701 11.010 ( 0.000 17.989 0.000) 17.989 11.198 ( 0.000 9.753 0.000) 9.753 11.426 ( 0.000 14.210 0.000) 14.210 11.543 ( 0.000 12.495 0.000) 12.495 11.612 ( 0.000 15.803 0.000) 15.803 11.778 ( 0.000 14.147 0.000) 14.147 11.869 ( 0.000 10.011 0.000) 10.011 12.154 ( 0.000 15.411 0.000) 15.411 12.296 ( 0.000 -3.863 0.000) 3.863 12.401 ( 0.000 -13.123 0.000) 13.123 12.422 ( 0.000 -6.604 0.000) 6.604 12.757 ( 0.000 7.859 0.000) 7.859 12.930 ( 0.000 -16.725 0.000) 16.725 12.932 ( 0.000 -14.404 0.000) 14.404 13.140 ( 0.000 -4.995 0.000) 4.995 13.451 ( 0.000 -11.521 0.000) 11.521 13.978 ( 0.000 21.920 0.000) 21.920 14.202 ( 0.000 4.284 0.000) 4.284 14.381 ( 0.000 6.896 0.000) 6.896 14.675 ( 0.000 -10.181 0.000) 10.181 14.853 ( 0.000 13.447 0.000) 13.447 14.997 ( 0.000 -10.120 0.000) 10.120 15.538 ( 0.000 -3.687 0.000) 3.687 15.632 ( 0.000 -23.027 0.000) 23.027 16.418 ( 0.000 -10.991 0.000) 10.991 16.471 ( 0.000 12.633 0.000) 12.633 16.712 ( 0.000 -18.377 0.000) 18.377 17.010 ( 0.000 -3.789 0.000) 3.789 17.010 ( 0.000 6.232 0.000) 6.232 17.013 ( 0.000 -6.503 0.000) 6.503 17.378 ( 0.000 -13.321 0.000) 13.321 17.444 ( 0.000 -6.288 0.000) 6.288 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 19.692 16.728 0.000) 25.838 1.738 ( 7.130 19.390 0.000) 20.659 1.972 ( -1.813 2.898 0.000) 3.418 2.166 ( -0.898 -1.594 0.000) 1.830 2.218 ( -1.460 -0.286 0.000) 1.488 2.425 ( -7.168 5.872 0.000) 9.266 2.546 ( 3.262 -6.661 0.000) 7.417 2.564 ( 0.679 2.163 0.000) 2.267 2.578 ( 3.260 -1.865 0.000) 3.756 2.720 ( 1.754 -3.112 0.000) 3.572 2.904 ( -4.899 -5.526 0.000) 7.385 2.930 ( -0.146 0.427 0.000) 0.451 3.170 ( 2.111 4.816 0.000) 5.259 3.325 ( -3.607 1.472 0.000) 3.896 3.411 ( -8.321 1.430 0.000) 8.443 3.647 ( -10.463 -7.611 0.000) 12.939 3.766 ( 7.943 -4.687 0.000) 9.223 3.813 ( 4.095 12.339 0.000) 13.001 3.953 ( 0.722 1.950 0.000) 2.079 3.963 ( 4.360 -5.248 0.000) 6.822 4.062 ( -0.455 15.868 0.000) 15.874 4.271 ( 4.279 27.459 0.000) 27.791 4.426 ( -12.978 -2.715 0.000) 13.259 4.460 ( -1.054 -1.539 0.000) 1.866 4.527 ( -8.576 14.720 0.000) 17.036 4.673 ( -8.238 -0.201 0.000) 8.241 4.740 ( 7.456 -2.270 0.000) 7.794 4.866 ( 1.820 -7.331 0.000) 7.554 4.876 ( 0.671 7.806 0.000) 7.835 5.013 ( -4.529 12.121 0.000) 12.939 5.102 ( 0.909 -1.502 0.000) 1.756 5.134 ( -0.220 13.688 0.000) 13.690 5.229 ( 7.041 -4.075 0.000) 8.136 5.330 ( 1.055 6.425 0.000) 6.511 5.524 ( 3.369 6.160 0.000) 7.021 5.525 ( 8.782 8.242 0.000) 12.044 5.766 ( -5.259 11.830 0.000) 12.946 5.777 ( -3.818 2.252 0.000) 4.432 6.029 ( -4.747 4.213 0.000) 6.347 6.128 ( 9.223 6.988 0.000) 11.571 6.293 ( -2.363 5.352 0.000) 5.850 6.309 ( 5.241 8.876 0.000) 10.308 6.319 ( -2.327 -0.038 0.000) 2.327 6.457 ( -5.352 9.958 0.000) 11.305 6.645 ( 4.478 -5.994 0.000) 7.482 6.727 ( 6.368 -0.636 0.000) 6.400 6.749 ( -2.694 2.364 0.000) 3.584 7.180 ( -7.578 -11.642 0.000) 13.891 7.524 ( 3.204 13.863 0.000) 14.229 7.623 ( -6.767 1.586 0.000) 6.951 7.642 ( 3.557 -4.505 0.000) 5.740 7.681 ( 3.272 -1.095 0.000) 3.450 7.748 ( -1.110 -3.378 0.000) 3.556 7.919 ( -2.897 1.678 0.000) 3.348 7.937 ( -4.465 8.844 0.000) 9.908 8.138 ( -4.501 2.109 0.000) 4.970 8.167 ( 5.481 10.232 0.000) 11.607 8.334 ( 3.706 -4.915 0.000) 6.156 8.337 ( -2.730 4.528 0.000) 5.287 8.453 ( -9.267 3.994 0.000) 10.091 8.622 ( -3.331 20.786 0.000) 21.051 8.685 ( 4.316 22.183 0.000) 22.599 8.914 ( 9.826 5.100 0.000) 11.071 8.947 ( 7.549 -0.848 0.000) 7.596 9.089 ( 6.531 7.358 0.000) 9.838 9.206 ( 4.315 -3.759 0.000) 5.722 9.268 ( -4.476 4.668 0.000) 6.467 9.738 ( -15.308 10.190 0.000) 18.389 9.800 ( 1.303 -2.871 0.000) 3.153 9.905 ( -2.837 9.118 0.000) 9.549 10.200 ( 22.847 3.251 0.000) 23.077 10.313 ( 15.245 -1.778 0.000) 15.349 10.388 ( 6.759 14.466 0.000) 15.967 10.399 ( 5.751 11.308 0.000) 12.686 10.731 ( -10.412 16.066 0.000) 19.145 10.782 ( 4.014 15.153 0.000) 15.675 11.028 ( -3.518 19.202 0.000) 19.522 11.238 ( 3.619 9.070 0.000) 9.766 11.412 ( -2.447 13.514 0.000) 13.733 11.535 ( -8.280 12.337 0.000) 14.858 11.551 ( -11.914 7.723 0.000) 14.198 11.607 ( -0.872 16.924 0.000) 16.947 11.832 ( -2.530 8.203 0.000) 8.585 11.971 ( -10.384 8.855 0.000) 13.647 12.387 ( 2.867 -8.068 0.000) 8.562 12.430 ( 0.558 -6.134 0.000) 6.159 12.467 ( 5.950 1.565 0.000) 6.153 12.708 ( -4.649 8.041 0.000) 9.288 12.928 ( 0.039 -16.549 0.000) 16.549 12.930 ( -0.040 -15.173 0.000) 15.173 13.198 ( 4.862 -5.216 0.000) 7.130 13.410 ( -3.838 -9.763 0.000) 10.491 13.989 ( 1.220 17.618 0.000) 17.660 14.136 ( -5.327 5.093 0.000) 7.370 14.419 ( 3.574 7.684 0.000) 8.474 14.620 ( -4.680 -0.771 0.000) 4.743 14.862 ( 1.293 4.086 0.000) 4.285 14.969 ( -2.587 -8.505 0.000) 8.890 15.629 ( 6.030 -6.709 0.000) 9.020 15.653 ( 1.895 -21.701 0.000) 21.783 16.378 ( 0.029 -6.960 0.000) 6.960 16.494 ( 1.587 10.613 0.000) 10.731 16.824 ( 0.359 -7.750 0.000) 7.758 16.901 ( -9.163 7.042 0.000) 11.557 16.914 ( 5.391 -8.465 0.000) 10.036 17.165 ( 7.299 -8.685 0.000) 11.345 17.316 ( -5.992 -12.235 0.000) 13.624 17.402 ( -3.884 -8.638 0.000) 9.471 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -6.421 10.115 0.000) 11.981 1.890 ( 6.421 10.115 0.000) 11.981 2.100 ( -11.064 3.321 0.000) 11.552 2.100 ( 11.064 3.321 0.000) 11.552 2.228 ( -6.070 4.294 0.000) 7.435 2.228 ( 6.070 4.294 0.000) 7.435 2.585 ( -0.508 -0.022 0.000) 0.509 2.585 ( 0.508 -0.022 0.000) 0.509 2.676 ( -6.278 -6.116 0.000) 8.765 2.676 ( 6.278 -6.116 0.000) 8.765 2.887 ( -3.761 -0.494 0.000) 3.794 2.887 ( 3.761 -0.494 0.000) 3.794 3.259 ( -4.014 -0.550 0.000) 4.051 3.259 ( 4.014 -0.550 0.000) 4.051 3.388 ( -9.283 4.801 0.000) 10.451 3.388 ( 9.283 4.801 0.000) 10.451 3.879 ( -0.569 2.305 0.000) 2.375 3.879 ( 0.569 2.305 0.000) 2.375 3.992 ( -1.599 -8.954 0.000) 9.096 3.992 ( 1.599 -8.954 0.000) 9.096 4.124 ( -11.278 10.424 0.000) 15.357 4.124 ( 11.278 10.424 0.000) 15.357 4.384 ( -6.407 21.623 0.000) 22.552 4.384 ( 6.407 21.623 0.000) 22.552 4.529 ( -6.297 1.618 0.000) 6.501 4.529 ( 6.297 1.618 0.000) 6.501 4.853 ( -2.911 5.026 0.000) 5.808 4.853 ( 2.911 5.026 0.000) 5.808 4.935 ( -4.580 0.680 0.000) 4.630 4.935 ( 4.580 0.680 0.000) 4.630 5.127 ( -0.905 4.634 0.000) 4.722 5.127 ( 0.905 4.634 0.000) 4.722 5.316 ( -2.293 2.407 0.000) 3.324 5.316 ( 2.293 2.407 0.000) 3.324 5.609 ( -0.864 8.645 0.000) 8.688 5.609 ( 0.864 8.645 0.000) 8.688 5.679 ( -1.280 2.374 0.000) 2.697 5.679 ( 1.280 2.374 0.000) 2.697 6.116 ( -9.630 10.176 0.000) 14.011 6.116 ( 9.630 10.176 0.000) 14.011 6.300 ( -7.077 8.534 0.000) 11.086 6.300 ( 7.077 8.534 0.000) 11.086 6.400 ( -0.872 -1.309 0.000) 1.573 6.400 ( 0.872 -1.309 0.000) 1.573 6.640 ( -5.035 0.586 0.000) 5.069 6.640 ( 5.035 0.586 0.000) 5.069 6.983 ( -11.855 -9.264 0.000) 15.046 6.983 ( 11.855 -9.264 0.000) 15.046 7.543 ( -0.787 2.652 0.000) 2.767 7.543 ( 0.787 2.652 0.000) 2.767 7.716 ( -2.722 -3.784 0.000) 4.662 7.716 ( 2.722 -3.784 0.000) 4.662 7.868 ( -5.186 8.807 0.000) 10.221 7.868 ( 5.186 8.807 0.000) 10.221 7.912 ( -9.974 6.606 0.000) 11.964 7.912 ( 9.974 6.606 0.000) 11.964 8.246 ( -3.054 0.732 0.000) 3.141 8.246 ( 3.054 0.732 0.000) 3.141 8.389 ( -1.437 -0.891 0.000) 1.690 8.389 ( 1.437 -0.891 0.000) 1.690 8.644 ( -4.414 27.885 0.000) 28.232 8.644 ( 4.414 27.885 0.000) 28.232 9.088 ( -5.746 0.469 0.000) 5.765 9.088 ( 5.746 0.469 0.000) 5.765 9.213 ( -2.560 3.424 0.000) 4.275 9.213 ( 2.560 3.424 0.000) 4.275 9.350 ( -19.202 5.943 0.000) 20.101 9.350 ( 19.202 5.943 0.000) 20.101 9.844 ( -2.849 4.241 0.000) 5.109 9.844 ( 2.849 4.241 0.000) 5.109 10.465 ( -3.342 25.257 0.000) 25.477 10.465 ( 3.342 25.257 0.000) 25.477 10.527 ( -7.236 -8.928 0.000) 11.492 10.527 ( 7.236 -8.928 0.000) 11.492 10.767 ( -21.292 17.693 0.000) 27.684 10.767 ( 21.292 17.693 0.000) 27.684 11.062 ( -23.425 8.016 0.000) 24.759 11.062 ( 23.425 8.016 0.000) 24.759 11.330 ( -5.152 5.953 0.000) 7.873 11.330 ( 5.152 5.953 0.000) 7.873 11.567 ( -2.460 16.197 0.000) 16.383 11.567 ( 2.460 16.197 0.000) 16.383 11.827 ( -3.052 7.238 0.000) 7.855 11.827 ( 3.052 7.238 0.000) 7.855 12.429 ( -1.016 -6.525 0.000) 6.603 12.429 ( 1.016 -6.525 0.000) 6.603 12.589 ( -6.215 6.763 0.000) 9.185 12.589 ( 6.215 6.763 0.000) 9.185 12.930 ( -0.031 -16.050 0.000) 16.050 12.930 ( 0.031 -16.050 0.000) 16.050 13.309 ( -5.637 -6.846 0.000) 8.868 13.309 ( 5.637 -6.846 0.000) 8.868 14.037 ( -3.701 10.075 0.000) 10.733 14.037 ( 3.701 10.075 0.000) 10.733 14.513 ( -5.324 6.579 0.000) 8.464 14.513 ( 5.324 6.579 0.000) 8.464 14.908 ( -2.975 -4.225 0.000) 5.167 14.908 ( 2.975 -4.225 0.000) 5.167 15.687 ( -0.450 -16.381 0.000) 16.387 15.687 ( 0.450 -16.381 0.000) 16.387 16.465 ( -5.760 4.584 0.000) 7.361 16.465 ( 5.760 4.584 0.000) 7.361 16.769 ( -0.484 4.208 0.000) 4.236 16.769 ( 0.484 4.208 0.000) 4.236 17.137 ( -11.142 -12.406 0.000) 16.675 17.137 ( 11.142 -12.406 0.000) 16.675 17.300 ( -5.881 -10.255 0.000) 11.821 17.300 ( 5.881 -10.255 0.000) 11.821 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.000 13.077 0.000) 13.077 1.987 ( 0.000 -1.226 0.000) 1.226 2.020 ( 0.000 12.148 0.000) 12.148 2.144 ( 0.000 -2.517 0.000) 2.517 2.262 ( 0.000 4.132 0.000) 4.132 2.386 ( 0.000 -6.970 0.000) 6.970 2.558 ( 0.000 3.782 0.000) 3.782 2.559 ( 0.000 6.365 0.000) 6.365 2.608 ( 0.000 -0.416 0.000) 0.416 2.705 ( 0.000 4.841 0.000) 4.841 2.773 ( 0.000 -13.017 0.000) 13.017 2.842 ( 0.000 -6.963 0.000) 6.963 3.253 ( 0.000 5.723 0.000) 5.723 3.335 ( 0.000 -2.208 0.000) 2.208 3.386 ( 0.000 -8.399 0.000) 8.399 3.403 ( 0.000 -10.944 0.000) 10.944 3.748 ( 0.000 4.777 0.000) 4.777 3.828 ( 0.000 -2.887 0.000) 2.887 4.083 ( 0.000 10.943 0.000) 10.943 4.158 ( 0.000 5.015 0.000) 5.015 4.280 ( 0.000 8.792 0.000) 8.792 4.416 ( 0.000 -5.936 0.000) 5.936 4.487 ( 0.000 2.047 0.000) 2.047 4.554 ( 0.000 -0.905 0.000) 0.905 4.621 ( 0.000 -2.751 0.000) 2.751 4.627 ( 0.000 -10.712 0.000) 10.712 4.806 ( 0.000 4.471 0.000) 4.471 4.934 ( 0.000 24.720 0.000) 24.720 4.960 ( 0.000 -8.311 0.000) 8.311 4.979 ( 0.000 3.631 0.000) 3.631 5.033 ( 0.000 -2.412 0.000) 2.412 5.235 ( 0.000 -8.447 0.000) 8.447 5.431 ( 0.000 8.296 0.000) 8.296 5.454 ( 0.000 6.908 0.000) 6.908 5.490 ( 0.000 17.755 0.000) 17.755 5.689 ( 0.000 1.650 0.000) 1.650 5.905 ( 0.000 -0.224 0.000) 0.224 5.955 ( 0.000 -5.340 0.000) 5.340 6.026 ( 0.000 7.736 0.000) 7.736 6.180 ( 0.000 -8.364 0.000) 8.364 6.248 ( 0.000 5.372 0.000) 5.372 6.318 ( 0.000 -0.331 0.000) 0.331 6.516 ( 0.000 8.353 0.000) 8.353 6.612 ( 0.000 9.340 0.000) 9.340 6.642 ( 0.000 0.672 0.000) 0.672 6.712 ( 0.000 -2.035 0.000) 2.035 6.859 ( 0.000 2.757 0.000) 2.757 6.960 ( 0.000 -12.748 0.000) 12.748 7.509 ( 0.000 -2.497 0.000) 2.497 7.538 ( 0.000 -5.121 0.000) 5.121 7.695 ( 0.000 -0.919 0.000) 0.919 7.706 ( 0.000 -2.144 0.000) 2.144 7.814 ( 0.000 14.203 0.000) 14.203 8.012 ( 0.000 4.093 0.000) 4.093 8.039 ( 0.000 -8.576 0.000) 8.576 8.092 ( 0.000 -3.758 0.000) 3.758 8.188 ( 0.000 5.726 0.000) 5.726 8.268 ( 0.000 -2.022 0.000) 2.022 8.505 ( 0.000 7.987 0.000) 7.987 8.620 ( 0.000 -4.010 0.000) 4.010 8.794 ( 0.000 7.783 0.000) 7.783 8.817 ( 0.000 2.029 0.000) 2.029 8.844 ( 0.000 -0.385 0.000) 0.385 8.950 ( 0.000 -8.245 0.000) 8.245 9.112 ( 0.000 16.409 0.000) 16.409 9.359 ( 0.000 -6.537 0.000) 6.537 9.404 ( 0.000 22.982 0.000) 22.982 9.767 ( 0.000 -13.602 0.000) 13.602 9.788 ( 0.000 3.166 0.000) 3.166 9.933 ( 0.000 -8.631 0.000) 8.631 10.147 ( 0.000 11.964 0.000) 11.964 10.335 ( 0.000 14.828 0.000) 14.828 10.344 ( 0.000 -6.489 0.000) 6.489 10.450 ( 0.000 2.842 0.000) 2.842 11.209 ( 0.000 11.171 0.000) 11.171 11.219 ( 0.000 21.420 0.000) 21.420 11.291 ( 0.000 6.896 0.000) 6.896 11.367 ( 0.000 4.792 0.000) 4.792 11.516 ( 0.000 4.939 0.000) 4.939 11.710 ( 0.000 -3.909 0.000) 3.909 11.850 ( 0.000 9.207 0.000) 9.207 12.102 ( 0.000 10.894 0.000) 10.894 12.137 ( 0.000 -18.855 0.000) 18.855 12.170 ( 0.000 20.886 0.000) 20.886 12.176 ( 0.000 1.364 0.000) 1.364 12.287 ( 0.000 0.328 0.000) 0.328 12.522 ( 0.000 9.494 0.000) 9.494 12.576 ( 0.000 -5.046 0.000) 5.046 12.587 ( 0.000 -20.056 0.000) 20.056 12.962 ( 0.000 -15.225 0.000) 15.225 12.963 ( 0.000 11.598 0.000) 11.598 13.205 ( 0.000 -12.951 0.000) 12.951 14.294 ( 0.000 5.770 0.000) 5.770 14.451 ( 0.000 21.632 0.000) 21.632 14.454 ( 0.000 -10.745 0.000) 10.745 14.524 ( 0.000 6.911 0.000) 6.911 14.835 ( 0.000 -2.962 0.000) 2.962 15.140 ( 0.000 -26.072 0.000) 26.072 15.185 ( 0.000 18.060 0.000) 18.060 15.454 ( 0.000 -7.700 0.000) 7.700 16.258 ( 0.000 -2.315 0.000) 2.315 16.383 ( 0.000 -13.648 0.000) 13.648 16.754 ( 0.000 15.879 0.000) 15.879 16.933 ( 0.000 -1.561 0.000) 1.561 16.945 ( 0.000 -2.396 0.000) 2.396 17.060 ( 0.000 -12.479 0.000) 12.479 17.171 ( 0.000 3.852 0.000) 3.852 17.308 ( 0.000 -7.447 0.000) 7.447 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 8.071 6.596 0.000) 10.423 2.010 ( 1.752 0.886 0.000) 1.963 2.028 ( 0.597 9.429 0.000) 9.448 2.131 ( -1.136 -2.527 0.000) 2.771 2.260 ( 1.105 5.795 0.000) 5.899 2.405 ( 2.688 -7.568 0.000) 8.031 2.524 ( -5.017 4.730 0.000) 6.895 2.597 ( -1.494 -1.191 0.000) 1.911 2.623 ( 4.672 6.644 0.000) 8.122 2.706 ( 0.285 3.802 0.000) 3.813 2.810 ( 2.768 -10.356 0.000) 10.720 2.814 ( -1.157 -4.552 0.000) 4.697 3.274 ( 1.478 5.624 0.000) 5.815 3.300 ( -2.625 -0.626 0.000) 2.699 3.376 ( -1.337 -4.295 0.000) 4.498 3.399 ( -0.235 -11.150 0.000) 11.152 3.725 ( 1.803 1.926 0.000) 2.639 3.821 ( -1.334 -7.029 0.000) 7.154 4.016 ( -8.300 7.270 0.000) 11.033 4.070 ( -7.133 3.386 0.000) 7.896 4.280 ( -0.594 8.451 0.000) 8.472 4.392 ( 1.493 -3.119 0.000) 3.458 4.401 ( -9.476 2.553 0.000) 9.814 4.532 ( -5.506 -8.317 0.000) 9.974 4.614 ( 7.735 1.177 0.000) 7.824 4.689 ( 5.801 -7.543 0.000) 9.515 4.802 ( -0.820 9.266 0.000) 9.302 4.926 ( -2.724 -2.918 0.000) 3.992 4.993 ( 5.618 22.319 0.000) 23.016 5.095 ( 5.748 1.876 0.000) 6.046 5.147 ( 9.092 -3.346 0.000) 9.688 5.264 ( 2.329 -7.401 0.000) 7.758 5.371 ( -2.848 18.931 0.000) 19.144 5.454 ( -3.568 17.087 0.000) 17.456 5.596 ( 7.307 -2.507 0.000) 7.725 5.656 ( -2.686 0.647 0.000) 2.762 5.789 ( -6.166 3.452 0.000) 7.067 5.962 ( -5.792 8.155 0.000) 10.003 5.971 ( 2.334 -11.424 0.000) 11.660 6.171 ( -1.554 -12.299 0.000) 12.397 6.296 ( 5.602 10.351 0.000) 11.770 6.447 ( 7.494 -2.785 0.000) 7.995 6.468 ( -3.512 9.897 0.000) 10.502 6.599 ( -1.013 6.406 0.000) 6.485 6.615 ( -2.684 0.439 0.000) 2.720 6.709 ( 0.738 -2.669 0.000) 2.770 6.761 ( -7.920 2.349 0.000) 8.261 6.907 ( -4.802 -11.236 0.000) 12.219 7.544 ( 1.445 -2.081 0.000) 2.533 7.555 ( 3.224 -3.244 0.000) 4.574 7.661 ( -3.267 1.399 0.000) 3.554 7.692 ( -1.444 -2.121 0.000) 2.566 7.883 ( 7.004 12.296 0.000) 14.151 7.982 ( -1.155 4.560 0.000) 4.704 8.036 ( -1.185 -0.883 0.000) 1.478 8.081 ( -0.976 -5.167 0.000) 5.258 8.202 ( 2.759 -0.541 0.000) 2.812 8.246 ( -1.751 -3.264 0.000) 3.704 8.442 ( -7.713 4.847 0.000) 9.109 8.496 ( -9.335 -0.217 0.000) 9.338 8.878 ( 5.616 4.335 0.000) 7.094 8.922 ( 6.382 -1.491 0.000) 6.554 9.010 ( 16.878 6.738 0.000) 18.173 9.085 ( 2.816 11.041 0.000) 11.394 9.130 ( 7.685 -1.736 0.000) 7.879 9.273 ( -3.761 -4.182 0.000) 5.624 9.404 ( -0.273 20.225 0.000) 20.226 9.714 ( -6.050 -10.472 0.000) 12.094 9.820 ( 3.527 6.336 0.000) 7.251 10.026 ( 8.302 -12.865 0.000) 15.311 10.173 ( -12.183 16.676 0.000) 20.652 10.418 ( 22.721 7.893 0.000) 24.053 10.436 ( -4.543 -7.779 0.000) 9.009 10.522 ( 17.065 -1.544 0.000) 17.135 11.090 ( -7.576 18.413 0.000) 19.911 11.214 ( 0.122 21.839 0.000) 21.839 11.341 ( -0.536 -2.855 0.000) 2.905 11.390 ( 2.059 3.555 0.000) 4.108 11.421 ( -9.799 11.608 0.000) 15.191 11.673 ( -7.071 -4.889 0.000) 8.596 11.858 ( 0.858 7.434 0.000) 7.484 11.895 ( -11.159 16.264 0.000) 19.724 12.020 ( -7.061 1.896 0.000) 7.312 12.074 ( -12.311 -0.772 0.000) 12.335 12.245 ( 3.172 1.767 0.000) 3.631 12.247 ( 2.920 3.912 0.000) 4.882 12.549 ( 0.795 -17.956 0.000) 17.974 12.581 ( -0.525 -20.130 0.000) 20.137 12.675 ( 6.913 14.282 0.000) 15.868 12.918 ( -4.179 12.349 0.000) 13.037 13.008 ( 3.793 -14.869 0.000) 15.345 13.173 ( -2.968 -13.344 0.000) 13.670 14.285 ( 0.018 10.006 0.000) 10.006 14.387 ( -4.113 18.649 0.000) 19.097 14.492 ( 2.958 -10.104 0.000) 10.528 14.562 ( 1.247 3.154 0.000) 3.392 14.856 ( 2.637 2.413 0.000) 3.574 15.094 ( -6.998 16.632 0.000) 18.044 15.187 ( 4.377 -24.475 0.000) 24.863 15.420 ( -4.200 -14.899 0.000) 15.480 16.357 ( 10.938 5.636 0.000) 12.305 16.564 ( 13.890 -13.913 0.000) 19.660 16.743 ( -1.709 14.419 0.000) 14.520 16.902 ( -0.712 3.277 0.000) 3.353 17.007 ( 3.808 -7.108 0.000) 8.064 17.032 ( -3.170 -9.989 0.000) 10.480 17.065 ( -9.512 3.377 0.000) 10.094 17.232 ( -6.713 -8.879 0.000) 11.131 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -0.363 4.744 0.000) 4.758 2.033 ( 0.363 4.744 0.000) 4.758 2.096 ( -2.856 -2.062 0.000) 3.523 2.096 ( 2.856 -2.062 0.000) 3.523 2.365 ( -8.700 7.625 0.000) 11.569 2.365 ( 8.700 7.625 0.000) 11.569 2.508 ( -6.505 -7.031 0.000) 9.579 2.508 ( 6.505 -7.031 0.000) 9.579 2.692 ( -1.717 6.920 0.000) 7.130 2.692 ( 1.717 6.920 0.000) 7.130 2.836 ( -1.134 -5.685 0.000) 5.797 2.836 ( 1.134 -5.685 0.000) 5.797 3.270 ( -0.487 3.711 0.000) 3.743 3.270 ( 0.487 3.711 0.000) 3.743 3.384 ( -1.629 -5.272 0.000) 5.518 3.384 ( 1.629 -5.272 0.000) 5.518 3.837 ( -5.603 -0.978 0.000) 5.688 3.837 ( 5.603 -0.978 0.000) 5.688 3.874 ( -10.580 -3.752 0.000) 11.225 3.874 ( 10.580 -3.752 0.000) 11.225 4.286 ( -2.003 8.644 0.000) 8.873 4.286 ( 2.003 8.644 0.000) 8.873 4.448 ( -3.323 -6.878 0.000) 7.639 4.448 ( 3.323 -6.878 0.000) 7.639 4.746 ( -4.736 6.748 0.000) 8.244 4.746 ( 4.736 6.748 0.000) 8.244 4.828 ( -6.681 -3.705 0.000) 7.639 4.828 ( 6.681 -3.705 0.000) 7.639 5.126 ( -5.061 12.196 0.000) 13.204 5.126 ( 5.061 12.196 0.000) 13.204 5.279 ( -2.506 -4.629 0.000) 5.263 5.279 ( 2.506 -4.629 0.000) 5.263 5.360 ( -4.071 19.565 0.000) 19.984 5.360 ( 4.071 19.565 0.000) 19.984 5.624 ( -0.816 -3.864 0.000) 3.949 5.624 ( 0.816 -3.864 0.000) 3.949 5.822 ( -6.984 8.059 0.000) 10.664 5.822 ( 6.984 8.059 0.000) 10.664 6.084 ( -6.760 -16.329 0.000) 17.673 6.084 ( 6.760 -16.329 0.000) 17.673 6.405 ( -3.554 10.675 0.000) 11.251 6.405 ( 3.554 10.675 0.000) 11.251 6.549 ( -3.442 3.538 0.000) 4.936 6.549 ( 3.442 3.538 0.000) 4.936 6.617 ( -4.347 2.287 0.000) 4.911 6.617 ( 4.347 2.287 0.000) 4.911 6.786 ( -6.214 -9.450 0.000) 11.310 6.786 ( 6.214 -9.450 0.000) 11.310 7.585 ( -3.242 2.119 0.000) 3.873 7.585 ( 3.242 2.119 0.000) 3.873 7.638 ( -3.883 -3.519 0.000) 5.240 7.638 ( 3.883 -3.519 0.000) 5.240 7.991 ( -1.908 5.117 0.000) 5.461 7.991 ( 1.908 5.117 0.000) 5.461 8.047 ( -5.066 1.873 0.000) 5.401 8.047 ( 5.066 1.873 0.000) 5.401 8.247 ( -5.642 2.286 0.000) 6.088 8.247 ( 5.642 2.286 0.000) 6.088 8.325 ( -7.908 -3.832 0.000) 8.788 8.325 ( 7.908 -3.832 0.000) 8.788 9.001 ( -5.332 6.546 0.000) 8.443 9.001 ( 5.332 6.546 0.000) 8.443 9.066 ( -7.187 -2.088 0.000) 7.484 9.066 ( 7.187 -2.088 0.000) 7.484 9.366 ( -4.580 10.380 0.000) 11.346 9.366 ( 4.580 10.380 0.000) 11.346 9.465 ( -18.812 2.094 0.000) 18.928 9.465 ( 18.812 2.094 0.000) 18.928 9.942 ( -8.840 10.526 0.000) 13.746 9.942 ( 8.840 10.526 0.000) 13.746 10.250 ( -12.180 -17.209 0.000) 21.083 10.250 ( 12.180 -17.209 0.000) 21.083 10.874 ( -17.032 13.046 0.000) 21.454 10.874 ( 17.032 13.046 0.000) 21.454 10.995 ( -26.300 0.712 0.000) 26.310 10.995 ( 26.300 0.712 0.000) 26.310 11.276 ( -7.296 17.170 0.000) 18.656 11.276 ( 7.296 17.170 0.000) 18.656 11.455 ( -5.616 2.552 0.000) 6.169 11.455 ( 5.616 2.552 0.000) 6.169 11.884 ( -4.987 8.712 0.000) 10.038 11.884 ( 4.987 8.712 0.000) 10.038 11.902 ( -3.915 1.447 0.000) 4.174 11.902 ( 3.915 1.447 0.000) 4.174 12.280 ( -0.060 0.770 0.000) 0.772 12.280 ( 0.060 0.770 0.000) 0.772 12.568 ( -0.831 -19.821 0.000) 19.838 12.568 ( 0.831 -19.821 0.000) 19.838 12.808 ( -6.182 13.731 0.000) 15.059 12.808 ( 6.182 13.731 0.000) 15.059 13.095 ( -4.373 -14.181 0.000) 14.840 13.095 ( 4.373 -14.181 0.000) 14.840 14.314 ( -2.769 15.676 0.000) 15.919 14.314 ( 2.769 15.676 0.000) 15.919 14.549 ( -2.199 -6.270 0.000) 6.644 14.549 ( 2.199 -6.270 0.000) 6.644 14.952 ( -6.360 11.822 0.000) 13.424 14.952 ( 6.360 11.822 0.000) 13.424 15.302 ( -6.428 -21.131 0.000) 22.087 15.302 ( 6.428 -21.131 0.000) 22.087 16.622 ( -11.566 10.838 0.000) 15.850 16.622 ( 11.566 10.838 0.000) 15.850 16.845 ( -11.992 -6.609 0.000) 13.693 16.845 ( 11.992 -6.609 0.000) 13.693 16.930 ( -4.506 1.589 0.000) 4.778 16.930 ( 4.506 1.589 0.000) 4.778 17.096 ( -5.334 -10.302 0.000) 11.601 17.096 ( 5.334 -10.302 0.000) 11.601 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 0.000 28.961) 28.961 0.748 ( 0.000 0.000 35.547) 35.547 1.172 ( 0.000 0.000 55.873) 55.873 1.872 ( 0.000 0.000 7.358) 7.358 2.011 ( 0.000 0.000 7.693) 7.693 2.121 ( 0.000 0.000 5.318) 5.318 2.260 ( 0.000 0.000 1.345) 1.345 2.328 ( 0.000 0.000 3.460) 3.460 2.642 ( 0.000 0.000 -9.951) 9.951 2.665 ( 0.000 0.000 -7.113) 7.113 2.907 ( 0.000 0.000 0.570) 0.570 2.961 ( 0.000 0.000 -1.657) 1.657 2.964 ( 0.000 0.000 2.390) 2.390 3.065 ( 0.000 0.000 -1.571) 1.571 3.247 ( 0.000 0.000 -0.586) 0.586 3.261 ( 0.000 0.000 -1.341) 1.341 3.372 ( 0.000 0.000 -3.750) 3.750 3.513 ( 0.000 0.000 -1.437) 1.437 3.523 ( 0.000 0.000 -0.304) 0.304 3.526 ( 0.000 0.000 -2.634) 2.634 3.801 ( 0.000 0.000 2.648) 2.648 3.816 ( 0.000 0.000 -9.791) 9.791 3.907 ( 0.000 0.000 9.760) 9.760 4.186 ( 0.000 0.000 -1.269) 1.269 4.313 ( 0.000 0.000 -6.554) 6.554 4.536 ( 0.000 0.000 9.476) 9.476 4.835 ( 0.000 0.000 -2.294) 2.294 4.935 ( 0.000 0.000 -11.505) 11.505 5.003 ( 0.000 0.000 -7.636) 7.636 5.014 ( 0.000 0.000 -3.617) 3.617 5.032 ( 0.000 0.000 5.145) 5.145 5.123 ( 0.000 0.000 -4.368) 4.368 5.136 ( 0.000 0.000 1.548) 1.548 5.156 ( 0.000 0.000 -6.896) 6.896 5.282 ( 0.000 0.000 7.361) 7.361 5.295 ( 0.000 0.000 4.700) 4.700 5.504 ( 0.000 0.000 -2.973) 2.973 5.649 ( 0.000 0.000 3.329) 3.329 5.673 ( 0.000 0.000 -0.029) 0.029 5.910 ( 0.000 0.000 7.078) 7.078 6.015 ( 0.000 0.000 -12.482) 12.482 6.132 ( 0.000 0.000 5.685) 5.685 6.146 ( 0.000 0.000 7.158) 7.158 6.243 ( 0.000 0.000 -6.424) 6.424 6.494 ( 0.000 0.000 2.173) 2.173 6.498 ( 0.000 0.000 9.810) 9.810 6.660 ( 0.000 0.000 1.887) 1.887 6.661 ( 0.000 0.000 -3.580) 3.580 6.672 ( 0.000 0.000 14.095) 14.095 6.700 ( 0.000 0.000 7.187) 7.187 6.889 ( 0.000 0.000 5.926) 5.926 7.694 ( 0.000 0.000 -1.316) 1.316 7.841 ( 0.000 0.000 -8.172) 8.172 7.937 ( 0.000 0.000 -4.078) 4.078 7.949 ( 0.000 0.000 -4.892) 4.892 8.010 ( 0.000 0.000 -8.462) 8.462 8.171 ( 0.000 0.000 -6.673) 6.673 8.223 ( 0.000 0.000 0.480) 0.480 8.281 ( 0.000 0.000 1.565) 1.565 8.368 ( 0.000 0.000 5.566) 5.566 8.397 ( 0.000 0.000 -9.386) 9.386 8.489 ( 0.000 0.000 6.059) 6.059 8.540 ( 0.000 0.000 -1.248) 1.248 8.577 ( 0.000 0.000 3.817) 3.817 8.586 ( 0.000 0.000 -2.486) 2.486 8.763 ( 0.000 0.000 5.823) 5.823 9.015 ( 0.000 0.000 -1.688) 1.688 9.045 ( 0.000 0.000 -0.169) 0.169 9.362 ( 0.000 0.000 -11.035) 11.035 9.773 ( 0.000 0.000 -3.101) 3.101 10.056 ( 0.000 0.000 -11.748) 11.748 10.130 ( 0.000 0.000 -7.167) 7.167 10.158 ( 0.000 0.000 4.007) 4.007 10.327 ( 0.000 0.000 6.801) 6.801 10.365 ( 0.000 0.000 0.245) 0.245 10.374 ( 0.000 0.000 -5.511) 5.511 10.456 ( 0.000 0.000 8.181) 8.181 10.492 ( 0.000 0.000 1.614) 1.614 11.055 ( 0.000 0.000 -1.002) 1.002 11.156 ( 0.000 0.000 -1.253) 1.253 11.230 ( 0.000 0.000 -1.224) 1.224 11.266 ( 0.000 0.000 -4.274) 4.274 11.315 ( 0.000 0.000 -7.738) 7.738 11.416 ( 0.000 0.000 -19.342) 19.342 12.326 ( 0.000 0.000 15.126) 15.126 12.541 ( 0.000 0.000 9.537) 9.537 12.730 ( 0.000 0.000 -0.682) 0.682 12.776 ( 0.000 0.000 -1.063) 1.063 12.842 ( 0.000 0.000 13.150) 13.150 13.307 ( 0.000 0.000 0.311) 0.311 13.390 ( 0.000 0.000 2.430) 2.430 13.686 ( 0.000 0.000 2.830) 2.830 13.712 ( 0.000 0.000 2.137) 2.137 14.020 ( 0.000 0.000 -1.402) 1.402 14.208 ( 0.000 0.000 -3.112) 3.112 14.803 ( 0.000 0.000 6.211) 6.211 14.832 ( 0.000 0.000 -3.421) 3.421 15.365 ( 0.000 0.000 -28.643) 28.643 15.365 ( 0.000 0.000 0.384) 0.384 15.894 ( 0.000 0.000 2.604) 2.604 16.304 ( 0.000 0.000 -3.862) 3.862 16.364 ( 0.000 0.000 7.620) 7.620 16.848 ( 0.000 0.000 9.298) 9.298 17.321 ( 0.000 0.000 -2.644) 2.644 17.373 ( 0.000 0.000 -1.864) 1.864 17.716 ( 0.000 0.000 6.834) 6.834 17.730 ( 0.000 0.000 -2.890) 2.890 17.945 ( 0.000 0.000 5.502) 5.502 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 15.676 0.000 21.368) 26.502 0.859 ( 21.628 0.000 19.915) 29.400 1.564 ( -19.677 0.000 9.289) 21.759 1.739 ( 30.893 0.000 32.612) 44.921 1.886 ( -7.029 0.000 9.723) 11.998 2.255 ( 0.063 0.000 0.324) 0.330 2.330 ( 0.867 0.000 4.139) 4.229 2.388 ( 14.879 0.000 2.679) 15.118 2.673 ( 2.175 0.000 -9.952) 10.187 2.705 ( 1.942 0.000 -3.924) 4.378 2.868 ( -4.317 0.000 -0.434) 4.339 2.881 ( -2.604 0.000 1.233) 2.881 2.941 ( 0.464 0.000 -0.659) 0.806 3.078 ( -2.862 0.000 -1.499) 3.231 3.150 ( -6.580 0.000 -0.294) 6.586 3.270 ( -14.784 0.000 -7.102) 16.401 3.299 ( 3.598 0.000 -3.674) 5.142 3.343 ( 1.884 0.000 7.770) 7.995 3.457 ( -4.194 0.000 -2.761) 5.021 3.545 ( 1.499 0.000 3.516) 3.822 3.738 ( -5.384 0.000 7.894) 9.555 3.954 ( 0.464 0.000 -2.032) 2.084 3.962 ( 4.610 0.000 3.284) 5.660 4.153 ( -3.163 0.000 0.045) 3.164 4.355 ( 1.241 0.000 -6.009) 6.135 4.476 ( -19.071 0.000 21.009) 28.374 4.595 ( -3.877 0.000 2.264) 4.490 4.760 ( -7.032 0.000 -4.687) 8.451 4.954 ( -1.651 0.000 -2.684) 3.152 5.029 ( 2.311 0.000 -5.531) 5.995 5.036 ( 2.748 0.000 -6.301) 6.874 5.043 ( -1.880 0.000 1.095) 2.176 5.132 ( -0.879 0.000 -5.170) 5.244 5.143 ( -3.339 0.000 -4.531) 5.629 5.202 ( 5.634 0.000 -7.259) 9.189 5.459 ( -4.127 0.000 -7.331) 8.413 5.532 ( 9.345 0.000 -2.658) 9.715 5.730 ( 5.070 0.000 2.085) 5.482 5.874 ( -4.125 0.000 -3.468) 5.389 5.960 ( -0.855 0.000 2.704) 2.836 6.025 ( -8.296 0.000 1.400) 8.414 6.089 ( -0.169 0.000 5.535) 5.538 6.210 ( 27.621 0.000 7.501) 28.622 6.292 ( 3.929 0.000 2.481) 4.647 6.452 ( -2.685 0.000 11.699) 12.003 6.574 ( 6.673 0.000 -2.454) 7.110 6.668 ( 5.267 0.000 3.801) 6.495 6.740 ( 2.670 0.000 -6.777) 7.284 6.802 ( 9.493 0.000 -0.353) 9.499 6.893 ( 11.607 0.000 11.576) 16.393 6.912 ( -0.794 0.000 0.244) 0.830 7.642 ( -21.152 0.000 -0.793) 21.167 7.676 ( -2.055 0.000 -3.565) 4.115 7.827 ( -8.466 0.000 -5.230) 9.951 7.858 ( 2.123 0.000 -4.546) 5.017 7.956 ( -13.096 0.000 -1.723) 13.209 7.990 ( -2.786 0.000 -1.673) 3.249 8.055 ( -10.027 0.000 2.790) 10.408 8.189 ( -5.640 0.000 1.827) 5.928 8.353 ( -4.849 0.000 -2.708) 5.554 8.500 ( 6.590 0.000 -6.289) 9.109 8.548 ( 6.932 0.000 2.099) 7.242 8.605 ( 1.565 0.000 -2.076) 2.600 8.682 ( 15.522 0.000 -2.549) 15.730 8.813 ( 9.770 0.000 0.662) 9.793 8.937 ( -4.492 0.000 -0.092) 4.493 9.019 ( 12.781 0.000 0.460) 12.790 9.071 ( 2.136 0.000 -3.292) 3.924 9.336 ( -3.005 0.000 -8.725) 9.228 9.482 ( -15.421 0.000 6.168) 16.608 9.892 ( -4.359 0.000 -5.250) 6.823 9.907 ( -8.888 0.000 -0.318) 8.894 10.062 ( -14.279 0.000 8.235) 16.484 10.225 ( -10.430 0.000 0.299) 10.435 10.419 ( 12.281 0.000 -3.042) 12.652 10.591 ( 10.974 0.000 -4.525) 11.871 10.621 ( 5.709 0.000 4.845) 7.488 10.664 ( 15.713 0.000 -5.706) 16.717 11.066 ( 1.068 0.000 -1.076) 1.516 11.138 ( -1.735 0.000 -1.237) 2.131 11.142 ( -11.449 0.000 -6.088) 12.967 11.225 ( 0.194 0.000 -2.343) 2.351 11.266 ( -0.419 0.000 -2.639) 2.672 11.348 ( -8.715 0.000 -15.528) 17.807 12.438 ( 4.707 0.000 15.920) 16.601 12.561 ( 0.498 0.000 10.793) 10.805 12.717 ( -0.520 0.000 -0.570) 0.772 12.764 ( -1.358 0.000 0.578) 1.475 13.127 ( 13.750 0.000 -7.357) 15.594 13.312 ( 0.154 0.000 -0.343) 0.376 13.412 ( 2.376 0.000 2.285) 3.296 13.600 ( -6.289 0.000 2.965) 6.953 13.769 ( 5.030 0.000 1.081) 5.145 13.984 ( -3.457 0.000 -1.195) 3.657 14.326 ( 9.596 0.000 2.383) 9.888 14.733 ( -7.183 0.000 6.140) 9.450 14.824 ( 2.174 0.000 -6.319) 6.683 15.127 ( -11.166 0.000 -16.011) 19.520 15.581 ( 9.159 0.000 -10.850) 14.199 15.830 ( -3.948 0.000 -2.576) 4.714 16.422 ( 5.166 0.000 5.187) 7.321 16.494 ( 7.840 0.000 -7.962) 11.174 16.889 ( 4.058 0.000 8.946) 9.823 17.207 ( -9.307 0.000 2.099) 9.540 17.441 ( 3.404 0.000 -3.910) 5.184 17.533 ( -6.507 0.000 4.362) 7.834 17.799 ( 1.676 0.000 5.630) 5.874 17.883 ( -3.263 0.000 9.604) 10.143 ======================= Grid point 47 (18/60) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -19.796 0.000 13.415) 23.913 1.157 ( 19.796 0.000 13.415) 23.913 1.416 ( -27.476 0.000 5.943) 28.112 1.416 ( 27.476 0.000 5.943) 28.112 2.248 ( -3.180 0.000 2.654) 4.142 2.248 ( 3.180 0.000 2.654) 4.142 2.535 ( -19.638 0.000 12.065) 23.048 2.535 ( 19.638 0.000 12.065) 23.048 2.617 ( -7.619 0.000 -3.712) 8.475 2.617 ( 7.619 0.000 -3.712) 8.475 2.936 ( -9.006 0.000 -1.731) 9.171 2.936 ( 9.006 0.000 -1.731) 9.171 2.953 ( -7.930 0.000 -0.561) 7.950 2.953 ( 7.930 0.000 -0.561) 7.950 3.040 ( -6.060 0.000 -6.090) 8.591 3.040 ( 6.060 0.000 -6.090) 8.591 3.377 ( -3.756 0.000 -3.859) 5.385 3.377 ( 3.756 0.000 -3.859) 5.385 3.572 ( -21.855 0.000 14.849) 26.422 3.572 ( 21.855 0.000 14.849) 26.422 3.618 ( -5.499 0.000 7.881) 9.610 3.618 ( 5.499 0.000 7.881) 9.610 4.066 ( -5.074 0.000 1.214) 5.217 4.066 ( 5.074 0.000 1.214) 5.217 4.374 ( -5.263 0.000 -1.069) 5.370 4.374 ( 5.263 0.000 -1.069) 5.370 4.632 ( -4.578 0.000 -0.580) 4.614 4.632 ( 4.578 0.000 -0.580) 4.614 4.980 ( -3.297 0.000 0.823) 3.398 4.980 ( 3.297 0.000 0.823) 3.398 5.080 ( -2.727 0.000 -5.718) 6.336 5.080 ( 2.727 0.000 -5.718) 6.336 5.094 ( -2.578 0.000 -4.501) 5.186 5.094 ( 2.578 0.000 -4.501) 5.186 5.342 ( -7.038 0.000 -9.948) 12.186 5.342 ( 7.038 0.000 -9.948) 12.186 5.722 ( -9.084 0.000 -5.661) 10.704 5.722 ( 9.084 0.000 -5.661) 10.704 5.860 ( -7.419 0.000 2.223) 7.745 5.860 ( 7.419 0.000 2.223) 7.745 6.008 ( -4.376 0.000 8.281) 9.366 6.008 ( 4.376 0.000 8.281) 9.366 6.381 ( -4.314 0.000 9.396) 10.339 6.381 ( 4.314 0.000 9.396) 10.339 6.666 ( -5.390 0.000 -3.271) 6.305 6.666 ( 5.390 0.000 -3.271) 6.305 6.777 ( -8.553 0.000 -1.344) 8.658 6.777 ( 8.553 0.000 -1.344) 8.658 6.830 ( -7.267 0.000 -1.811) 7.489 6.830 ( 7.267 0.000 -1.811) 7.489 7.213 ( -19.822 0.000 7.550) 21.211 7.213 ( 19.822 0.000 7.550) 21.211 7.675 ( -4.189 0.000 -3.429) 5.414 7.675 ( 4.189 0.000 -3.429) 5.414 7.869 ( -5.423 0.000 0.436) 5.440 7.869 ( 5.423 0.000 0.436) 5.440 7.921 ( -3.515 0.000 -1.607) 3.865 7.921 ( 3.515 0.000 -1.607) 3.865 8.211 ( -6.390 0.000 -1.363) 6.534 8.211 ( 6.390 0.000 -1.363) 6.534 8.611 ( -2.456 0.000 -4.340) 4.987 8.611 ( 2.456 0.000 -4.340) 4.987 8.723 ( -9.352 0.000 1.550) 9.480 8.723 ( 9.352 0.000 1.550) 9.480 8.915 ( -5.532 0.000 -1.199) 5.660 8.915 ( 5.532 0.000 -1.199) 5.660 9.208 ( -9.418 0.000 -6.683) 11.549 9.208 ( 9.418 0.000 -6.683) 11.549 9.231 ( -10.324 0.000 -0.800) 10.355 9.231 ( 10.324 0.000 -0.800) 10.355 9.852 ( -4.565 0.000 4.530) 6.431 9.852 ( 4.565 0.000 4.530) 6.431 9.987 ( -11.084 0.000 -0.086) 11.085 9.987 ( 11.084 0.000 -0.086) 11.085 10.616 ( -5.905 0.000 -0.547) 5.931 10.616 ( 5.905 0.000 -0.547) 5.931 10.811 ( -9.141 0.000 -5.172) 10.503 10.811 ( 9.141 0.000 -5.172) 10.503 11.093 ( -13.182 0.000 -10.396) 16.788 11.093 ( 13.182 0.000 -10.396) 16.788 11.097 ( -1.916 0.000 -1.290) 2.310 11.097 ( 1.916 0.000 -1.290) 2.310 11.245 ( -1.438 0.000 -1.929) 2.406 11.245 ( 1.438 0.000 -1.929) 2.406 12.526 ( -3.643 0.000 13.179) 13.673 12.526 ( 3.643 0.000 13.179) 13.673 12.729 ( -1.574 0.000 0.842) 1.786 12.729 ( 1.574 0.000 0.842) 1.786 13.283 ( -3.632 0.000 -3.134) 4.797 13.283 ( 3.632 0.000 -3.134) 4.797 13.485 ( -4.602 0.000 2.628) 5.300 13.485 ( 4.602 0.000 2.628) 5.300 13.886 ( -5.782 0.000 -0.421) 5.797 13.886 ( 5.782 0.000 -0.421) 5.797 14.543 ( -10.793 0.000 6.358) 12.526 14.543 ( 10.793 0.000 6.358) 12.526 14.930 ( -7.791 0.000 -13.712) 15.771 14.930 ( 7.791 0.000 -13.712) 15.771 15.734 ( -5.896 0.000 -7.084) 9.217 15.734 ( 5.896 0.000 -7.084) 9.217 16.526 ( -3.349 0.000 -1.160) 3.544 16.526 ( 3.349 0.000 -1.160) 3.544 17.010 ( -8.129 0.000 8.676) 11.890 17.010 ( 8.129 0.000 8.676) 11.890 17.482 ( -0.909 0.000 -3.315) 3.437 17.482 ( 0.909 0.000 -3.315) 3.437 17.831 ( -1.925 0.000 9.037) 9.240 17.831 ( 1.925 0.000 9.037) 9.240 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 12.946 28.963) 31.725 1.043 ( 0.000 20.534 27.925) 34.661 1.632 ( 0.000 47.101 29.053) 55.340 2.016 ( 0.000 1.633 7.515) 7.691 2.145 ( 0.000 19.263 5.017) 19.906 2.233 ( 0.000 2.481 3.341) 4.162 2.272 ( 0.000 2.206 2.188) 3.107 2.343 ( 0.000 4.214 1.967) 4.651 2.655 ( 0.000 0.267 -5.738) 5.744 2.757 ( 0.000 3.086 -3.822) 4.913 2.862 ( 0.000 7.784 -0.968) 7.844 2.917 ( 0.000 -3.257 1.649) 3.650 3.002 ( 0.000 2.407 -1.340) 2.755 3.081 ( 0.000 -3.377 5.384) 6.355 3.191 ( 0.000 -2.835 -0.597) 2.897 3.359 ( 0.000 6.132 -6.616) 9.021 3.455 ( 0.000 15.259 -0.111) 15.259 3.502 ( 0.000 0.752 -2.119) 2.249 3.695 ( 0.000 10.695 -2.761) 11.045 3.709 ( 0.000 8.571 -5.038) 9.942 3.939 ( 0.000 19.413 -4.856) 20.011 3.965 ( 0.000 12.538 2.059) 12.706 4.102 ( 0.000 17.722 7.476) 19.234 4.269 ( 0.000 7.188 -4.042) 8.247 4.400 ( 0.000 12.248 1.723) 12.369 4.538 ( 0.000 -8.380 -0.990) 8.438 4.612 ( 0.000 -7.518 10.548) 12.954 4.851 ( 0.000 -5.796 -9.287) 10.948 4.871 ( 0.000 -4.702 -3.071) 5.616 4.956 ( 0.000 -2.711 -3.875) 4.729 5.087 ( 0.000 -3.399 3.186) 4.659 5.139 ( 0.000 -0.913 -2.306) 2.480 5.191 ( 0.000 2.314 3.705) 4.368 5.208 ( 0.000 -0.748 -5.793) 5.841 5.244 ( 0.000 -1.212 2.778) 3.030 5.424 ( 0.000 10.862 -1.840) 11.017 5.498 ( 0.000 1.967 -0.748) 2.105 5.574 ( 0.000 -4.085 -1.161) 4.247 5.658 ( 0.000 -2.092 6.677) 6.997 5.962 ( 0.000 5.737 7.966) 9.817 6.042 ( 0.000 3.707 -11.699) 12.272 6.237 ( 0.000 8.078 5.162) 9.587 6.288 ( 0.000 2.314 -3.533) 4.223 6.368 ( 0.000 12.311 1.152) 12.365 6.529 ( 0.000 5.621 1.486) 5.814 6.564 ( 0.000 13.907 11.897) 18.302 6.648 ( 0.000 -2.908 -0.344) 2.928 6.687 ( 0.000 6.437 -4.129) 7.648 6.765 ( 0.000 3.090 5.226) 6.071 7.000 ( 0.000 12.130 6.282) 13.660 7.068 ( 0.000 27.866 -4.049) 28.158 7.718 ( 0.000 1.927 -1.341) 2.348 7.766 ( 0.000 -3.627 -6.017) 7.026 7.892 ( 0.000 -7.098 -11.262) 13.312 7.924 ( 0.000 -2.028 -3.470) 4.020 8.099 ( 0.000 8.559 -6.420) 10.699 8.131 ( 0.000 -6.034 1.966) 6.347 8.224 ( 0.000 0.333 2.305) 2.329 8.308 ( 0.000 -3.045 -0.387) 3.069 8.400 ( 0.000 8.415 -3.189) 8.999 8.415 ( 0.000 1.231 -5.472) 5.609 8.552 ( 0.000 5.423 1.765) 5.703 8.580 ( 0.000 1.065 -4.251) 4.382 8.710 ( 0.000 1.819 0.673) 1.939 8.713 ( 0.000 15.689 -1.867) 15.800 8.793 ( 0.000 9.386 3.990) 10.199 9.184 ( 0.000 12.403 -0.297) 12.407 9.187 ( 0.000 16.028 -2.710) 16.255 9.356 ( 0.000 -1.020 -7.412) 7.482 9.783 ( 0.000 2.613 -1.807) 3.177 9.976 ( 0.000 -5.714 -12.573) 13.810 10.024 ( 0.000 -8.848 14.249) 16.773 10.238 ( 0.000 6.974 4.133) 8.107 10.352 ( 0.000 -0.841 0.111) 0.848 10.359 ( 0.000 0.242 -3.238) 3.247 10.406 ( 0.000 3.150 10.141) 10.619 10.435 ( 0.000 9.627 6.560) 11.649 10.626 ( 0.000 12.097 -1.020) 12.140 10.947 ( 0.000 -3.914 -3.564) 5.293 11.191 ( 0.000 3.555 -1.902) 4.032 11.260 ( 0.000 1.612 -2.437) 2.922 11.354 ( 0.000 12.106 -4.030) 12.759 11.414 ( 0.000 7.901 -8.522) 11.621 11.537 ( 0.000 10.002 -11.440) 15.196 12.425 ( 0.000 7.375 11.730) 13.856 12.511 ( 0.000 -2.810 9.342) 9.755 12.532 ( 0.000 -2.804 10.268) 10.644 12.724 ( 0.000 -1.035 0.423) 1.118 13.179 ( 0.000 3.947 -6.597) 7.688 13.287 ( 0.000 -2.256 -0.043) 2.257 13.340 ( 0.000 -4.865 1.553) 5.107 13.698 ( 0.000 -1.923 1.031) 2.182 13.708 ( 0.000 1.906 2.040) 2.792 14.055 ( 0.000 3.390 0.632) 3.448 14.214 ( 0.000 0.755 -2.650) 2.755 14.789 ( 0.000 -1.470 5.552) 5.744 14.819 ( 0.000 -1.453 -3.695) 3.970 15.317 ( 0.000 -5.047 0.387) 5.062 15.354 ( 0.000 -1.028 -27.400) 27.419 16.141 ( 0.000 15.968 -19.971) 25.570 16.227 ( 0.000 -7.933 -3.479) 8.662 16.349 ( 0.000 -1.506 5.433) 5.638 16.828 ( 0.000 -1.861 10.678) 10.839 17.250 ( 0.000 -7.384 -2.835) 7.909 17.298 ( 0.000 -7.364 -2.419) 7.751 17.595 ( 0.000 -10.830 6.646) 12.706 17.695 ( 0.000 -2.042 6.927) 7.222 17.842 ( 0.000 -6.535 9.104) 11.207 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 19.088 13.909 15.127) 28.047 1.310 ( 14.302 29.668 14.730) 36.079 1.863 ( -5.397 11.391 10.414) 16.351 1.904 ( -11.667 22.698 8.714) 26.968 1.970 ( 15.087 18.125 20.425) 31.198 2.247 ( -0.363 -0.554 0.585) 0.883 2.306 ( 2.639 -0.780 4.758) 5.496 2.489 ( 9.387 4.596 0.206) 10.453 2.692 ( 1.606 0.265 -2.986) 3.401 2.763 ( -0.805 2.685 -5.715) 6.365 2.828 ( -3.096 -4.417 0.584) 5.426 2.929 ( 4.167 11.546 -1.794) 12.405 2.989 ( -0.275 4.936 0.059) 4.944 3.103 ( -3.825 -2.422 1.140) 4.669 3.177 ( 2.184 -0.524 3.686) 4.317 3.247 ( -4.942 6.883 -0.463) 8.486 3.261 ( -12.038 0.393 -4.441) 12.836 3.551 ( 3.645 15.347 -4.244) 16.335 3.669 ( -2.251 13.308 -4.346) 14.180 3.789 ( 2.854 19.063 2.860) 19.486 3.920 ( -1.634 6.952 -0.142) 7.143 3.987 ( -5.549 18.775 7.504) 20.967 4.135 ( 2.733 12.496 3.458) 13.250 4.242 ( -2.799 6.576 -0.090) 7.148 4.357 ( -0.421 -0.162 -2.923) 2.958 4.540 ( -17.615 8.684 17.669) 26.418 4.586 ( -2.967 -2.274 -0.467) 3.767 4.611 ( -1.818 -8.786 2.891) 9.426 4.873 ( -0.442 -4.140 -3.911) 5.712 4.913 ( 3.036 -5.234 -6.170) 8.641 4.968 ( -0.503 -3.588 -1.075) 3.780 5.067 ( -5.341 -0.576 -6.191) 8.197 5.202 ( 0.273 1.452 -4.314) 4.560 5.224 ( 2.804 -1.491 -4.700) 5.672 5.277 ( -2.733 10.165 -2.147) 10.743 5.447 ( -1.898 -0.770 -7.401) 7.679 5.502 ( 10.434 -1.229 -2.688) 10.844 5.667 ( 6.262 -5.244 3.577) 8.917 5.926 ( -4.843 4.926 -2.776) 7.444 5.997 ( -1.102 2.878 2.014) 3.681 6.073 ( -0.587 1.860 2.271) 2.993 6.165 ( 9.453 2.976 -0.062) 9.911 6.223 ( 2.372 7.506 7.398) 10.803 6.408 ( 3.896 2.820 3.999) 6.254 6.519 ( -2.396 6.836 5.359) 9.010 6.598 ( 5.711 4.133 1.343) 7.176 6.726 ( 2.912 12.140 -1.563) 12.582 6.793 ( 0.319 4.981 -0.268) 4.999 6.853 ( 13.982 7.118 -0.898) 15.715 7.030 ( 7.600 12.490 7.529) 16.445 7.175 ( 4.769 21.649 -1.987) 22.257 7.663 ( -10.296 2.165 -3.752) 11.170 7.724 ( -8.595 -1.170 -7.594) 11.529 7.758 ( -4.812 -1.856 -5.887) 7.827 7.868 ( -5.517 1.775 -2.340) 6.250 7.955 ( -2.499 0.466 -1.181) 2.803 7.969 ( -10.017 -3.232 2.121) 10.737 8.063 ( -10.713 1.547 1.549) 10.935 8.251 ( -8.040 5.043 0.526) 9.506 8.346 ( -5.139 -0.029 -1.800) 5.445 8.494 ( 4.324 -0.511 -4.293) 6.115 8.543 ( 6.327 -2.615 0.003) 6.846 8.720 ( 4.874 13.701 1.166) 14.588 8.776 ( 13.177 6.841 -2.812) 15.111 8.887 ( 11.028 2.930 1.316) 11.486 9.011 ( 4.952 5.486 1.624) 7.566 9.123 ( 0.383 12.535 -5.041) 13.516 9.192 ( -1.055 10.910 -3.047) 11.376 9.310 ( -3.475 -0.451 -3.698) 5.094 9.562 ( -10.570 8.841 1.102) 13.824 9.880 ( 0.119 0.288 -4.763) 4.774 9.988 ( -9.178 7.801 2.558) 12.313 10.129 ( -11.412 4.346 5.102) 13.235 10.265 ( -5.571 5.032 1.446) 7.645 10.459 ( 11.036 3.279 -2.673) 11.819 10.588 ( 9.074 -0.804 -5.621) 10.704 10.683 ( 7.428 8.978 2.038) 11.830 10.693 ( 13.322 1.885 2.745) 13.732 10.961 ( 1.336 -3.806 -5.411) 6.749 11.185 ( -0.778 4.136 -2.337) 4.814 11.226 ( -3.051 4.077 -2.192) 5.544 11.316 ( -5.298 6.108 -7.137) 10.785 11.371 ( -1.327 11.512 -4.245) 12.341 11.450 ( -7.137 10.959 -7.630) 15.141 12.444 ( 1.842 0.346 12.099) 12.243 12.521 ( -0.350 -4.044 9.170) 10.028 12.626 ( 5.807 -2.900 5.354) 8.414 12.718 ( -0.527 -1.528 2.876) 3.300 13.216 ( 3.134 0.795 -6.063) 6.872 13.287 ( 0.153 -2.879 -0.409) 2.912 13.369 ( 2.657 -4.153 1.394) 5.123 13.595 ( -7.425 -0.680 1.477) 7.601 13.767 ( 4.671 0.566 0.626) 4.747 14.003 ( -4.537 1.887 -0.540) 4.943 14.317 ( 8.613 -0.507 2.813) 9.075 14.706 ( -7.286 -2.506 6.155) 9.862 14.840 ( 2.408 0.560 -6.543) 6.995 15.110 ( -10.173 -1.893 -13.770) 17.225 15.559 ( 10.079 -2.054 -11.731) 15.602 15.920 ( -9.809 6.180 -8.880) 14.604 16.393 ( 4.388 -3.180 3.088) 6.237 16.432 ( 6.320 -5.421 -9.326) 12.502 16.866 ( 3.690 -2.013 10.507) 11.316 17.156 ( -7.666 -4.756 1.736) 9.187 17.362 ( 3.316 -8.210 -3.604) 9.559 17.466 ( -5.219 -5.664 5.109) 9.242 17.748 ( 1.942 -4.462 7.639) 9.057 17.820 ( -1.777 -5.407 9.264) 10.873 ======================= Grid point 52 (21/60) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -24.132 8.431 5.530) 26.153 1.495 ( 24.132 8.431 5.530) 26.153 1.597 ( -13.890 31.004 8.837) 35.104 1.597 ( 13.890 31.004 8.837) 35.104 2.235 ( -2.082 -0.546 2.029) 2.959 2.235 ( 2.082 -0.546 2.029) 2.959 2.546 ( -15.904 3.380 9.230) 18.696 2.546 ( 15.904 3.380 9.230) 18.696 2.656 ( -6.403 1.189 -3.300) 7.301 2.656 ( 6.403 1.189 -3.300) 7.301 2.938 ( -9.530 -1.552 -0.079) 9.656 2.938 ( 9.530 -1.552 -0.079) 9.656 3.023 ( -6.822 2.429 -5.285) 8.965 3.023 ( 6.822 2.429 -5.285) 8.965 3.088 ( -7.852 13.041 -1.113) 15.262 3.088 ( 7.852 13.041 -1.113) 15.262 3.492 ( -18.415 0.699 9.837) 20.890 3.492 ( 18.415 0.699 9.837) 20.890 3.655 ( -6.664 14.519 0.352) 15.979 3.655 ( 6.664 14.519 0.352) 15.979 3.866 ( -5.160 21.810 6.314) 23.285 3.866 ( 5.160 21.810 6.314) 23.285 4.199 ( -6.983 10.264 4.168) 13.095 4.199 ( 6.983 10.264 4.168) 13.095 4.371 ( -2.735 1.473 -2.303) 3.867 4.371 ( 2.735 1.473 -2.303) 3.867 4.585 ( -1.477 -3.393 1.646) 4.050 4.585 ( 1.477 -3.393 1.646) 4.050 4.912 ( -3.513 -5.175 -2.042) 6.580 4.912 ( 3.513 -5.175 -2.042) 6.580 4.988 ( -3.646 -1.543 -5.087) 6.446 4.988 ( 3.646 -1.543 -5.087) 6.446 5.221 ( -2.035 4.384 -3.649) 6.056 5.221 ( 2.035 4.384 -3.649) 6.056 5.338 ( -6.954 -0.806 -6.423) 9.500 5.338 ( 6.954 -0.806 -6.423) 9.500 5.730 ( -9.744 1.092 -4.854) 10.940 5.730 ( 9.744 1.092 -4.854) 10.940 5.849 ( -8.492 -0.955 1.813) 8.735 5.849 ( 8.492 -0.955 1.813) 8.735 6.103 ( -4.784 7.633 7.380) 11.646 6.103 ( 4.784 7.633 7.380) 11.646 6.442 ( -5.129 2.987 2.930) 6.619 6.442 ( 5.129 2.987 2.930) 6.619 6.602 ( -8.996 -2.851 3.434) 10.043 6.602 ( 8.996 -2.851 3.434) 10.043 6.776 ( -1.361 10.105 -3.120) 10.663 6.776 ( 1.361 10.105 -3.120) 10.663 7.120 ( -4.595 17.287 -4.943) 18.557 7.120 ( 4.595 17.287 -4.943) 18.557 7.309 ( -15.433 10.419 6.191) 19.623 7.309 ( 15.433 10.419 6.191) 19.623 7.660 ( -2.812 -1.115 -4.321) 5.275 7.660 ( 2.812 -1.115 -4.321) 5.275 7.868 ( -1.962 -0.288 -0.205) 1.994 7.868 ( 1.962 -0.288 -0.205) 1.994 7.911 ( -1.908 -0.715 0.363) 2.069 7.911 ( 1.908 -0.715 0.363) 2.069 8.219 ( -4.532 1.342 -0.165) 4.729 8.219 ( 4.532 1.342 -0.165) 4.729 8.584 ( -2.056 -2.546 -3.797) 5.013 8.584 ( 2.056 -2.546 -3.797) 5.013 8.866 ( -7.561 12.164 0.278) 14.325 8.866 ( 7.561 12.164 0.278) 14.325 9.005 ( -6.896 6.376 2.588) 9.741 9.005 ( 6.896 6.376 2.588) 9.741 9.204 ( -2.099 1.351 -6.422) 6.890 9.204 ( 2.099 1.351 -6.422) 6.890 9.325 ( -10.766 9.285 -3.412) 14.621 9.325 ( 10.766 9.285 -3.412) 14.621 9.927 ( -4.982 6.804 3.696) 9.208 9.927 ( 4.982 6.804 3.696) 9.208 10.055 ( -12.344 8.458 0.799) 14.985 10.055 ( 12.344 8.458 0.799) 14.985 10.637 ( -4.054 0.871 -4.006) 5.765 10.637 ( 4.054 0.871 -4.006) 5.765 10.819 ( -3.461 2.491 -0.995) 4.379 10.819 ( 3.461 2.491 -0.995) 4.379 11.087 ( -10.885 1.809 -9.147) 14.333 11.087 ( 10.885 1.809 -9.147) 14.333 11.197 ( -2.344 5.588 -2.305) 6.484 11.197 ( 2.344 5.588 -2.305) 6.484 11.362 ( -0.853 12.243 -1.987) 12.433 11.362 ( 0.853 12.243 -1.987) 12.433 12.492 ( -2.287 -3.366 8.911) 9.796 12.492 ( 2.287 -3.366 8.911) 9.796 12.697 ( -1.730 -2.188 5.437) 6.111 12.697 ( 1.730 -2.188 5.437) 6.111 13.275 ( -1.872 -2.108 -3.082) 4.177 13.275 ( 1.872 -2.108 -3.082) 4.177 13.452 ( -5.754 -2.626 1.741) 6.560 13.452 ( 5.754 -2.626 1.741) 6.560 13.886 ( -6.393 0.394 -0.376) 6.416 13.886 ( 6.393 0.394 -0.376) 6.416 14.519 ( -10.345 -2.117 6.182) 12.236 14.519 ( 10.345 -2.117 6.182) 12.236 14.934 ( -6.826 0.033 -11.862) 13.686 14.934 ( 6.826 0.033 -11.862) 13.686 15.745 ( -8.351 0.997 -8.852) 12.211 15.745 ( 8.351 0.997 -8.852) 12.211 16.469 ( -1.921 -5.791 -2.813) 6.719 16.469 ( 1.921 -5.791 -2.813) 6.719 16.981 ( -7.760 -2.539 9.533) 12.552 16.981 ( 7.760 -2.539 9.533) 12.552 17.414 ( -1.876 -6.500 -3.202) 7.484 17.414 ( 1.876 -6.500 -3.202) 7.484 17.782 ( -1.738 -4.722 9.444) 10.701 17.782 ( 1.738 -4.722 9.444) 10.701 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 19.054 18.445) 26.520 1.419 ( 0.000 19.706 22.430) 29.857 2.025 ( 0.000 1.279 6.116) 6.248 2.223 ( 0.000 -1.373 1.740) 2.216 2.275 ( 0.000 -0.537 2.362) 2.422 2.379 ( 0.000 4.730 -0.624) 4.771 2.459 ( 0.000 5.189 -0.266) 5.196 2.572 ( 0.000 31.675 8.199) 32.718 2.670 ( 0.000 -5.290 2.849) 6.008 2.671 ( 0.000 4.226 1.426) 4.460 2.827 ( 0.000 -5.691 1.609) 5.914 3.029 ( 0.000 -0.087 -2.565) 2.566 3.104 ( 0.000 0.839 1.288) 1.537 3.156 ( 0.000 11.018 -2.107) 11.218 3.333 ( 0.000 24.222 1.153) 24.250 3.496 ( 0.000 8.887 1.160) 8.962 3.599 ( 0.000 10.091 -1.904) 10.269 3.720 ( 0.000 7.346 -2.270) 7.688 3.813 ( 0.000 2.002 -1.052) 2.262 3.837 ( 0.000 10.735 -4.529) 11.651 4.016 ( 0.000 -2.828 0.411) 2.857 4.156 ( 0.000 -20.977 0.115) 20.978 4.398 ( 0.000 11.620 -0.367) 11.626 4.475 ( 0.000 22.204 2.128) 22.306 4.646 ( 0.000 23.171 0.173) 23.171 4.664 ( 0.000 6.466 0.071) 6.466 4.674 ( 0.000 1.087 8.504) 8.573 4.730 ( 0.000 -4.036 -3.909) 5.619 4.870 ( 0.000 9.331 -2.131) 9.571 4.913 ( 0.000 2.230 -3.064) 3.790 5.020 ( 0.000 -1.389 -1.195) 1.833 5.069 ( 0.000 -7.573 -3.230) 8.233 5.150 ( 0.000 -1.217 -1.459) 1.900 5.245 ( 0.000 4.933 9.127) 10.375 5.251 ( 0.000 -0.596 2.465) 2.536 5.432 ( 0.000 -1.220 -2.311) 2.613 5.577 ( 0.000 5.763 -3.320) 6.651 5.671 ( 0.000 5.514 4.887) 7.368 5.740 ( 0.000 13.435 -2.630) 13.690 6.105 ( 0.000 8.165 8.203) 11.574 6.172 ( 0.000 9.203 -6.965) 11.541 6.304 ( 0.000 -0.315 -4.832) 4.843 6.389 ( 0.000 -1.674 0.356) 1.712 6.409 ( 0.000 7.666 8.790) 11.664 6.535 ( 0.000 -6.319 4.080) 7.522 6.634 ( 0.000 5.706 1.732) 5.963 6.766 ( 0.000 2.197 0.903) 2.375 6.992 ( 0.000 16.353 -5.326) 17.198 7.211 ( 0.000 35.420 -2.894) 35.538 7.228 ( 0.000 8.013 0.597) 8.035 7.583 ( 0.000 19.258 -7.198) 20.559 7.686 ( 0.000 -5.335 -7.570) 9.261 7.740 ( 0.000 6.421 -1.858) 6.684 7.841 ( 0.000 0.217 -6.023) 6.027 7.911 ( 0.000 3.677 -0.737) 3.750 7.997 ( 0.000 -6.383 4.890) 8.041 8.195 ( 0.000 1.393 -0.881) 1.648 8.210 ( 0.000 -0.053 10.160) 10.161 8.253 ( 0.000 -2.736 -6.091) 6.678 8.482 ( 0.000 5.976 -2.886) 6.637 8.483 ( 0.000 1.138 -9.022) 9.093 8.661 ( 0.000 5.617 4.090) 6.949 8.706 ( 0.000 9.785 0.401) 9.794 8.709 ( 0.000 0.996 -0.590) 1.158 8.986 ( 0.000 7.690 2.959) 8.240 9.028 ( 0.000 12.830 -6.099) 14.206 9.298 ( 0.000 -3.630 -0.631) 3.684 9.469 ( 0.000 15.929 0.971) 15.958 9.565 ( 0.000 18.452 -5.745) 19.326 9.870 ( 0.000 -0.966 -6.347) 6.420 9.960 ( 0.000 13.156 -4.229) 13.819 9.966 ( 0.000 4.379 22.163) 22.592 10.284 ( 0.000 -6.064 -2.611) 6.603 10.301 ( 0.000 -1.048 0.549) 1.183 10.465 ( 0.000 13.197 0.521) 13.208 10.660 ( 0.000 17.814 3.395) 18.135 10.671 ( 0.000 14.352 10.470) 17.765 10.939 ( 0.000 8.693 -7.161) 11.263 10.972 ( 0.000 17.633 -3.568) 17.991 11.303 ( 0.000 8.386 -2.102) 8.645 11.348 ( 0.000 7.353 -2.335) 7.715 11.595 ( 0.000 9.726 -4.178) 10.585 11.598 ( 0.000 10.649 -7.779) 13.188 11.799 ( 0.000 16.829 -4.625) 17.453 12.441 ( 0.000 -4.207 7.611) 8.697 12.511 ( 0.000 3.055 12.686) 13.048 12.622 ( 0.000 7.258 -1.262) 7.367 12.666 ( 0.000 -5.759 4.140) 7.093 13.102 ( 0.000 -8.981 -4.518) 10.054 13.174 ( 0.000 -9.466 0.660) 9.489 13.226 ( 0.000 -5.723 -0.360) 5.734 13.614 ( 0.000 -7.101 -1.246) 7.209 13.771 ( 0.000 5.650 3.231) 6.508 14.146 ( 0.000 5.879 4.018) 7.121 14.248 ( 0.000 2.904 -2.909) 4.110 14.765 ( 0.000 -4.515 -4.388) 6.296 14.774 ( 0.000 1.045 4.746) 4.860 15.178 ( 0.000 -8.652 0.543) 8.669 15.336 ( 0.000 -0.297 -22.630) 22.632 15.997 ( 0.000 -15.481 -2.404) 15.667 16.304 ( 0.000 -3.418 -1.553) 3.754 16.374 ( 0.000 8.069 -25.568) 26.811 16.792 ( 0.000 -1.106 15.349) 15.389 17.024 ( 0.000 -15.235 -3.932) 15.735 17.109 ( 0.000 -11.146 -4.578) 12.050 17.429 ( 0.000 -5.432 12.422) 13.558 17.638 ( 0.000 -3.761 7.340) 8.248 17.697 ( 0.000 -8.762 8.505) 12.211 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 14.607 19.633 9.107) 26.111 1.674 ( 18.536 13.272 17.638) 28.824 1.969 ( -6.839 4.329 6.463) 10.357 2.204 ( -3.589 1.644 1.301) 4.156 2.238 ( -1.516 -0.461 1.057) 1.905 2.297 ( -5.689 8.982 2.645) 10.957 2.497 ( 2.806 0.477 -1.968) 3.460 2.605 ( 1.301 9.990 3.623) 10.706 2.676 ( 1.346 0.623 1.042) 1.813 2.744 ( 5.268 6.741 1.877) 8.759 2.815 ( -2.379 -0.301 -0.157) 2.403 3.010 ( -2.578 -4.237 0.233) 4.965 3.116 ( 1.905 6.839 0.802) 7.144 3.158 ( 4.559 4.285 3.350) 7.097 3.295 ( -9.849 8.472 -3.948) 13.578 3.385 ( 1.488 22.776 2.054) 22.916 3.539 ( -2.021 21.953 1.221) 22.079 3.762 ( -4.354 1.895 -0.160) 4.751 3.857 ( 1.999 10.029 -0.641) 10.246 3.917 ( 8.713 4.074 -1.050) 9.676 4.097 ( 1.260 -13.942 -0.823) 14.023 4.162 ( 3.834 -2.739 0.708) 4.765 4.345 ( -3.087 10.018 0.948) 10.525 4.401 ( -9.833 12.606 2.631) 16.203 4.484 ( -12.448 11.953 7.111) 18.665 4.582 ( -9.183 -0.944 2.030) 9.452 4.677 ( 0.802 16.268 3.019) 16.565 4.737 ( -1.217 7.362 4.038) 8.484 4.774 ( 4.510 -1.582 -5.476) 7.268 4.923 ( -2.647 -0.538 -0.339) 2.722 4.995 ( 2.510 14.503 -0.260) 14.721 5.115 ( -1.913 -5.184 -2.443) 6.042 5.170 ( -0.053 -1.560 -3.515) 3.846 5.201 ( 3.676 9.276 -2.769) 10.355 5.318 ( 0.467 -2.725 -1.283) 3.048 5.480 ( 0.440 2.713 -4.742) 5.481 5.569 ( 3.089 1.587 -1.098) 3.642 5.628 ( 5.457 9.278 -0.771) 10.792 6.032 ( 3.934 0.963 -0.542) 4.086 6.041 ( -9.961 1.355 -4.438) 10.988 6.079 ( -0.646 4.531 5.409) 7.085 6.249 ( 7.428 6.759 3.045) 10.494 6.383 ( -1.568 8.004 7.988) 11.417 6.424 ( 2.116 0.634 7.168) 7.500 6.614 ( 0.174 4.514 -1.499) 4.760 6.717 ( -0.991 3.522 1.543) 3.971 6.796 ( 11.433 -1.436 0.589) 11.538 7.043 ( 4.421 17.069 -5.978) 18.618 7.180 ( 0.030 9.255 -1.062) 9.316 7.378 ( 10.287 23.627 -5.461) 26.342 7.592 ( -2.297 12.585 -4.692) 13.626 7.635 ( -3.387 -1.891 -8.803) 9.619 7.700 ( -6.314 1.649 -1.949) 6.811 7.770 ( -1.236 4.207 -1.943) 4.796 7.886 ( -0.871 2.026 1.842) 2.874 7.961 ( -0.501 7.384 0.345) 7.409 8.039 ( -10.638 0.308 -1.114) 10.700 8.102 ( -10.768 9.019 0.591) 14.059 8.299 ( -2.238 -1.208 -6.837) 7.295 8.382 ( -3.809 0.682 1.241) 4.063 8.475 ( -3.442 1.750 -0.101) 3.863 8.554 ( 0.937 5.455 5.755) 7.985 8.876 ( 11.375 2.648 3.183) 12.105 8.913 ( 13.495 3.669 -2.904) 14.283 9.013 ( 3.165 10.532 -1.872) 11.156 9.125 ( -1.550 4.725 6.085) 7.858 9.193 ( 1.567 -0.541 -7.240) 7.427 9.454 ( -4.979 13.856 -1.203) 14.772 9.557 ( 0.263 20.230 -3.742) 20.574 9.814 ( -9.711 12.710 -1.635) 16.079 9.961 ( 10.122 11.807 0.404) 15.557 10.172 ( -2.939 1.615 2.016) 3.913 10.196 ( -0.126 10.785 2.738) 11.128 10.415 ( 9.430 6.630 2.748) 11.851 10.525 ( 9.397 -0.764 0.464) 9.439 10.587 ( 1.741 9.049 0.319) 9.220 10.763 ( -2.228 8.173 -0.423) 8.482 10.983 ( 3.489 10.875 -2.749) 11.747 10.996 ( 4.238 15.418 -3.033) 16.275 11.303 ( -0.338 8.487 -2.385) 8.823 11.332 ( -1.840 7.701 -2.438) 8.285 11.421 ( -10.188 4.862 -7.038) 13.303 11.654 ( 0.470 14.604 -2.095) 14.761 11.726 ( -5.305 16.069 -1.498) 16.988 12.428 ( -0.904 -2.055 4.431) 4.968 12.472 ( -3.253 -1.211 5.626) 6.611 12.640 ( 1.232 1.598 2.835) 3.480 12.675 ( 0.462 -2.377 8.234) 8.583 13.123 ( 1.664 -9.410 -3.631) 10.223 13.169 ( -0.271 -9.585 -0.244) 9.592 13.277 ( 4.707 -4.073 0.128) 6.226 13.548 ( -5.769 -4.705 0.499) 7.461 13.810 ( 3.554 4.154 -0.099) 5.468 14.055 ( -6.713 3.403 -0.322) 7.534 14.334 ( 6.583 2.934 3.019) 7.814 14.658 ( -7.326 -1.683 4.565) 8.794 14.828 ( 3.083 -1.430 -4.723) 5.819 15.046 ( -7.531 -4.784 -8.312) 12.194 15.521 ( 12.034 -1.220 -12.950) 17.720 15.933 ( -6.196 -7.566 -6.267) 11.614 16.311 ( 0.421 -5.684 -3.026) 6.453 16.337 ( -2.129 -1.634 -16.053) 16.276 16.829 ( 3.346 -1.345 12.798) 13.296 17.037 ( -1.656 -7.125 -2.826) 7.842 17.138 ( 4.047 -13.605 -2.027) 14.338 17.355 ( -5.053 -5.044 7.386) 10.273 17.647 ( 0.411 -5.752 9.521) 11.131 17.685 ( -1.095 -8.321 9.008) 12.312 ======================= Grid point 57 (24/60) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -17.887 12.739 5.104) 22.545 1.707 ( 17.887 12.739 5.104) 22.545 2.018 ( -13.834 10.938 6.780) 18.894 2.018 ( 13.834 10.938 6.780) 18.894 2.235 ( -0.857 0.660 1.902) 2.188 2.235 ( 0.857 0.660 1.902) 2.188 2.577 ( -4.315 -2.001 -1.938) 5.136 2.577 ( 4.315 -2.001 -1.938) 5.136 2.707 ( -2.786 1.583 -2.393) 3.999 2.707 ( 2.786 1.583 -2.393) 3.999 2.908 ( -6.736 -0.256 1.701) 6.952 2.908 ( 6.736 -0.256 1.701) 6.952 3.153 ( -3.484 9.742 -2.316) 10.602 3.153 ( 3.484 9.742 -2.316) 10.602 3.398 ( -6.702 7.832 5.520) 11.693 3.398 ( 6.702 7.832 5.520) 11.693 3.556 ( -10.412 18.066 7.224) 22.067 3.556 ( 10.412 18.066 7.224) 22.067 3.924 ( -5.522 12.160 1.887) 13.487 3.924 ( 5.522 12.160 1.887) 13.487 4.129 ( -8.631 -5.237 -0.228) 10.098 4.129 ( 8.631 -5.237 -0.228) 10.098 4.352 ( -3.292 2.609 2.664) 4.974 4.352 ( 3.292 2.609 2.664) 4.974 4.391 ( -8.184 6.955 0.533) 10.753 4.391 ( 8.184 6.955 0.533) 10.753 4.700 ( -1.577 11.755 3.141) 12.269 4.700 ( 1.577 11.755 3.141) 12.269 4.879 ( -4.343 2.429 -1.376) 5.164 4.879 ( 4.343 2.429 -1.376) 5.164 5.032 ( -3.083 5.745 -4.822) 8.109 5.032 ( 3.083 5.745 -4.822) 8.109 5.235 ( -4.838 0.243 -1.940) 5.218 5.235 ( 4.838 0.243 -1.940) 5.218 5.366 ( -8.143 4.870 -3.527) 10.123 5.366 ( 8.143 4.870 -3.527) 10.123 5.725 ( -6.552 -2.663 -0.753) 7.113 5.725 ( 6.552 -2.663 -0.753) 7.113 5.887 ( -6.631 6.847 -3.754) 10.245 5.887 ( 6.631 6.847 -3.754) 10.245 6.233 ( -6.333 5.828 7.852) 11.650 6.233 ( 6.333 5.828 7.852) 11.650 6.456 ( -3.593 0.215 2.494) 4.379 6.456 ( 3.593 0.215 2.494) 4.379 6.649 ( -6.509 4.477 4.792) 9.240 6.649 ( 6.509 4.477 4.792) 9.240 7.004 ( -7.288 8.233 -2.806) 11.347 7.004 ( 7.288 8.233 -2.806) 11.347 7.344 ( -12.543 4.546 -8.749) 15.954 7.344 ( 12.543 4.546 -8.749) 15.954 7.593 ( -4.119 9.054 -3.875) 10.675 7.593 ( 4.119 9.054 -3.875) 10.675 7.696 ( -4.672 6.628 -5.491) 9.794 7.696 ( 4.672 6.628 -5.491) 9.794 7.885 ( -3.174 2.265 1.948) 4.359 7.885 ( 3.174 2.265 1.948) 4.359 7.975 ( -2.398 14.729 3.069) 15.235 7.975 ( 2.398 14.729 3.069) 15.235 8.262 ( -2.298 2.475 0.473) 3.410 8.262 ( 2.298 2.475 0.473) 3.410 8.531 ( -3.430 -1.463 -0.264) 3.738 8.531 ( 3.430 -1.463 -0.264) 3.738 9.016 ( -2.700 2.165 -1.549) 3.791 9.016 ( 2.700 2.165 -1.549) 3.791 9.130 ( -1.578 5.023 -1.051) 5.369 9.130 ( 1.578 5.023 -1.051) 5.369 9.291 ( -9.135 7.635 1.343) 11.981 9.291 ( 9.135 7.635 1.343) 11.981 9.614 ( -6.974 18.827 -0.993) 20.101 9.614 ( 6.974 18.827 -0.993) 20.101 10.089 ( -1.984 10.674 0.040) 10.856 10.089 ( 1.984 10.674 0.040) 10.856 10.347 ( -11.437 19.640 2.853) 22.906 10.347 ( 11.437 19.640 2.853) 22.906 10.629 ( -3.368 -1.520 -6.411) 7.400 10.629 ( 3.368 -1.520 -6.411) 7.400 10.912 ( -12.507 5.733 0.507) 13.768 10.912 ( 12.507 5.733 0.507) 13.768 11.159 ( -10.774 5.854 -6.496) 13.877 11.159 ( 10.774 5.854 -6.496) 13.877 11.323 ( -1.263 8.248 -1.445) 8.468 11.323 ( 1.263 8.248 -1.445) 8.468 11.656 ( -1.029 15.747 0.743) 15.798 11.656 ( 1.029 15.747 0.743) 15.798 12.422 ( -0.927 -2.805 2.002) 3.569 12.422 ( 0.927 -2.805 2.002) 3.569 12.666 ( -1.202 -1.320 7.722) 7.926 12.666 ( 1.202 -1.320 7.722) 7.926 13.155 ( -1.241 -10.085 -1.801) 10.319 13.155 ( 1.241 -10.085 -1.801) 10.319 13.407 ( -7.426 -2.452 0.721) 7.853 13.407 ( 7.426 -2.452 0.721) 7.853 13.913 ( -6.509 2.477 -1.614) 7.149 13.913 ( 6.509 2.477 -1.614) 7.149 14.492 ( -8.465 0.433 5.624) 10.173 14.492 ( 8.465 0.433 5.624) 10.173 14.913 ( -5.370 -2.343 -8.025) 9.936 14.913 ( 5.370 -2.343 -8.025) 9.936 15.757 ( -10.604 -0.652 -10.061) 14.632 15.757 ( 10.604 -0.652 -10.061) 14.632 16.315 ( -0.248 -8.699 -6.906) 11.110 16.315 ( 0.248 -8.699 -6.906) 11.110 16.932 ( -6.495 -2.288 7.969) 10.532 16.932 ( 6.495 -2.288 7.969) 10.532 17.253 ( -5.611 -9.190 -1.516) 10.874 17.253 ( 5.611 -9.190 -1.516) 10.874 17.660 ( -1.070 -7.457 10.469) 12.898 17.660 ( 1.070 -7.457 10.469) 12.898 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 19.167 9.638) 21.453 1.801 ( 0.000 18.330 12.849) 22.385 2.039 ( 0.000 0.090 4.823) 4.824 2.199 ( 0.000 -0.903 2.053) 2.243 2.269 ( 0.000 0.095 2.787) 2.788 2.417 ( 0.000 -0.194 -3.003) 3.009 2.530 ( 0.000 1.603 0.433) 1.661 2.593 ( 0.000 -2.198 3.395) 4.045 2.615 ( 0.000 0.631 4.052) 4.101 2.735 ( 0.000 -3.018 3.770) 4.829 2.928 ( 0.000 0.892 -0.307) 0.943 2.965 ( 0.000 -4.613 -0.197) 4.617 3.165 ( 0.000 4.776 1.465) 4.996 3.313 ( 0.000 2.961 -4.682) 5.540 3.575 ( 0.000 -3.515 0.301) 3.528 3.688 ( 0.000 -3.457 0.840) 3.557 3.712 ( 0.000 7.566 -5.028) 9.084 3.732 ( 0.000 -18.081 0.756) 18.097 3.886 ( 0.000 12.812 3.388) 13.253 4.006 ( 0.000 12.845 4.609) 13.647 4.073 ( 0.000 11.069 -0.670) 11.089 4.270 ( 0.000 32.424 4.145) 32.688 4.456 ( 0.000 -2.402 -3.152) 3.963 4.552 ( 0.000 -6.278 -5.617) 8.424 4.617 ( 0.000 -6.409 -2.351) 6.826 4.650 ( 0.000 3.217 5.424) 6.306 4.831 ( 0.000 2.434 0.218) 2.444 4.846 ( 0.000 -9.077 -0.537) 9.092 4.885 ( 0.000 2.694 0.928) 2.849 5.051 ( 0.000 3.426 -6.251) 7.128 5.096 ( 0.000 3.341 2.618) 4.245 5.168 ( 0.000 10.734 3.360) 11.248 5.216 ( 0.000 13.200 -1.758) 13.317 5.258 ( 0.000 6.813 2.042) 7.113 5.320 ( 0.000 -0.177 -0.048) 0.184 5.533 ( 0.000 11.483 5.593) 12.773 5.772 ( 0.000 12.027 -3.241) 12.456 5.842 ( 0.000 8.926 0.344) 8.933 5.915 ( 0.000 3.082 -6.222) 6.943 6.208 ( 0.000 -1.492 4.620) 4.855 6.249 ( 0.000 0.777 -4.510) 4.576 6.398 ( 0.000 7.994 3.479) 8.718 6.414 ( 0.000 1.316 8.176) 8.281 6.465 ( 0.000 6.641 -2.082) 6.960 6.581 ( 0.000 9.051 11.002) 14.247 6.737 ( 0.000 4.209 -1.472) 4.459 6.787 ( 0.000 -0.408 3.052) 3.080 7.139 ( 0.000 -8.710 -10.740) 13.828 7.363 ( 0.000 10.934 -8.185) 13.658 7.475 ( 0.000 -0.779 -9.893) 9.923 7.592 ( 0.000 -2.985 -5.240) 6.030 7.675 ( 0.000 -2.067 -6.549) 6.867 7.816 ( 0.000 -1.329 4.695) 4.879 7.913 ( 0.000 -1.471 -3.083) 3.416 8.061 ( 0.000 7.412 -8.317) 11.140 8.115 ( 0.000 2.295 3.557) 4.233 8.219 ( 0.000 3.602 -7.493) 8.314 8.271 ( 0.000 4.997 13.897) 14.768 8.287 ( 0.000 13.346 5.571) 14.462 8.500 ( 0.000 0.674 -10.480) 10.502 8.663 ( 0.000 12.397 2.261) 12.602 8.784 ( 0.000 7.172 -1.962) 7.436 8.820 ( 0.000 13.160 2.616) 13.418 8.866 ( 0.000 5.613 5.414) 7.799 9.108 ( 0.000 6.929 6.121) 9.246 9.123 ( 0.000 -3.052 0.995) 3.210 9.280 ( 0.000 2.304 -6.430) 6.830 9.687 ( 0.000 -0.824 -8.347) 8.388 9.789 ( 0.000 16.525 2.930) 16.783 9.936 ( 0.000 -0.566 -0.912) 1.073 10.128 ( 0.000 -6.436 2.040) 6.752 10.185 ( 0.000 12.953 11.962) 17.632 10.256 ( 0.000 7.094 -5.158) 8.771 10.368 ( 0.000 15.188 3.183) 15.518 10.758 ( 0.000 16.385 1.557) 16.459 11.008 ( 0.000 17.200 -1.372) 17.255 11.010 ( 0.000 19.749 10.228) 22.241 11.079 ( 0.000 8.445 -8.552) 12.019 11.451 ( 0.000 22.423 -0.501) 22.429 11.500 ( 0.000 10.944 -4.615) 11.877 11.563 ( 0.000 13.852 -4.035) 14.428 11.739 ( 0.000 7.463 -2.059) 7.742 11.833 ( 0.000 14.186 -2.848) 14.469 12.137 ( 0.000 16.527 -1.841) 16.629 12.339 ( 0.000 -6.831 3.611) 7.727 12.487 ( 0.000 -11.164 8.102) 13.794 12.517 ( 0.000 -5.010 7.633) 9.131 12.742 ( 0.000 6.503 -1.639) 6.706 12.860 ( 0.000 -14.951 -4.749) 15.687 12.940 ( 0.000 -14.128 1.672) 14.227 13.138 ( 0.000 -4.088 -0.345) 4.103 13.420 ( 0.000 -12.377 -2.936) 12.720 13.961 ( 0.000 13.091 -2.782) 13.383 14.287 ( 0.000 9.025 7.797) 11.926 14.324 ( 0.000 4.582 -6.004) 7.553 14.626 ( 0.000 -9.644 -4.521) 10.651 14.847 ( 0.000 3.645 -2.548) 4.448 15.030 ( 0.000 -2.390 5.099) 5.631 15.362 ( 0.000 3.059 -14.174) 14.500 15.631 ( 0.000 -21.476 -0.264) 21.478 16.197 ( 0.000 -7.569 -8.987) 11.749 16.448 ( 0.000 -2.911 -21.683) 21.877 16.725 ( 0.000 -11.426 -7.442) 13.636 16.821 ( 0.000 4.758 19.213) 19.794 16.899 ( 0.000 -9.374 -8.767) 12.835 17.368 ( 0.000 -1.137 12.635) 12.686 17.494 ( 0.000 -11.968 10.082) 15.649 17.552 ( 0.000 -4.914 8.306) 9.651 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 11.480 18.322 4.512) 22.087 1.916 ( 9.790 11.201 11.555) 18.837 2.036 ( -0.879 2.187 5.832) 6.291 2.194 ( -1.089 -1.048 2.220) 2.686 2.239 ( -1.547 1.229 2.009) 2.818 2.413 ( -1.728 1.997 -0.757) 2.747 2.493 ( -2.736 0.786 -0.920) 2.991 2.582 ( -0.128 -2.400 1.281) 2.723 2.632 ( 1.366 -0.029 1.242) 1.846 2.772 ( 0.127 -2.190 4.415) 4.930 2.900 ( -4.024 -1.490 -0.668) 4.342 2.937 ( -0.017 -2.146 1.326) 2.523 3.199 ( 4.368 4.066 3.570) 6.954 3.265 ( -1.890 2.714 -4.099) 5.267 3.415 ( -8.038 2.411 -1.405) 8.509 3.687 ( -7.482 -6.529 4.130) 10.754 3.755 ( 5.956 -9.714 -1.696) 11.521 3.829 ( 6.168 8.703 1.137) 10.728 3.926 ( 2.288 -0.384 -1.886) 2.990 4.007 ( 0.014 4.856 4.651) 6.724 4.072 ( 0.765 14.821 1.202) 14.890 4.310 ( 3.536 25.648 3.009) 26.064 4.391 ( -3.672 -0.031 -2.177) 4.269 4.501 ( -9.275 -3.192 2.526) 10.129 4.572 ( -4.524 4.199 -0.141) 6.174 4.648 ( 0.408 1.634 -1.269) 2.109 4.728 ( -1.249 3.066 1.532) 3.648 4.873 ( 1.915 2.401 -0.288) 3.084 4.894 ( 0.147 -0.566 1.883) 1.972 5.032 ( -6.447 11.002 0.950) 12.787 5.066 ( 1.074 1.252 -3.204) 3.604 5.142 ( -1.257 8.819 1.051) 8.970 5.235 ( 6.158 -1.895 1.242) 6.561 5.340 ( 0.627 4.334 0.616) 4.422 5.396 ( 6.055 11.539 -6.750) 14.675 5.564 ( 2.833 7.136 0.629) 7.704 5.685 ( -6.524 7.327 -3.831) 10.532 5.837 ( -1.789 5.870 1.589) 6.339 6.000 ( -1.921 3.363 -2.079) 4.395 6.092 ( 7.694 4.122 -3.566) 9.429 6.282 ( -3.454 11.953 2.190) 12.633 6.407 ( 3.381 3.648 7.128) 8.692 6.429 ( -2.017 2.447 7.345) 8.000 6.513 ( -0.482 4.532 4.668) 6.523 6.686 ( 7.645 0.977 -1.348) 7.824 6.707 ( 0.269 0.455 5.067) 5.095 6.787 ( 1.394 -0.333 2.789) 3.136 7.113 ( -2.691 -12.318 -6.525) 14.197 7.360 ( 0.237 12.949 -10.571) 16.717 7.508 ( -2.804 -1.289 -9.443) 9.935 7.567 ( 3.207 -2.818 -6.018) 7.378 7.675 ( -0.268 -2.701 -5.743) 6.352 7.742 ( -2.847 5.237 2.462) 6.449 7.905 ( -0.622 0.529 -1.091) 1.363 8.050 ( -4.919 3.676 4.332) 7.515 8.072 ( -3.748 9.811 -4.102) 11.275 8.201 ( -2.393 4.084 1.276) 4.902 8.230 ( 0.922 -0.997 -7.813) 7.931 8.323 ( -8.330 4.634 -9.394) 13.383 8.375 ( 2.851 5.077 3.544) 6.817 8.643 ( -3.157 15.246 3.264) 15.908 8.801 ( -1.492 18.342 5.998) 19.356 8.918 ( 7.495 2.636 -2.074) 8.212 8.990 ( 14.478 4.730 4.778) 15.963 9.129 ( 0.657 2.937 2.009) 3.619 9.175 ( -0.670 3.306 -2.357) 4.115 9.246 ( 3.077 4.113 0.641) 5.177 9.701 ( -4.380 9.006 0.447) 10.025 9.817 ( 2.830 4.107 -0.168) 4.990 10.013 ( -5.279 11.443 6.896) 14.366 10.187 ( 13.120 1.906 -6.408) 14.726 10.294 ( 15.242 -6.954 5.412) 17.606 10.312 ( 5.303 11.572 -5.582) 13.899 10.465 ( 8.097 16.678 4.178) 19.005 10.722 ( -4.770 10.877 0.594) 11.892 10.856 ( -3.973 19.540 4.537) 20.449 10.996 ( -7.038 12.907 -5.474) 15.687 11.171 ( 6.189 12.970 -1.470) 14.446 11.402 ( -10.523 17.451 -7.535) 21.727 11.490 ( -3.382 8.630 1.611) 9.408 11.528 ( -2.899 10.191 -1.482) 10.698 11.584 ( -2.743 17.597 -2.124) 17.936 11.897 ( 1.027 10.414 3.298) 10.972 12.020 ( -7.804 12.183 3.831) 14.967 12.375 ( 1.508 -4.391 -1.011) 4.752 12.401 ( -3.276 -6.600 1.469) 7.514 12.579 ( 2.694 -4.993 6.739) 8.809 12.710 ( -2.952 5.277 0.500) 6.067 12.872 ( 1.133 -15.599 -3.581) 16.045 12.928 ( -1.039 -14.707 0.732) 14.762 13.206 ( 5.445 -4.673 0.382) 7.186 13.391 ( -2.680 -11.363 -2.101) 11.862 13.966 ( 0.731 11.732 -3.161) 12.172 14.142 ( -8.104 6.413 -1.184) 10.403 14.435 ( 5.777 6.907 2.384) 9.315 14.612 ( -1.728 -5.266 -2.090) 5.924 14.839 ( -0.215 3.079 -2.347) 3.878 14.944 ( -5.257 -2.609 -0.751) 5.917 15.512 ( 9.940 -0.850 -9.387) 13.698 15.647 ( 1.178 -19.644 -0.946) 19.702 16.166 ( -1.101 -6.870 -9.866) 12.073 16.378 ( -6.669 3.437 -18.439) 19.907 16.761 ( 3.620 -10.107 -5.547) 12.084 16.896 ( 0.982 -9.506 -3.061) 10.035 16.927 ( 7.020 0.293 8.040) 10.678 17.290 ( -6.922 -1.263 11.592) 13.561 17.488 ( -0.200 -10.938 11.633) 15.969 17.534 ( -1.723 -6.486 9.695) 11.791 ======================= Grid point 62 (27/60) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -8.164 10.668 5.051) 14.351 1.950 ( 8.164 10.668 5.051) 14.351 2.120 ( -7.102 1.458 2.487) 7.665 2.120 ( 7.102 1.458 2.487) 7.665 2.281 ( -6.813 4.273 4.523) 9.226 2.281 ( 6.813 4.273 4.523) 9.226 2.536 ( -4.710 -1.631 -3.547) 6.118 2.536 ( 4.710 -1.631 -3.547) 6.118 2.684 ( -4.261 -1.386 0.624) 4.524 2.684 ( 4.261 -1.386 0.624) 4.524 2.902 ( -2.770 -0.732 1.381) 3.181 2.902 ( 2.770 -0.732 1.381) 3.181 3.277 ( -2.847 1.104 -0.784) 3.153 3.277 ( 2.847 1.104 -0.784) 3.153 3.438 ( -13.669 1.635 6.548) 15.244 3.438 ( 13.669 1.635 6.548) 15.244 3.875 ( -3.770 -2.645 -1.667) 4.898 3.875 ( 3.770 -2.645 -1.667) 4.898 3.970 ( -3.545 0.510 -0.321) 3.596 3.970 ( 3.545 0.510 -0.321) 3.596 4.180 ( -10.907 4.105 4.570) 12.518 4.180 ( 10.907 4.105 4.570) 12.518 4.415 ( -5.487 14.848 1.264) 15.879 4.415 ( 5.487 14.848 1.264) 15.879 4.549 ( -4.899 9.312 3.199) 10.998 4.549 ( 4.899 9.312 3.199) 10.998 4.827 ( -5.143 3.112 -2.903) 6.675 4.827 ( 5.143 3.112 -2.903) 6.675 4.938 ( -3.510 -0.331 0.119) 3.527 4.938 ( 3.510 -0.331 0.119) 3.527 5.105 ( -2.058 6.377 -0.756) 6.743 5.105 ( 2.058 6.377 -0.756) 6.743 5.319 ( -2.412 3.243 0.019) 4.041 5.319 ( 2.412 3.243 0.019) 4.041 5.527 ( -6.784 8.852 -5.245) 12.324 5.527 ( 6.784 8.852 -5.245) 12.324 5.694 ( -7.827 1.137 0.421) 7.920 5.694 ( 7.827 1.137 0.421) 7.920 6.099 ( -7.462 13.304 -3.306) 15.608 6.099 ( 7.462 13.304 -3.306) 15.608 6.337 ( -7.805 2.084 4.493) 9.244 6.337 ( 7.805 2.084 4.493) 9.244 6.466 ( -1.946 2.691 6.039) 6.892 6.466 ( 1.946 2.691 6.039) 6.892 6.709 ( -1.999 0.963 5.838) 6.245 6.709 ( 1.999 0.963 5.838) 6.245 6.978 ( -10.700 -9.148 -0.478) 14.086 6.978 ( 10.700 -9.148 -0.478) 14.086 7.410 ( -4.770 4.379 -11.266) 12.994 7.410 ( 4.770 4.379 -11.266) 12.994 7.648 ( -2.864 -2.192 -4.775) 5.984 7.648 ( 2.864 -2.192 -4.775) 5.984 7.823 ( -9.088 8.106 -5.681) 13.437 7.823 ( 9.088 8.106 -5.681) 13.437 7.964 ( -1.697 5.958 4.091) 7.424 7.964 ( 1.697 5.958 4.091) 7.424 8.217 ( -3.202 -0.364 -4.655) 5.661 8.217 ( 3.202 -0.364 -4.655) 5.661 8.318 ( -5.123 1.683 -3.859) 6.631 8.318 ( 5.123 1.683 -3.859) 6.631 8.710 ( -6.244 20.784 4.631) 22.190 8.710 ( 6.244 20.784 4.631) 22.190 9.030 ( -4.601 0.104 -2.855) 5.416 9.030 ( 4.601 0.104 -2.855) 5.416 9.211 ( -2.004 5.455 -0.518) 5.834 9.211 ( 2.004 5.455 -0.518) 5.834 9.453 ( -17.291 8.319 8.116) 20.834 9.453 ( 17.291 8.319 8.116) 20.834 9.888 ( -4.324 7.165 3.715) 9.156 9.888 ( 4.324 7.165 3.715) 9.156 10.403 ( -0.810 18.459 -6.265) 19.510 10.403 ( 0.810 18.459 -6.265) 19.510 10.555 ( -9.628 -5.027 1.405) 10.951 10.555 ( 9.628 -5.027 1.405) 10.951 10.724 ( -15.903 15.916 -2.201) 22.607 10.724 ( 15.903 15.916 -2.201) 22.607 11.031 ( -18.912 7.930 -3.070) 20.736 11.031 ( 18.912 7.930 -3.070) 20.736 11.339 ( -8.641 12.326 0.931) 15.082 11.339 ( 8.641 12.326 0.931) 15.082 11.553 ( -1.821 15.709 -1.006) 15.846 11.553 ( 1.821 15.709 -1.006) 15.846 11.911 ( -2.311 8.767 6.682) 11.263 11.911 ( 2.311 8.767 6.682) 11.263 12.381 ( -0.424 -3.204 -3.336) 4.645 12.381 ( 0.424 -3.204 -3.336) 4.645 12.639 ( -3.467 0.393 4.010) 5.315 12.639 ( 3.467 0.393 4.010) 5.315 12.901 ( -1.497 -15.450 -1.474) 15.592 12.901 ( 1.497 -15.450 -1.474) 15.592 13.315 ( -4.739 -8.135 -0.117) 9.415 13.315 ( 4.739 -8.135 -0.117) 9.415 14.011 ( -4.199 8.746 -3.136) 10.196 14.011 ( 4.199 8.746 -3.136) 10.196 14.545 ( -4.684 3.294 2.095) 6.098 14.545 ( 4.684 3.294 2.095) 6.098 14.862 ( -2.643 -1.114 -3.302) 4.374 14.862 ( 2.643 -1.114 -3.302) 4.374 15.646 ( -2.504 -12.274 -4.100) 13.180 15.646 ( 2.504 -12.274 -4.100) 13.180 16.223 ( -6.771 1.512 -14.049) 15.668 16.223 ( 6.771 1.512 -14.049) 15.668 16.849 ( -4.223 -8.265 -6.078) 11.094 16.849 ( 4.223 -8.265 -6.078) 11.094 17.117 ( -9.547 -2.257 10.125) 14.098 17.117 ( 9.547 -2.257 10.125) 14.098 17.498 ( -1.291 -8.946 11.951) 14.984 17.498 ( 1.291 -8.946 11.951) 14.984 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.000 10.998 3.160) 11.443 2.017 ( 0.000 -2.111 3.158) 3.799 2.084 ( 0.000 8.905 5.522) 10.478 2.178 ( 0.000 -1.932 3.057) 3.617 2.298 ( 0.000 3.285 3.091) 4.511 2.374 ( 0.000 -3.642 -0.241) 3.650 2.575 ( 0.000 3.792 1.527) 4.088 2.591 ( 0.000 1.205 1.943) 2.286 2.651 ( 0.000 2.433 3.970) 4.656 2.733 ( 0.000 1.162 3.682) 3.861 2.828 ( 0.000 -6.347 4.383) 7.713 2.878 ( 0.000 -4.697 3.042) 5.596 3.263 ( 0.000 4.314 1.028) 4.435 3.295 ( 0.000 -2.149 -2.317) 3.160 3.417 ( 0.000 -10.023 1.752) 10.175 3.433 ( 0.000 -7.091 3.110) 7.743 3.709 ( 0.000 3.274 -2.666) 4.222 3.756 ( 0.000 -0.730 -4.989) 5.042 4.141 ( 0.000 8.945 2.455) 9.276 4.208 ( 0.000 4.811 2.630) 5.483 4.263 ( 0.000 8.247 -0.254) 8.251 4.372 ( 0.000 -4.342 -3.456) 5.549 4.430 ( 0.000 1.416 -3.725) 3.985 4.471 ( 0.000 -4.616 -5.141) 6.910 4.635 ( 0.000 -5.326 -1.621) 5.567 4.658 ( 0.000 -8.265 0.329) 8.271 4.846 ( 0.000 5.990 4.723) 7.628 4.926 ( 0.000 9.930 2.268) 10.186 4.992 ( 0.000 3.867 0.737) 3.937 5.045 ( 0.000 3.392 2.045) 3.960 5.053 ( 0.000 0.815 4.016) 4.098 5.246 ( 0.000 -5.990 1.010) 6.075 5.406 ( 0.000 9.466 -2.641) 9.828 5.451 ( 0.000 6.811 1.844) 7.056 5.533 ( 0.000 17.042 2.366) 17.205 5.672 ( 0.000 1.250 -1.757) 2.156 5.889 ( 0.000 0.396 -0.885) 0.969 5.912 ( 0.000 -0.671 -2.295) 2.391 5.994 ( 0.000 4.897 -2.436) 5.470 6.201 ( 0.000 5.559 -2.915) 6.277 6.205 ( 0.000 -14.846 1.824) 14.957 6.305 ( 0.000 -1.928 -2.642) 3.270 6.591 ( 0.000 8.585 6.402) 10.709 6.658 ( 0.000 6.470 1.731) 6.698 6.719 ( 0.000 1.483 7.368) 7.516 6.727 ( 0.000 -5.826 0.928) 5.899 6.813 ( 0.000 5.953 -1.643) 6.175 6.933 ( 0.000 -6.939 0.410) 6.951 7.442 ( 0.000 -0.955 -10.354) 10.398 7.443 ( 0.000 -1.230 -6.080) 6.203 7.605 ( 0.000 0.662 -5.940) 5.977 7.618 ( 0.000 -2.237 -7.667) 7.987 7.847 ( 0.000 6.923 4.620) 8.323 7.962 ( 0.000 4.674 -5.740) 7.402 8.011 ( 0.000 -7.660 -0.129) 7.661 8.053 ( 0.000 -4.284 -6.186) 7.525 8.322 ( 0.000 3.191 -0.920) 3.321 8.340 ( 0.000 1.344 8.667) 8.771 8.456 ( 0.000 4.101 1.162) 4.262 8.499 ( 0.000 -0.937 -6.996) 7.059 8.850 ( 0.000 7.235 5.351) 8.999 8.925 ( 0.000 0.509 5.744) 5.766 8.941 ( 0.000 5.282 3.419) 6.292 9.022 ( 0.000 -5.603 7.716) 9.536 9.064 ( 0.000 9.862 -2.143) 10.092 9.247 ( 0.000 -6.912 -10.391) 12.480 9.414 ( 0.000 21.813 1.016) 21.836 9.750 ( 0.000 6.448 0.530) 6.470 9.778 ( 0.000 -12.583 -1.228) 12.642 9.941 ( 0.000 -10.204 1.607) 10.330 10.088 ( 0.000 12.692 -1.806) 12.819 10.258 ( 0.000 -4.495 -6.136) 7.606 10.478 ( 0.000 12.554 11.113) 16.766 10.589 ( 0.000 2.493 11.221) 11.495 11.086 ( 0.000 12.753 -6.797) 14.452 11.189 ( 0.000 1.457 -10.101) 10.206 11.357 ( 0.000 17.524 0.932) 17.549 11.390 ( 0.000 18.127 9.982) 20.694 11.629 ( 0.000 -1.159 8.268) 8.349 11.642 ( 0.000 -2.240 -6.180) 6.574 11.791 ( 0.000 8.918 -5.246) 10.347 11.924 ( 0.000 2.463 -11.427) 11.689 12.187 ( 0.000 20.468 1.686) 20.537 12.228 ( 0.000 1.580 4.222) 4.508 12.243 ( 0.000 -6.026 5.482) 8.147 12.324 ( 0.000 -3.818 3.866) 5.434 12.509 ( 0.000 -11.612 -2.343) 11.846 12.576 ( 0.000 -7.939 -0.346) 7.946 12.655 ( 0.000 3.259 7.290) 7.985 12.921 ( 0.000 10.606 -3.771) 11.256 12.989 ( 0.000 -13.377 2.572) 13.622 13.157 ( 0.000 -13.488 -4.519) 14.225 14.198 ( 0.000 10.023 -6.847) 12.139 14.372 ( 0.000 -5.713 -7.369) 9.324 14.470 ( 0.000 0.701 -5.617) 5.660 14.488 ( 0.000 6.643 -0.594) 6.670 14.841 ( 0.000 5.583 2.094) 5.963 15.182 ( 0.000 -23.281 3.551) 23.550 15.211 ( 0.000 14.383 2.338) 14.571 15.402 ( 0.000 -2.366 -4.659) 5.225 16.073 ( 0.000 -1.341 -11.893) 11.969 16.223 ( 0.000 -14.237 -12.417) 18.891 16.675 ( 0.000 2.430 -15.782) 15.968 16.752 ( 0.000 -5.473 -13.076) 14.176 16.987 ( 0.000 11.430 16.493) 20.067 17.239 ( 0.000 -13.565 12.665) 18.558 17.382 ( 0.000 2.415 11.912) 12.155 17.455 ( 0.000 -4.709 9.950) 11.008 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 7.233 7.296 1.710) 10.415 2.051 ( 2.670 -0.603 3.585) 4.510 2.091 ( 0.454 6.479 5.329) 8.401 2.167 ( -1.212 -2.014 3.068) 3.864 2.298 ( 1.083 4.652 3.358) 5.838 2.386 ( 2.037 -3.557 -0.274) 4.109 2.541 ( -5.479 2.930 0.995) 6.292 2.580 ( -1.131 0.639 -0.561) 1.415 2.657 ( 1.761 3.865 2.801) 5.088 2.785 ( 1.347 3.492 6.302) 7.329 2.821 ( 0.615 -8.336 2.305) 8.670 2.862 ( -0.476 -2.728 3.209) 4.238 3.261 ( -1.493 1.282 -1.671) 2.582 3.297 ( 2.687 2.330 1.140) 3.735 3.399 ( -3.276 -4.735 1.204) 5.882 3.425 ( -0.264 -7.825 2.830) 8.325 3.709 ( 4.221 0.234 -0.832) 4.308 3.769 ( 0.251 -5.318 -3.735) 6.503 4.057 ( -9.548 6.309 2.450) 11.703 4.118 ( -7.214 2.154 3.382) 8.253 4.268 ( -0.686 8.181 -0.858) 8.254 4.352 ( 2.279 0.431 -1.731) 2.894 4.421 ( -5.770 -1.643 -0.050) 5.999 4.478 ( -2.813 -7.075 -4.323) 8.755 4.598 ( 7.983 1.506 -2.030) 8.374 4.704 ( 2.982 -8.269 0.647) 8.814 4.846 ( -1.508 5.539 3.286) 6.615 4.909 ( -2.609 1.301 -0.785) 3.020 5.038 ( 2.987 17.364 3.838) 18.032 5.098 ( 5.548 2.293 0.176) 6.006 5.154 ( 7.102 -1.662 0.918) 7.351 5.267 ( 1.077 -3.883 0.343) 4.044 5.384 ( -3.610 16.148 1.316) 16.599 5.420 ( 0.063 12.537 -2.180) 12.725 5.604 ( 1.819 5.057 -0.105) 5.375 5.652 ( 0.070 0.090 -0.132) 0.174 5.751 ( -7.028 4.607 -2.344) 8.724 5.898 ( -3.998 1.696 -3.677) 5.690 5.986 ( 2.098 -4.880 0.141) 5.314 6.199 ( -2.105 -17.462 1.919) 17.692 6.276 ( 5.928 10.499 -1.687) 12.175 6.418 ( 8.839 -2.924 -3.079) 9.806 6.547 ( -3.167 10.041 6.096) 12.166 6.646 ( -2.243 5.427 5.020) 7.726 6.710 ( -1.028 -0.557 6.716) 6.817 6.728 ( -0.681 -3.595 1.238) 3.863 6.767 ( -2.500 3.833 2.330) 5.135 6.879 ( -3.794 -8.333 -0.355) 9.163 7.468 ( 1.919 0.635 -9.265) 9.483 7.494 ( 3.445 -1.937 -5.246) 6.568 7.567 ( -2.646 3.170 -5.949) 7.242 7.616 ( -0.611 -2.549 -6.710) 7.204 7.874 ( 3.050 7.536 1.358) 8.243 7.948 ( 0.002 4.274 -4.931) 6.525 8.016 ( 1.137 -5.323 -1.650) 5.688 8.069 ( 0.853 -5.974 -6.048) 8.544 8.244 ( -5.651 3.668 4.037) 7.854 8.289 ( -3.408 0.847 1.469) 3.807 8.371 ( -9.044 3.307 -5.391) 11.036 8.424 ( -6.351 -0.871 -2.692) 6.953 8.870 ( 3.564 5.853 -0.184) 6.855 8.919 ( 2.681 -0.414 0.614) 2.781 9.020 ( 4.190 4.505 -2.346) 6.584 9.100 ( -1.100 -3.347 -3.989) 5.322 9.217 ( 14.448 9.471 10.851) 20.401 9.295 ( 6.994 0.842 4.664) 8.449 9.420 ( 0.597 18.394 1.679) 18.480 9.722 ( -4.671 -10.044 0.373) 11.083 9.848 ( 7.385 6.458 3.708) 10.488 10.034 ( 9.180 -10.977 0.637) 14.324 10.307 ( -7.014 15.754 8.299) 19.138 10.334 ( 16.421 5.686 -3.509) 17.728 10.403 ( 10.924 -0.384 -6.082) 12.509 10.561 ( -3.976 -7.533 8.225) 11.841 11.020 ( -5.738 14.524 -6.996) 17.112 11.147 ( -7.000 1.894 -10.623) 12.862 11.311 ( -1.653 22.038 4.070) 22.472 11.423 ( 0.228 12.856 4.199) 13.526 11.569 ( -5.475 2.063 6.089) 8.444 11.614 ( -3.524 -1.155 -3.666) 5.215 11.799 ( 1.666 9.782 -3.260) 10.445 11.866 ( -2.186 6.498 -4.060) 7.968 12.106 ( -8.729 5.863 6.971) 12.616 12.146 ( -11.817 1.400 6.875) 13.743 12.249 ( 2.674 1.750 1.082) 3.374 12.275 ( 1.526 0.689 1.961) 2.579 12.519 ( 1.120 -16.819 -2.295) 17.011 12.584 ( -0.623 -17.622 0.567) 17.642 12.693 ( 3.761 12.350 1.492) 12.996 12.877 ( -3.371 10.545 -3.321) 11.558 13.026 ( 2.385 -13.965 1.410) 14.237 13.135 ( -2.083 -13.650 -3.610) 14.272 14.204 ( 1.066 11.962 -6.402) 13.609 14.336 ( -3.973 10.399 -6.218) 12.751 14.449 ( 1.388 -9.002 -4.479) 10.150 14.522 ( 0.189 -2.445 -4.623) 5.233 14.877 ( 3.666 9.287 2.985) 10.421 15.116 ( -6.544 14.363 2.145) 15.929 15.225 ( 3.551 -21.464 3.085) 21.973 15.401 ( -2.130 -11.647 -1.781) 11.974 16.150 ( 8.595 6.607 -13.446) 17.272 16.352 ( 9.000 -9.740 -14.771) 19.851 16.610 ( -5.189 1.240 -14.494) 15.445 16.725 ( -3.149 -8.097 -14.120) 16.579 17.042 ( 4.935 9.320 15.527) 18.769 17.253 ( 1.165 -10.927 13.188) 17.167 17.318 ( -5.342 2.337 13.276) 14.500 17.410 ( -4.015 -5.947 11.450) 13.513 ======================= Grid point 67 (30/60) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -1.088 3.496 4.165) 5.546 2.085 ( 1.088 3.496 4.165) 5.546 2.123 ( -3.420 -0.815 2.369) 4.240 2.123 ( 3.420 -0.815 2.369) 4.240 2.387 ( -7.265 5.813 2.187) 9.558 2.387 ( 7.265 5.813 2.187) 9.558 2.487 ( -6.193 -4.080 -1.230) 7.518 2.487 ( 6.193 -4.080 -1.230) 7.518 2.728 ( -4.018 6.289 3.189) 8.116 2.728 ( 4.018 6.289 3.189) 8.116 2.858 ( -0.621 -4.812 2.282) 5.361 2.858 ( 0.621 -4.812 2.282) 5.361 3.283 ( -3.604 2.650 0.565) 4.509 3.283 ( 3.604 2.650 0.565) 4.509 3.396 ( -3.128 -6.559 1.488) 7.417 3.396 ( 3.128 -6.559 1.488) 7.417 3.822 ( -5.941 2.441 -0.557) 6.447 3.822 ( 5.941 2.441 -0.557) 6.447 3.919 ( -8.998 -5.713 3.369) 11.178 3.919 ( 8.998 -5.713 3.369) 11.178 4.293 ( -3.044 7.826 0.537) 8.414 4.293 ( 3.044 7.826 0.537) 8.414 4.433 ( -2.596 -5.379 -1.409) 6.137 4.433 ( 2.596 -5.379 -1.409) 6.137 4.757 ( -5.948 3.281 -0.177) 6.795 4.757 ( 5.948 3.281 -0.177) 6.795 4.813 ( -5.536 -3.519 -1.259) 6.679 4.813 ( 5.536 -3.519 -1.259) 6.679 5.129 ( -4.309 12.769 1.496) 13.559 5.129 ( 4.309 12.769 1.496) 13.559 5.253 ( -2.106 0.625 -1.127) 2.469 5.253 ( 2.106 0.625 -1.127) 2.469 5.386 ( -3.047 13.875 1.195) 14.256 5.386 ( 3.047 13.875 1.195) 14.256 5.599 ( -2.254 -2.561 -1.345) 3.667 5.599 ( 2.254 -2.561 -1.345) 3.667 5.788 ( -6.012 9.233 -2.808) 11.370 5.788 ( 6.012 9.233 -2.808) 11.370 6.094 ( -6.855 -17.382 0.352) 18.689 6.094 ( 6.855 -17.382 0.352) 18.689 6.428 ( -7.189 12.132 0.272) 14.105 6.428 ( 7.189 12.132 0.272) 14.105 6.580 ( -4.620 1.873 3.777) 6.254 6.580 ( 4.620 1.873 3.777) 6.254 6.690 ( -0.728 0.271 6.244) 6.292 6.690 ( 0.728 0.271 6.244) 6.292 6.797 ( -3.880 -7.568 1.998) 8.736 6.797 ( 3.880 -7.568 1.998) 8.736 7.500 ( -1.397 4.470 -7.269) 8.647 7.500 ( 1.397 4.470 -7.269) 8.647 7.582 ( -2.619 -3.945 -4.952) 6.851 7.582 ( 2.619 -3.945 -4.952) 6.851 7.958 ( -2.156 5.829 -5.240) 8.129 7.958 ( 2.156 5.829 -5.240) 8.129 8.046 ( -1.829 -1.291 -1.416) 2.649 8.046 ( 1.829 -1.291 -1.416) 2.649 8.201 ( -1.812 3.281 -3.198) 4.927 8.201 ( 1.812 3.281 -3.198) 4.927 8.291 ( -4.277 -3.668 -1.510) 5.833 8.291 ( 4.277 -3.668 -1.510) 5.833 8.978 ( -3.613 5.332 -1.990) 6.741 8.978 ( 3.613 5.332 -1.990) 6.741 9.026 ( -3.537 -0.841 -1.843) 4.076 9.026 ( 3.537 -0.841 -1.843) 4.076 9.404 ( -2.416 12.063 3.047) 12.675 9.404 ( 2.416 12.063 3.047) 12.675 9.551 ( -13.191 -1.068 6.425) 14.711 9.551 ( 13.191 -1.068 6.425) 14.711 10.031 ( -11.250 11.418 7.654) 17.763 10.031 ( 11.250 11.418 7.654) 17.763 10.311 ( -13.466 -14.419 4.790) 20.303 10.311 ( 13.466 -14.419 4.790) 20.303 10.749 ( -5.023 10.648 -8.935) 14.780 10.749 ( 5.023 10.648 -8.935) 14.780 10.864 ( -9.242 -1.038 -9.905) 13.587 10.864 ( 9.242 -1.038 -9.905) 13.587 11.333 ( -4.768 20.242 2.963) 21.006 11.333 ( 4.768 20.242 2.963) 21.006 11.539 ( -2.706 3.458 5.270) 6.859 11.539 ( 2.706 3.458 5.270) 6.859 11.868 ( -1.915 11.129 -0.886) 11.327 11.868 ( 1.915 11.129 -0.886) 11.327 11.969 ( -0.848 -2.138 6.881) 7.255 11.969 ( 0.848 -2.138 6.881) 7.255 12.289 ( -0.713 1.292 0.497) 1.557 12.289 ( 0.713 1.292 0.497) 1.557 12.553 ( -1.910 -18.509 -0.633) 18.618 12.553 ( 1.910 -18.509 -0.633) 18.618 12.789 ( -5.073 12.933 -1.735) 14.000 12.789 ( 5.073 12.933 -1.735) 14.000 13.080 ( -2.935 -14.931 -1.439) 15.284 13.080 ( 2.935 -14.931 -1.439) 15.284 14.252 ( -3.566 14.257 -5.837) 15.813 14.252 ( 3.566 14.257 -5.837) 15.813 14.495 ( -2.336 -8.989 -5.466) 10.777 14.495 ( 2.336 -8.989 -5.466) 10.777 14.982 ( -6.209 13.546 3.117) 15.224 14.982 ( 6.209 13.546 3.117) 15.224 15.318 ( -5.051 -19.004 1.248) 19.703 15.318 ( 5.051 -19.004 1.248) 19.703 16.362 ( -9.449 11.278 -16.221) 21.899 16.362 ( 9.449 11.278 -16.221) 21.899 16.617 ( -6.655 -13.741 -14.329) 20.939 16.617 ( 6.655 -13.741 -14.329) 20.939 17.169 ( -7.029 6.102 14.826) 17.506 17.169 ( 7.029 6.102 14.826) 17.506 17.321 ( -3.937 -8.857 13.610) 16.709 17.321 ( 3.937 -8.857 13.610) 16.709 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 0.000 26.232) 26.232 1.415 ( 0.000 0.000 29.483) 29.483 2.062 ( 0.000 0.000 10.532) 10.532 2.175 ( 0.000 0.000 7.278) 7.278 2.196 ( 0.000 0.000 40.181) 40.181 2.258 ( 0.000 0.000 7.190) 7.190 2.319 ( 0.000 0.000 4.228) 4.228 2.394 ( 0.000 0.000 -14.209) 14.209 2.413 ( 0.000 0.000 4.989) 4.989 2.527 ( 0.000 0.000 -5.103) 5.103 2.899 ( 0.000 0.000 -4.218) 4.218 2.937 ( 0.000 0.000 2.770) 2.770 2.986 ( 0.000 0.000 -0.738) 0.738 3.007 ( 0.000 0.000 -4.284) 4.284 3.195 ( 0.000 0.000 -2.694) 2.694 3.221 ( 0.000 0.000 -2.072) 2.072 3.316 ( 0.000 0.000 0.082) 0.082 3.440 ( 0.000 0.000 -5.804) 5.804 3.467 ( 0.000 0.000 -1.354) 1.354 3.618 ( 0.000 0.000 7.488) 7.488 3.688 ( 0.000 0.000 -2.582) 2.582 3.873 ( 0.000 0.000 3.860) 3.860 4.080 ( 0.000 0.000 6.439) 6.439 4.137 ( 0.000 0.000 -3.351) 3.351 4.145 ( 0.000 0.000 -9.176) 9.176 4.558 ( 0.000 0.000 -4.722) 4.722 4.711 ( 0.000 0.000 -9.315) 9.315 4.835 ( 0.000 0.000 -7.274) 7.274 4.871 ( 0.000 0.000 1.285) 1.285 4.946 ( 0.000 0.000 -2.530) 2.530 4.975 ( 0.000 0.000 -8.428) 8.428 5.063 ( 0.000 0.000 -3.554) 3.554 5.085 ( 0.000 0.000 0.227) 0.227 5.159 ( 0.000 0.000 5.480) 5.480 5.302 ( 0.000 0.000 -3.498) 3.498 5.414 ( 0.000 0.000 -5.814) 5.814 5.512 ( 0.000 0.000 -0.605) 0.605 5.730 ( 0.000 0.000 4.743) 4.743 5.774 ( 0.000 0.000 3.252) 3.252 5.801 ( 0.000 0.000 8.130) 8.130 5.967 ( 0.000 0.000 0.343) 0.343 6.124 ( 0.000 0.000 -5.971) 5.971 6.249 ( 0.000 0.000 6.874) 6.874 6.326 ( 0.000 0.000 8.900) 8.900 6.569 ( 0.000 0.000 -5.813) 5.813 6.614 ( 0.000 0.000 9.346) 9.346 6.670 ( 0.000 0.000 0.325) 0.325 6.728 ( 0.000 0.000 10.418) 10.418 6.813 ( 0.000 0.000 2.140) 2.140 7.015 ( 0.000 0.000 5.903) 5.903 7.020 ( 0.000 0.000 19.090) 19.090 7.597 ( 0.000 0.000 -8.501) 8.501 7.698 ( 0.000 0.000 -4.722) 4.722 7.860 ( 0.000 0.000 -3.608) 3.608 7.868 ( 0.000 0.000 -1.138) 1.138 7.897 ( 0.000 0.000 -1.773) 1.773 7.989 ( 0.000 0.000 -10.930) 10.930 8.150 ( 0.000 0.000 -13.452) 13.452 8.254 ( 0.000 0.000 -4.922) 4.922 8.274 ( 0.000 0.000 4.840) 4.840 8.446 ( 0.000 0.000 -8.891) 8.891 8.494 ( 0.000 0.000 4.192) 4.192 8.527 ( 0.000 0.000 -2.318) 2.318 8.539 ( 0.000 0.000 0.200) 0.200 8.691 ( 0.000 0.000 8.814) 8.814 8.941 ( 0.000 0.000 9.450) 9.450 8.956 ( 0.000 0.000 -3.294) 3.294 9.030 ( 0.000 0.000 -1.597) 1.597 9.189 ( 0.000 0.000 -5.441) 5.441 9.522 ( 0.000 0.000 -17.302) 17.302 9.988 ( 0.000 0.000 2.648) 2.648 9.999 ( 0.000 0.000 -5.138) 5.138 10.137 ( 0.000 0.000 -4.459) 4.459 10.232 ( 0.000 0.000 -7.686) 7.686 10.379 ( 0.000 0.000 1.746) 1.746 10.534 ( 0.000 0.000 10.929) 10.929 10.538 ( 0.000 0.000 2.702) 2.702 10.623 ( 0.000 0.000 7.960) 7.960 11.025 ( 0.000 0.000 -1.929) 1.929 11.056 ( 0.000 0.000 -15.186) 15.186 11.120 ( 0.000 0.000 -10.554) 10.554 11.121 ( 0.000 0.000 -2.476) 2.476 11.166 ( 0.000 0.000 -4.436) 4.436 11.196 ( 0.000 0.000 -2.010) 2.010 12.592 ( 0.000 0.000 11.248) 11.248 12.713 ( 0.000 0.000 -0.858) 0.858 12.733 ( 0.000 0.000 7.952) 7.952 12.747 ( 0.000 0.000 -1.645) 1.645 13.166 ( 0.000 0.000 15.395) 15.395 13.359 ( 0.000 0.000 6.567) 6.567 13.436 ( 0.000 0.000 1.475) 1.475 13.771 ( 0.000 0.000 3.447) 3.447 13.776 ( 0.000 0.000 6.099) 6.099 13.979 ( 0.000 0.000 -2.558) 2.558 14.106 ( 0.000 0.000 -7.098) 7.098 14.742 ( 0.000 0.000 -12.002) 12.002 14.808 ( 0.000 0.000 -17.936) 17.936 14.870 ( 0.000 0.000 -0.792) 0.792 15.460 ( 0.000 0.000 9.617) 9.617 15.972 ( 0.000 0.000 5.086) 5.086 16.182 ( 0.000 0.000 -8.261) 8.261 16.372 ( 0.000 0.000 -4.325) 4.325 17.063 ( 0.000 0.000 8.524) 8.524 17.260 ( 0.000 0.000 -3.012) 3.012 17.375 ( 0.000 0.000 3.004) 3.004 17.674 ( 0.000 0.000 -2.933) 2.933 17.872 ( 0.000 0.000 7.828) 7.828 18.042 ( 0.000 0.000 3.465) 3.465 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 8.603 0.000 23.581) 25.102 1.402 ( 4.240 0.000 28.666) 28.978 1.806 ( -16.025 0.000 13.689) 21.076 2.024 ( -14.412 0.000 8.551) 16.758 2.303 ( 1.179 0.000 5.895) 6.012 2.323 ( 0.612 0.000 8.548) 8.570 2.404 ( 3.695 0.000 -7.686) 8.528 2.457 ( 6.166 0.000 -6.257) 8.785 2.512 ( 14.045 0.000 17.178) 22.189 2.647 ( 7.927 0.000 -1.971) 8.169 2.842 ( -0.436 0.000 -0.793) 0.905 2.855 ( -4.660 0.000 -2.722) 5.397 2.975 ( -2.150 0.000 2.331) 3.172 3.050 ( -1.001 0.000 -1.139) 1.516 3.108 ( -12.552 0.000 -5.953) 13.892 3.144 ( -9.617 0.000 -2.476) 9.930 3.206 ( 2.591 0.000 -4.285) 5.007 3.387 ( -4.207 0.000 -4.867) 6.434 3.530 ( 16.052 0.000 15.444) 22.275 3.666 ( 4.198 0.000 7.416) 8.522 3.887 ( -1.739 0.000 6.958) 7.172 3.945 ( 11.299 0.000 0.057) 11.299 4.014 ( -0.638 0.000 0.212) 0.672 4.156 ( -0.992 0.000 0.380) 1.062 4.193 ( 4.181 0.000 -9.147) 10.057 4.539 ( -3.638 0.000 -4.918) 6.117 4.645 ( -4.488 0.000 -6.803) 8.150 4.867 ( 3.002 0.000 -8.039) 8.581 4.898 ( -14.128 0.000 7.327) 15.915 4.941 ( 4.905 0.000 2.200) 5.376 4.977 ( -0.407 0.000 -8.324) 8.334 5.009 ( -7.179 0.000 9.085) 11.579 5.058 ( -6.450 0.000 -1.105) 6.544 5.119 ( 3.367 0.000 -1.002) 3.512 5.160 ( -5.327 0.000 11.290) 12.484 5.345 ( -5.797 0.000 -4.695) 7.460 5.422 ( 5.924 0.000 -7.176) 9.305 5.614 ( -2.050 0.000 -17.170) 17.292 5.791 ( 5.341 0.000 3.957) 6.647 5.944 ( 3.464 0.000 -7.506) 8.266 6.048 ( -6.313 0.000 0.221) 6.317 6.220 ( -6.654 0.000 2.887) 7.253 6.339 ( 8.654 0.000 2.644) 9.049 6.399 ( 22.419 0.000 8.539) 23.990 6.597 ( 1.187 0.000 2.641) 2.896 6.644 ( 3.256 0.000 2.469) 4.086 6.689 ( -4.476 0.000 9.262) 10.287 6.734 ( -2.384 0.000 2.506) 3.459 6.762 ( 4.777 0.000 -2.772) 5.523 6.973 ( -4.699 0.000 4.357) 6.408 7.182 ( 11.258 0.000 15.151) 18.876 7.568 ( -0.648 0.000 -5.279) 5.318 7.696 ( -10.472 0.000 6.525) 12.339 7.707 ( -0.953 0.000 -4.692) 4.788 7.824 ( 0.795 0.000 0.144) 0.808 7.870 ( -8.999 0.000 -6.765) 11.258 7.933 ( -0.357 0.000 -2.767) 2.790 8.122 ( -2.785 0.000 -8.497) 8.941 8.138 ( -12.023 0.000 5.513) 13.227 8.268 ( -0.395 0.000 -6.870) 6.881 8.380 ( -4.992 0.000 -3.611) 6.161 8.510 ( 9.048 0.000 -7.127) 11.518 8.545 ( -0.842 0.000 -4.065) 4.151 8.699 ( 11.435 0.000 4.083) 12.142 8.792 ( 7.923 0.000 -2.657) 8.357 8.939 ( -3.854 0.000 0.300) 3.866 8.984 ( -2.007 0.000 -4.324) 4.767 9.098 ( 9.590 0.000 5.704) 11.158 9.179 ( -2.189 0.000 -5.993) 6.380 9.465 ( -5.847 0.000 -4.922) 7.643 9.873 ( -3.869 0.000 3.187) 5.013 9.903 ( -2.152 0.000 1.401) 2.568 10.197 ( -7.876 0.000 -4.296) 8.972 10.267 ( -12.228 0.000 8.528) 14.908 10.341 ( 8.999 0.000 -2.867) 9.445 10.447 ( 9.463 0.000 -4.828) 10.623 10.615 ( 6.406 0.000 -1.391) 6.555 10.704 ( -0.874 0.000 2.496) 2.644 10.961 ( -7.276 0.000 -10.638) 12.888 11.035 ( 1.033 0.000 -1.867) 2.134 11.066 ( -6.005 0.000 -11.105) 12.624 11.095 ( -1.977 0.000 -3.012) 3.603 11.168 ( 1.265 0.000 -2.211) 2.547 11.214 ( 0.382 0.000 -2.444) 2.474 12.691 ( 5.588 0.000 9.499) 11.020 12.712 ( 0.959 0.000 0.187) 0.977 12.767 ( 0.525 0.000 -0.352) 0.632 12.773 ( 2.752 0.000 8.319) 8.762 13.192 ( 3.404 0.000 9.214) 9.823 13.352 ( -1.219 0.000 4.572) 4.731 13.474 ( 3.627 0.000 4.273) 5.605 13.692 ( -6.126 0.000 6.072) 8.625 13.801 ( 2.868 0.000 2.022) 3.509 13.950 ( -2.768 0.000 -2.102) 3.475 14.231 ( 9.926 0.000 -9.806) 13.953 14.675 ( -9.233 0.000 -24.039) 25.751 14.747 ( -0.627 0.000 -0.536) 0.825 14.841 ( -2.974 0.000 0.971) 3.128 15.537 ( 6.260 0.000 4.867) 7.929 15.827 ( -8.171 0.000 1.233) 8.263 16.365 ( 9.792 0.000 -5.631) 11.296 16.419 ( 3.956 0.000 -3.766) 5.462 17.062 ( 0.267 0.000 5.475) 5.481 17.189 ( -5.286 0.000 -2.036) 5.665 17.422 ( 3.361 0.000 2.789) 4.367 17.600 ( -5.340 0.000 1.608) 5.577 17.921 ( 3.400 0.000 6.171) 7.046 18.026 ( -1.479 0.000 4.594) 4.826 ======================= Grid point 92 (33/60) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -14.154 0.000 18.346) 23.172 1.492 ( 14.154 0.000 18.346) 23.172 1.659 ( -18.651 0.000 16.813) 25.110 1.659 ( 18.651 0.000 16.813) 25.110 2.318 ( -0.817 0.000 4.038) 4.120 2.318 ( 0.817 0.000 4.038) 4.120 2.473 ( -3.022 0.000 -10.361) 10.792 2.473 ( 3.022 0.000 -10.361) 10.792 2.715 ( -3.985 0.000 3.516) 5.314 2.715 ( 3.985 0.000 3.516) 5.314 2.864 ( -6.363 0.000 -5.015) 8.102 2.864 ( 6.363 0.000 -5.015) 8.102 2.942 ( -7.657 0.000 2.411) 8.028 2.942 ( 7.657 0.000 2.411) 8.028 3.010 ( -4.955 0.000 0.225) 4.960 3.010 ( 4.955 0.000 0.225) 4.960 3.293 ( -4.815 0.000 -4.699) 6.728 3.293 ( 4.815 0.000 -4.699) 6.728 3.778 ( -6.407 0.000 7.496) 9.861 3.778 ( 6.407 0.000 7.496) 9.861 3.945 ( -17.112 0.000 18.961) 25.541 3.945 ( 17.112 0.000 18.961) 25.541 4.088 ( -4.970 0.000 0.418) 4.988 4.088 ( 4.970 0.000 0.418) 4.988 4.306 ( -11.124 0.000 -3.049) 11.534 4.306 ( 11.124 0.000 -3.049) 11.534 4.612 ( -3.697 0.000 -1.445) 3.970 4.612 ( 3.697 0.000 -1.445) 3.970 4.939 ( -3.270 0.000 -8.574) 9.177 4.939 ( 3.270 0.000 -8.574) 9.177 4.991 ( -1.426 0.000 -0.516) 1.517 4.991 ( 1.426 0.000 -0.516) 1.517 5.083 ( -4.796 0.000 7.889) 9.232 5.083 ( 4.796 0.000 7.889) 9.232 5.217 ( -5.999 0.000 -2.945) 6.683 5.217 ( 5.999 0.000 -2.945) 6.683 5.543 ( -5.131 0.000 -11.780) 12.848 5.543 ( 5.131 0.000 -11.780) 12.848 5.916 ( -6.412 0.000 3.005) 7.081 5.916 ( 6.412 0.000 3.005) 7.081 6.058 ( -7.528 0.000 -6.972) 10.260 6.058 ( 7.528 0.000 -6.972) 10.260 6.541 ( -9.557 0.000 5.212) 10.886 6.541 ( 9.557 0.000 5.212) 10.886 6.616 ( -0.173 0.000 0.573) 0.598 6.616 ( 0.173 0.000 0.573) 0.598 6.760 ( -3.464 0.000 -3.339) 4.811 6.760 ( 3.464 0.000 -3.339) 4.811 6.813 ( -11.213 0.000 5.552) 12.512 6.813 ( 11.213 0.000 5.552) 12.512 7.440 ( -14.092 0.000 12.069) 18.553 7.440 ( 14.092 0.000 12.069) 18.553 7.626 ( -5.531 0.000 -1.140) 5.647 7.626 ( 5.531 0.000 -1.140) 5.647 7.882 ( -3.540 0.000 -1.789) 3.966 7.882 ( 3.540 0.000 -1.789) 3.966 7.884 ( -10.088 0.000 2.204) 10.326 7.884 ( 10.088 0.000 2.204) 10.326 8.141 ( -5.763 0.000 -4.964) 7.606 8.141 ( 5.763 0.000 -4.964) 7.606 8.468 ( -6.418 0.000 -9.400) 11.382 8.468 ( 6.418 0.000 -9.400) 11.382 8.724 ( -10.789 0.000 -4.175) 11.568 8.724 ( 10.789 0.000 -4.175) 11.568 8.884 ( -5.728 0.000 -0.498) 5.750 8.884 ( 5.728 0.000 -0.498) 5.750 9.061 ( -8.753 0.000 -6.131) 10.687 9.061 ( 8.753 0.000 -6.131) 10.687 9.284 ( -9.727 0.000 5.993) 11.426 9.284 ( 9.727 0.000 5.993) 11.426 9.978 ( -11.159 0.000 -1.260) 11.230 9.978 ( 11.159 0.000 -1.260) 11.230 9.992 ( -10.430 0.000 9.137) 13.866 9.992 ( 10.430 0.000 9.137) 13.866 10.575 ( -10.363 0.000 -4.066) 11.132 10.575 ( 10.363 0.000 -4.066) 11.132 10.653 ( -7.293 0.000 -9.181) 11.725 10.653 ( 7.293 0.000 -9.181) 11.725 10.911 ( -6.352 0.000 -6.696) 9.230 10.911 ( 6.352 0.000 -6.696) 9.230 11.062 ( -1.426 0.000 -1.965) 2.429 11.062 ( 1.426 0.000 -1.965) 2.429 11.201 ( -1.452 0.000 -2.040) 2.504 11.201 ( 1.452 0.000 -2.040) 2.504 12.749 ( -1.983 0.000 1.052) 2.245 12.749 ( 1.983 0.000 1.052) 2.245 12.773 ( -2.589 0.000 9.838) 10.173 12.773 ( 2.589 0.000 9.838) 10.173 13.290 ( -4.778 0.000 3.526) 5.938 13.290 ( 4.778 0.000 3.526) 5.938 13.571 ( -5.497 0.000 6.043) 8.170 13.571 ( 5.497 0.000 6.043) 8.170 13.876 ( -4.086 0.000 -0.522) 4.119 13.876 ( 4.086 0.000 -0.522) 4.119 14.454 ( -11.405 0.000 -16.551) 20.100 14.454 ( 11.405 0.000 -16.551) 20.100 14.773 ( -2.884 0.000 0.934) 3.031 14.773 ( 2.884 0.000 0.934) 3.031 15.676 ( -7.018 0.000 0.853) 7.070 15.676 ( 7.018 0.000 0.853) 7.070 16.472 ( -0.817 0.000 -3.740) 3.828 16.472 ( 0.817 0.000 -3.740) 3.828 17.094 ( -3.255 0.000 0.146) 3.259 17.094 ( 3.255 0.000 0.146) 3.259 17.499 ( -4.331 0.000 3.732) 5.717 17.499 ( 4.331 0.000 3.732) 5.717 17.984 ( -2.614 0.000 5.753) 6.319 17.984 ( 2.614 0.000 5.753) 6.319 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 5.841 27.210) 27.830 1.514 ( 0.000 23.890 20.242) 31.313 2.182 ( 0.000 0.977 8.209) 8.267 2.262 ( 0.000 12.057 5.707) 13.339 2.302 ( 0.000 -1.542 2.978) 3.353 2.339 ( 0.000 16.547 29.312) 33.660 2.350 ( 0.000 1.443 4.691) 4.908 2.366 ( 0.000 2.517 -0.781) 2.635 2.548 ( 0.000 5.907 -2.208) 6.306 2.660 ( 0.000 18.733 -3.867) 19.128 2.869 ( 0.000 3.198 1.331) 3.464 2.905 ( 0.000 -5.801 -2.335) 6.253 2.971 ( 0.000 1.764 -0.935) 1.996 3.133 ( 0.000 5.557 -0.994) 5.645 3.176 ( 0.000 -0.355 -0.814) 0.888 3.288 ( 0.000 4.112 2.098) 4.616 3.422 ( 0.000 16.969 -2.340) 17.129 3.447 ( 0.000 -0.771 -2.204) 2.335 3.610 ( 0.000 12.651 -5.384) 13.749 3.668 ( 0.000 0.706 0.472) 0.850 3.912 ( 0.000 24.360 2.957) 24.539 3.994 ( 0.000 3.527 -0.456) 3.557 4.210 ( 0.000 17.508 -0.135) 17.508 4.253 ( 0.000 14.287 4.416) 14.954 4.388 ( 0.000 18.354 -3.459) 18.677 4.480 ( 0.000 -8.879 -0.286) 8.883 4.672 ( 0.000 -3.131 -7.429) 8.062 4.752 ( 0.000 -2.652 -5.425) 6.038 4.832 ( 0.000 -2.505 3.686) 4.456 4.877 ( 0.000 -4.622 -2.908) 5.460 4.996 ( 0.000 1.550 -9.839) 9.960 5.026 ( 0.000 -3.903 -4.971) 6.320 5.117 ( 0.000 -0.444 -0.951) 1.050 5.276 ( 0.000 -1.240 -1.367) 1.845 5.277 ( 0.000 6.067 -0.497) 6.087 5.359 ( 0.000 -0.284 -3.141) 3.153 5.628 ( 0.000 -6.084 5.366) 8.112 5.652 ( 0.000 11.145 5.355) 12.365 5.745 ( 0.000 -0.814 -4.998) 5.063 5.780 ( 0.000 -1.228 4.890) 5.041 6.107 ( 0.000 9.255 4.449) 10.269 6.217 ( 0.000 5.214 -4.139) 6.658 6.333 ( 0.000 3.422 6.147) 7.035 6.428 ( 0.000 11.627 4.063) 12.316 6.578 ( 0.000 2.981 -6.532) 7.180 6.641 ( 0.000 3.935 9.566) 10.343 6.662 ( 0.000 -0.491 1.946) 2.007 6.800 ( 0.000 9.881 9.941) 14.017 6.856 ( 0.000 2.925 1.929) 3.504 7.099 ( 0.000 7.810 3.968) 8.760 7.197 ( 0.000 16.052 12.679) 20.456 7.620 ( 0.000 1.665 -11.005) 11.130 7.657 ( 0.000 -2.409 -3.887) 4.573 7.703 ( 0.000 -9.090 -4.052) 9.952 7.836 ( 0.000 -0.441 -3.560) 3.587 7.984 ( 0.000 7.708 -3.036) 8.285 8.115 ( 0.000 -0.225 -3.980) 3.987 8.137 ( 0.000 -0.912 -13.084) 13.115 8.283 ( 0.000 6.717 0.675) 6.750 8.369 ( 0.000 5.644 2.512) 6.178 8.421 ( 0.000 -0.939 -11.332) 11.371 8.450 ( 0.000 -3.394 5.394) 6.373 8.604 ( 0.000 7.851 1.992) 8.100 8.631 ( 0.000 12.141 -5.141) 13.185 8.773 ( 0.000 2.365 5.185) 5.698 8.941 ( 0.000 3.934 8.161) 9.059 9.116 ( 0.000 14.857 -3.139) 15.185 9.175 ( 0.000 12.849 -0.828) 12.875 9.224 ( 0.000 1.968 -6.103) 6.412 9.546 ( 0.000 3.664 -16.442) 16.846 9.910 ( 0.000 -3.162 3.069) 4.407 10.079 ( 0.000 6.491 -2.261) 6.874 10.253 ( 0.000 8.161 -1.284) 8.262 10.262 ( 0.000 3.994 -4.530) 6.039 10.360 ( 0.000 -1.260 1.197) 1.738 10.591 ( 0.000 5.524 0.224) 5.529 10.644 ( 0.000 10.557 11.464) 15.584 10.684 ( 0.000 5.454 10.598) 11.919 10.830 ( 0.000 -7.729 -6.914) 10.370 11.121 ( 0.000 2.401 -7.736) 8.100 11.200 ( 0.000 3.753 -2.141) 4.321 11.223 ( 0.000 7.692 -7.389) 10.666 11.233 ( 0.000 11.378 -6.821) 13.266 11.372 ( 0.000 13.804 -5.581) 14.890 12.558 ( 0.000 -0.171 5.773) 5.775 12.680 ( 0.000 -3.763 4.049) 5.528 12.755 ( 0.000 2.489 4.467) 5.113 12.790 ( 0.000 1.034 7.932) 7.999 13.192 ( 0.000 0.271 7.064) 7.069 13.328 ( 0.000 -2.887 5.649) 6.344 13.369 ( 0.000 -6.578 0.980) 6.651 13.721 ( 0.000 -4.984 1.025) 5.088 13.726 ( 0.000 -2.715 0.365) 2.739 14.090 ( 0.000 9.128 2.837) 9.558 14.120 ( 0.000 1.013 -6.948) 7.022 14.740 ( 0.000 -1.359 -4.139) 4.356 14.810 ( 0.000 1.535 -23.915) 23.964 14.846 ( 0.000 -2.277 -1.310) 2.627 15.413 ( 0.000 -4.759 9.735) 10.835 15.980 ( 0.000 1.021 -0.151) 1.032 16.114 ( 0.000 -6.929 -7.675) 10.340 16.328 ( 0.000 -4.407 -5.207) 6.822 17.049 ( 0.000 -1.473 7.152) 7.302 17.185 ( 0.000 -7.919 -3.022) 8.476 17.300 ( 0.000 -7.136 4.355) 8.360 17.628 ( 0.000 -3.904 -1.075) 4.050 17.852 ( 0.000 -2.003 7.727) 7.982 17.989 ( 0.000 -4.898 4.868) 6.906 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 4.962 8.183 24.833) 26.613 1.639 ( 7.884 24.909 17.358) 31.368 2.036 ( -13.140 8.694 8.657) 17.977 2.085 ( -12.029 13.193 8.975) 19.982 2.289 ( 0.184 -0.628 3.684) 3.742 2.299 ( -0.850 -1.295 4.801) 5.045 2.454 ( 4.311 2.176 -3.787) 6.137 2.549 ( 11.225 6.512 14.846) 19.719 2.646 ( -1.611 11.463 -4.817) 12.538 2.657 ( 5.726 2.493 -0.757) 6.291 2.800 ( -3.023 -4.359 -2.707) 5.955 2.915 ( 3.228 9.896 0.638) 10.429 2.988 ( 0.460 1.960 -0.190) 2.022 3.089 ( -10.513 0.378 -3.727) 11.161 3.123 ( -6.803 3.999 -1.794) 8.093 3.189 ( -5.461 9.443 -2.438) 11.178 3.372 ( 7.271 7.214 3.847) 10.942 3.499 ( 5.532 9.592 2.027) 11.257 3.597 ( 3.676 11.989 2.073) 12.710 3.895 ( 7.263 13.687 6.503) 16.804 3.950 ( 5.562 8.191 1.865) 10.075 4.108 ( 9.207 3.827 -3.980) 10.736 4.130 ( -5.795 18.724 5.747) 20.425 4.267 ( -0.412 16.348 0.782) 16.371 4.309 ( -3.736 4.805 -1.564) 6.284 4.542 ( -0.342 2.553 -1.026) 2.773 4.608 ( -4.906 -1.495 -4.772) 7.006 4.739 ( 0.777 -6.263 -4.436) 7.714 4.841 ( -3.840 -7.035 -2.021) 8.266 4.892 ( -0.546 -1.290 -2.213) 2.618 4.951 ( 2.014 -0.755 3.931) 4.481 5.068 ( -6.828 2.796 2.758) 7.877 5.082 ( -11.412 0.015 4.534) 12.280 5.165 ( -0.336 2.207 1.733) 2.826 5.253 ( -2.521 9.178 0.598) 9.537 5.298 ( -4.048 -3.081 -5.634) 7.590 5.406 ( 7.920 -0.958 -6.353) 10.198 5.682 ( -2.510 4.781 -13.356) 14.407 5.744 ( 5.284 -2.262 -1.393) 5.914 5.997 ( -4.468 3.559 -1.705) 5.962 6.141 ( 4.030 3.956 -2.530) 6.187 6.241 ( 0.049 3.313 7.393) 8.101 6.331 ( 4.516 5.309 3.365) 7.739 6.504 ( 8.912 3.155 3.445) 10.062 6.608 ( 1.638 4.069 6.383) 7.745 6.644 ( 2.098 2.339 0.446) 3.173 6.744 ( -0.021 3.902 3.024) 4.937 6.800 ( -3.218 5.431 0.279) 6.319 6.865 ( 7.905 11.867 3.958) 14.798 7.089 ( -1.551 9.791 0.271) 9.917 7.299 ( 8.009 11.664 11.187) 18.037 7.542 ( -3.810 -3.242 -6.565) 8.254 7.646 ( -2.314 -2.851 -2.045) 4.203 7.681 ( -1.172 -0.503 0.122) 1.281 7.828 ( -2.272 0.130 -2.641) 3.486 7.914 ( -2.780 3.610 -1.074) 4.681 7.991 ( -9.306 0.818 -1.274) 9.428 8.100 ( -9.200 1.912 -1.125) 9.463 8.147 ( -3.368 -0.873 -4.925) 6.030 8.287 ( -5.078 3.542 -4.135) 7.445 8.405 ( -0.003 0.859 -4.538) 4.619 8.532 ( -0.150 2.850 -1.406) 3.182 8.623 ( 8.390 8.574 -8.213) 14.538 8.823 ( 11.607 9.710 3.134) 15.454 8.920 ( 6.929 9.959 -0.055) 12.133 9.001 ( 7.385 -4.440 0.858) 8.660 9.074 ( -3.206 13.297 -0.173) 13.679 9.123 ( -2.217 11.480 -3.033) 12.079 9.269 ( 0.043 6.135 -0.354) 6.146 9.486 ( -6.651 4.499 -6.728) 10.476 9.872 ( 2.127 2.102 3.560) 4.649 10.017 ( -3.677 9.541 0.815) 10.257 10.176 ( -8.674 -0.033 -0.418) 8.684 10.358 ( 8.354 2.884 -3.978) 9.692 10.406 ( -12.324 10.658 8.645) 18.445 10.491 ( 10.115 4.196 -2.887) 11.325 10.611 ( 0.830 1.680 -4.489) 4.865 10.818 ( 1.006 -1.540 -4.592) 4.947 10.834 ( 2.708 5.166 2.548) 6.365 11.082 ( -4.223 3.986 -8.806) 10.548 11.161 ( -3.642 4.652 -5.076) 7.789 11.183 ( -1.413 6.170 -1.977) 6.631 11.261 ( 1.621 11.425 -5.262) 12.683 11.346 ( -1.982 12.639 -3.920) 13.380 12.593 ( 2.202 -4.881 5.264) 7.508 12.676 ( -1.165 -3.295 3.571) 4.997 12.783 ( 4.204 -0.007 8.115) 9.139 12.844 ( 2.552 3.523 7.221) 8.430 13.196 ( 1.396 -0.985 3.881) 4.241 13.318 ( -1.420 -3.263 3.486) 4.982 13.407 ( 3.510 -6.273 3.167) 7.855 13.628 ( -6.090 -4.906 2.150) 8.111 13.779 ( 3.394 -2.256 0.162) 4.078 13.983 ( -5.461 2.181 -1.882) 6.174 14.284 ( 9.960 4.963 -5.495) 12.411 14.700 ( -8.809 1.597 -17.792) 19.917 14.735 ( -0.125 -0.254 -4.592) 4.601 14.817 ( -2.683 -2.145 0.093) 3.437 15.499 ( 6.975 -3.737 4.522) 9.114 15.819 ( -8.787 -0.808 -1.647) 8.977 16.291 ( 8.944 -7.219 -5.748) 12.851 16.364 ( 2.868 -5.502 -4.598) 7.723 17.044 ( -0.212 -2.051 4.094) 4.584 17.127 ( -4.130 -6.427 -2.323) 7.985 17.355 ( 4.110 -6.323 4.334) 8.698 17.559 ( -5.352 -3.541 2.656) 6.946 17.892 ( 2.849 -2.875 6.550) 7.699 17.978 ( -1.087 -4.559 5.497) 7.224 ======================= Grid point 97 (36/60) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -17.449 7.345 14.186) 23.657 1.704 ( 17.449 7.345 14.186) 23.657 1.834 ( -11.115 23.225 13.691) 29.161 1.834 ( 11.115 23.225 13.691) 29.161 2.295 ( -0.176 -1.387 3.311) 3.594 2.295 ( 0.176 -1.387 3.311) 3.594 2.543 ( -5.009 2.560 -6.727) 8.769 2.543 ( 5.009 2.560 -6.727) 8.769 2.691 ( -2.680 -0.903 2.737) 3.935 2.691 ( 2.680 -0.903 2.737) 3.935 2.876 ( -7.393 3.283 -4.255) 9.140 2.876 ( 7.393 3.283 -4.255) 9.140 2.988 ( -3.969 1.296 0.081) 4.175 2.988 ( 3.969 1.296 0.081) 4.175 3.086 ( -5.107 12.453 1.019) 13.498 3.086 ( 5.107 12.453 1.019) 13.498 3.479 ( -3.662 14.486 -5.038) 15.768 3.479 ( 3.662 14.486 -5.038) 15.768 3.909 ( -14.051 4.680 15.485) 21.427 3.909 ( 14.051 4.680 15.485) 21.427 4.018 ( -4.232 15.463 9.074) 18.421 4.018 ( 4.232 15.463 9.074) 18.421 4.219 ( -2.491 2.321 -4.403) 5.566 4.219 ( 2.491 2.321 -4.403) 5.566 4.372 ( -11.675 11.730 4.699) 17.204 4.372 ( 11.675 11.730 4.699) 17.204 4.601 ( -5.083 1.656 0.235) 5.351 4.601 ( 5.083 1.656 0.235) 5.351 4.814 ( -3.850 -6.798 -5.093) 9.325 4.814 ( 3.850 -6.798 -5.093) 9.325 4.986 ( -0.868 -2.174 2.492) 3.419 4.986 ( 0.868 -2.174 2.492) 3.419 5.150 ( -5.898 4.385 -1.387) 7.479 5.150 ( 5.898 4.385 -1.387) 7.479 5.229 ( -3.894 0.477 -3.064) 4.978 5.229 ( 3.894 0.477 -3.064) 4.978 5.574 ( -7.472 3.143 -9.786) 12.707 5.574 ( 7.472 3.143 -9.786) 12.707 5.874 ( -6.697 -2.791 -1.242) 7.361 5.874 ( 6.697 -2.791 -1.242) 7.361 6.183 ( -2.705 9.627 -1.781) 10.157 6.183 ( 2.705 9.627 -1.781) 10.157 6.504 ( -7.056 -0.845 3.213) 7.799 6.504 ( 7.056 -0.845 3.213) 7.799 6.671 ( -1.972 1.502 2.579) 3.577 6.671 ( 1.972 1.502 2.579) 3.577 6.751 ( -1.587 6.725 2.286) 7.278 6.751 ( 1.587 6.725 2.286) 7.278 7.012 ( -5.767 13.171 -3.274) 14.746 7.012 ( 5.767 13.171 -3.274) 14.746 7.476 ( -7.342 2.382 6.900) 10.353 7.476 ( 7.342 2.382 6.900) 10.353 7.620 ( -1.163 0.751 1.339) 1.926 7.620 ( 1.163 0.751 1.339) 1.926 7.841 ( -4.132 -0.907 -1.422) 4.463 7.841 ( 4.132 -0.907 -1.422) 4.463 7.922 ( -4.523 1.309 0.806) 4.777 7.922 ( 4.523 1.309 0.806) 4.777 8.167 ( -4.834 2.491 -4.484) 7.048 8.167 ( 4.834 2.491 -4.484) 7.048 8.471 ( -4.943 1.010 -6.612) 8.317 8.471 ( 4.943 1.010 -6.612) 8.317 8.819 ( -9.577 7.597 -7.102) 14.137 8.819 ( 9.577 7.597 -7.102) 14.137 9.054 ( -5.775 14.267 0.155) 15.392 9.054 ( 5.775 14.267 0.155) 15.392 9.113 ( -1.687 4.549 0.852) 4.926 9.113 ( 1.687 4.549 0.852) 4.926 9.298 ( -7.839 4.862 1.940) 9.426 9.298 ( 7.839 4.862 1.940) 9.426 9.973 ( -7.101 2.354 -0.050) 7.481 9.973 ( 7.101 2.354 -0.050) 7.481 10.137 ( -12.264 11.844 7.410) 18.591 10.137 ( 12.264 11.844 7.410) 18.591 10.521 ( -6.511 -2.348 -6.446) 9.458 10.521 ( 6.511 -2.348 -6.446) 9.458 10.746 ( -9.441 4.716 -6.345) 12.314 10.746 ( 9.441 4.716 -6.345) 12.314 10.932 ( -8.601 4.856 -5.580) 11.344 10.932 ( 8.601 4.856 -5.580) 11.344 11.148 ( -1.561 6.214 -2.008) 6.715 11.148 ( 1.561 6.214 -2.008) 6.715 11.303 ( -2.250 11.083 -3.366) 11.799 11.303 ( 2.250 11.083 -3.366) 11.799 12.640 ( -2.309 -6.199 5.486) 8.594 12.640 ( 2.309 -6.199 5.486) 8.594 12.853 ( -1.802 2.603 8.043) 8.643 12.853 ( 1.802 2.603 8.043) 8.643 13.261 ( -3.917 -2.959 1.636) 5.175 13.261 ( 3.917 -2.959 1.636) 5.175 13.503 ( -5.695 -5.792 3.761) 8.951 13.503 ( 5.695 -5.792 3.761) 8.951 13.870 ( -5.341 -0.909 -1.492) 5.620 13.870 ( 5.341 -0.909 -1.492) 5.620 14.496 ( -10.536 3.759 -11.622) 16.131 14.496 ( 10.536 3.759 -11.622) 16.131 14.759 ( -2.413 -1.189 -0.898) 2.836 14.759 ( 2.413 -1.189 -0.898) 2.836 15.653 ( -7.771 -2.129 -0.280) 8.063 15.653 ( 7.771 -2.129 -0.280) 8.063 16.395 ( -1.183 -7.593 -4.333) 8.822 16.395 ( 1.183 -7.593 -4.333) 8.822 17.059 ( -2.036 -3.773 -0.700) 4.344 17.059 ( 2.036 -3.773 -0.700) 4.344 17.449 ( -5.085 -4.488 4.984) 8.417 17.449 ( 5.085 -4.488 4.984) 8.417 17.944 ( -2.162 -3.833 6.220) 7.620 17.944 ( 2.162 -3.833 6.220) 7.620 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 9.912 21.194) 23.397 1.857 ( 0.000 12.769 17.680) 21.809 2.192 ( 0.000 -0.312 9.379) 9.384 2.263 ( 0.000 -1.828 1.679) 2.482 2.335 ( 0.000 -0.451 3.398) 3.427 2.353 ( 0.000 1.050 -1.926) 2.194 2.459 ( 0.000 4.688 0.109) 4.689 2.678 ( 0.000 7.264 -3.088) 7.893 2.703 ( 0.000 3.169 2.337) 3.937 2.736 ( 0.000 -1.639 3.268) 3.656 2.895 ( 0.000 7.317 7.525) 10.496 2.981 ( 0.000 -0.256 -1.682) 1.702 3.131 ( 0.000 3.937 1.504) 4.214 3.176 ( 0.000 3.662 4.538) 5.831 3.352 ( 0.000 23.808 0.392) 23.811 3.472 ( 0.000 3.349 -5.478) 6.420 3.617 ( 0.000 28.332 6.381) 29.041 3.703 ( 0.000 4.799 1.765) 5.113 3.778 ( 0.000 16.853 -1.525) 16.922 3.794 ( 0.000 3.708 -0.618) 3.759 4.022 ( 0.000 3.743 0.013) 3.743 4.141 ( 0.000 -16.051 -1.127) 16.091 4.417 ( 0.000 16.825 2.972) 17.086 4.518 ( 0.000 2.756 0.735) 2.852 4.563 ( 0.000 -1.145 -4.428) 4.574 4.642 ( 0.000 3.638 -5.726) 6.784 4.673 ( 0.000 7.630 -3.748) 8.501 4.788 ( 0.000 9.921 -0.243) 9.924 4.866 ( 0.000 3.412 0.087) 3.413 4.868 ( 0.000 12.750 0.584) 12.763 4.955 ( 0.000 -0.372 -1.534) 1.579 5.029 ( 0.000 -7.146 0.410) 7.158 5.095 ( 0.000 9.177 -3.143) 9.700 5.270 ( 0.000 0.090 -0.358) 0.369 5.278 ( 0.000 -0.305 -3.740) 3.752 5.510 ( 0.000 11.920 2.519) 12.183 5.580 ( 0.000 2.571 3.667) 4.479 5.720 ( 0.000 -0.217 1.297) 1.315 5.781 ( 0.000 2.345 4.258) 4.861 5.985 ( 0.000 20.565 -5.237) 21.221 6.210 ( 0.000 -4.922 -5.281) 7.219 6.281 ( 0.000 9.604 6.990) 11.879 6.405 ( 0.000 -0.085 3.606) 3.607 6.563 ( 0.000 5.565 4.734) 7.306 6.665 ( 0.000 1.635 8.319) 8.478 6.726 ( 0.000 8.694 -5.746) 10.421 6.752 ( 0.000 6.414 9.636) 11.576 6.903 ( 0.000 1.278 -3.237) 3.480 7.145 ( 0.000 16.968 -2.457) 17.145 7.228 ( 0.000 3.482 0.341) 3.498 7.529 ( 0.000 11.349 1.767) 11.486 7.533 ( 0.000 -4.537 -5.632) 7.232 7.664 ( 0.000 6.541 -5.342) 8.445 7.721 ( 0.000 4.513 -7.079) 8.395 7.905 ( 0.000 9.603 -3.671) 10.281 8.030 ( 0.000 -6.516 -1.893) 6.786 8.079 ( 0.000 3.097 -3.122) 4.398 8.170 ( 0.000 5.472 -6.630) 8.596 8.265 ( 0.000 -5.674 -11.130) 12.493 8.434 ( 0.000 1.855 3.286) 3.773 8.440 ( 0.000 7.343 8.301) 11.083 8.683 ( 0.000 17.676 -0.537) 17.684 8.735 ( 0.000 2.543 4.133) 4.853 8.787 ( 0.000 4.303 5.050) 6.635 8.879 ( 0.000 11.053 -7.252) 13.220 9.090 ( 0.000 8.639 5.820) 10.417 9.201 ( 0.000 -3.613 -10.691) 11.285 9.461 ( 0.000 14.460 -3.333) 14.839 9.502 ( 0.000 19.953 1.514) 20.010 9.669 ( 0.000 11.272 -9.772) 14.918 9.975 ( 0.000 8.919 3.917) 9.741 10.179 ( 0.000 3.622 -0.099) 3.624 10.312 ( 0.000 -0.646 0.969) 1.165 10.368 ( 0.000 3.531 9.772) 10.390 10.484 ( 0.000 14.372 1.499) 14.450 10.694 ( 0.000 5.949 -4.821) 7.658 10.786 ( 0.000 7.601 -4.776) 8.977 10.913 ( 0.000 15.910 11.694) 19.745 10.944 ( 0.000 18.212 3.701) 18.584 11.203 ( 0.000 5.923 -9.253) 10.987 11.312 ( 0.000 7.591 0.181) 7.593 11.433 ( 0.000 14.106 -6.693) 15.613 11.494 ( 0.000 13.900 -5.619) 14.993 11.681 ( 0.000 17.851 -6.772) 19.093 12.574 ( 0.000 -6.858 4.392) 8.144 12.607 ( 0.000 4.232 0.120) 4.234 12.764 ( 0.000 -3.297 10.313) 10.827 12.803 ( 0.000 0.760 8.779) 8.812 13.095 ( 0.000 -10.146 3.604) 10.767 13.207 ( 0.000 -8.549 -1.733) 8.723 13.234 ( 0.000 -7.436 6.365) 9.788 13.578 ( 0.000 -9.590 -2.078) 9.812 13.731 ( 0.000 3.538 -5.696) 6.705 14.128 ( 0.000 -0.341 -9.872) 9.878 14.285 ( 0.000 10.039 8.106) 12.903 14.665 ( 0.000 -5.910 -4.637) 7.512 14.794 ( 0.000 -2.530 -3.238) 4.110 14.902 ( 0.000 7.672 -17.758) 19.344 15.290 ( 0.000 -7.006 10.472) 12.599 15.915 ( 0.000 -13.228 -5.745) 14.421 16.015 ( 0.000 2.383 -9.713) 10.001 16.206 ( 0.000 -7.838 -7.029) 10.528 16.949 ( 0.000 -15.771 -3.021) 16.058 16.967 ( 0.000 -9.017 -2.328) 9.312 17.164 ( 0.000 -3.689 13.005) 13.518 17.558 ( 0.000 -2.750 1.897) 3.341 17.797 ( 0.000 -3.553 7.485) 8.285 17.867 ( 0.000 -7.409 6.711) 9.996 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 5.300 11.930 18.438) 22.592 1.988 ( 8.716 10.103 12.010) 17.952 2.137 ( -7.610 5.426 8.608) 12.706 2.238 ( -3.049 -0.754 2.495) 4.011 2.272 ( 0.711 -0.800 1.842) 2.131 2.362 ( -3.116 6.387 3.412) 7.883 2.460 ( 1.294 0.150 -1.644) 2.097 2.643 ( -4.410 -1.752 -1.503) 4.978 2.674 ( -2.313 -2.125 0.707) 3.219 2.783 ( 4.663 6.661 0.594) 8.153 2.814 ( -5.200 4.359 1.481) 6.945 3.011 ( -1.183 -0.569 -0.452) 1.389 3.104 ( -2.053 5.291 -0.986) 5.761 3.189 ( -9.502 8.439 -6.105) 14.099 3.328 ( 12.578 3.114 9.367) 15.988 3.437 ( 2.364 23.512 2.849) 23.801 3.608 ( -0.038 27.097 5.733) 27.697 3.757 ( -0.812 8.373 -0.542) 8.429 3.863 ( 5.930 15.643 3.120) 17.018 3.927 ( 10.338 0.576 1.736) 10.498 4.055 ( 3.116 -7.499 -2.725) 8.566 4.185 ( 3.145 -6.976 1.058) 7.725 4.368 ( -2.686 11.206 2.497) 11.791 4.441 ( -5.564 7.152 1.043) 9.122 4.552 ( -7.116 2.588 -4.026) 8.576 4.642 ( 2.963 -0.617 -4.638) 5.538 4.656 ( -6.316 3.726 5.238) 9.012 4.687 ( -1.341 8.339 -2.539) 8.819 4.837 ( -0.450 10.276 2.525) 10.591 4.940 ( 2.863 8.190 2.380) 8.997 4.974 ( 0.873 2.339 0.655) 2.581 5.068 ( 0.247 -1.899 -4.668) 5.045 5.115 ( 5.108 3.905 -3.729) 7.433 5.250 ( -7.327 5.781 7.156) 11.760 5.272 ( -6.163 1.526 0.896) 6.412 5.390 ( -3.182 7.344 -2.376) 8.349 5.515 ( 3.064 12.551 -2.794) 13.218 5.653 ( 3.168 -1.274 1.582) 3.763 5.846 ( -1.671 7.561 -11.063) 13.503 6.009 ( -11.174 -2.753 -1.704) 11.634 6.220 ( 13.209 7.262 0.065) 15.074 6.333 ( 1.346 5.643 8.193) 10.039 6.487 ( 1.104 8.420 1.113) 8.565 6.549 ( 1.621 1.830 5.454) 5.977 6.688 ( 2.256 1.972 6.062) 6.762 6.751 ( 1.839 7.187 2.012) 7.686 6.815 ( 4.932 3.960 2.142) 6.678 6.930 ( 2.860 6.077 -4.766) 8.236 7.127 ( -0.289 6.899 -1.907) 7.164 7.269 ( -1.553 8.331 -3.457) 9.153 7.454 ( -0.078 -1.331 -6.071) 6.216 7.549 ( 0.765 5.984 -0.869) 6.095 7.656 ( -2.815 2.227 -3.101) 4.744 7.752 ( -2.383 8.626 -0.222) 8.952 7.840 ( 0.839 5.256 -5.988) 8.012 7.959 ( -4.469 -1.251 -1.651) 4.926 7.995 ( -6.797 3.395 -5.858) 9.593 8.122 ( -2.918 -0.245 -1.066) 3.116 8.175 ( -6.783 5.253 0.547) 8.596 8.381 ( 3.763 1.801 -0.042) 4.172 8.461 ( -10.509 10.121 -2.011) 14.728 8.659 ( 0.604 8.212 3.272) 8.861 8.822 ( 7.788 10.360 -5.862) 14.225 8.913 ( 7.606 -0.843 0.590) 7.675 8.968 ( 6.099 4.991 -2.852) 8.381 9.117 ( 7.390 6.758 1.865) 10.186 9.253 ( -0.343 2.847 5.015) 5.777 9.433 ( -2.436 18.104 -0.992) 18.294 9.511 ( 1.967 20.655 -0.022) 20.749 9.718 ( 0.429 16.504 -7.071) 17.960 9.986 ( 5.169 9.365 1.548) 10.809 10.151 ( -3.437 1.808 -1.896) 4.322 10.244 ( -3.738 6.805 3.000) 8.323 10.504 ( 4.854 12.161 0.974) 13.131 10.542 ( 8.954 4.911 3.931) 10.943 10.612 ( -5.984 2.334 -5.314) 8.336 10.726 ( -8.591 12.781 5.403) 16.320 10.836 ( 3.406 11.065 -7.285) 13.679 11.035 ( -0.563 9.286 -0.404) 9.311 11.234 ( 3.678 11.318 -2.260) 12.113 11.291 ( -8.994 9.799 -5.507) 14.396 11.314 ( 0.017 8.592 1.102) 8.662 11.563 ( 2.780 17.706 -6.074) 18.924 11.651 ( -2.293 18.088 -5.585) 19.069 12.510 ( -2.152 -4.775 4.503) 6.907 12.610 ( -4.642 -3.371 4.651) 7.386 12.748 ( 4.304 -2.961 8.798) 10.232 12.874 ( 1.227 -2.102 9.498) 9.805 13.101 ( 1.592 -8.808 1.380) 9.056 13.211 ( -1.779 -8.394 2.980) 9.084 13.268 ( 5.095 -6.193 0.932) 8.073 13.526 ( -4.927 -6.709 -2.068) 8.577 13.753 ( 2.567 1.274 -5.196) 5.934 14.005 ( -8.350 0.122 -6.200) 10.401 14.403 ( 8.083 6.636 3.025) 10.887 14.654 ( -1.507 -4.900 -4.473) 6.804 14.775 ( -1.598 -1.583 -2.586) 3.427 14.814 ( -5.904 6.594 -10.240) 13.534 15.410 ( 9.284 -4.405 2.674) 10.618 15.784 ( -8.341 -3.883 -6.421) 11.220 16.118 ( 5.413 -8.823 -6.839) 12.406 16.214 ( 0.301 -9.388 -6.213) 11.262 16.931 ( -0.905 -12.753 -2.548) 13.037 16.955 ( -1.113 -9.061 -3.780) 9.880 17.231 ( 5.717 -4.023 11.052) 13.077 17.494 ( -5.430 -2.422 4.489) 7.449 17.816 ( 1.469 -4.668 7.118) 8.638 17.862 ( -0.546 -7.130 6.949) 9.971 ======================= Grid point 102 (39/60) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -14.432 9.751 10.193) 20.181 1.871 ( 14.432 9.751 10.193) 20.181 2.167 ( -6.215 7.380 6.860) 11.838 2.167 ( 6.215 7.380 6.860) 11.838 2.295 ( -1.886 2.831 3.789) 5.092 2.295 ( 1.886 2.831 3.789) 5.092 2.521 ( -5.364 -2.889 -2.923) 6.758 2.521 ( 5.364 -2.889 -2.923) 6.758 2.686 ( -3.566 0.324 0.167) 3.584 2.686 ( 3.566 0.324 0.167) 3.584 2.928 ( -6.229 0.523 -0.018) 6.251 2.928 ( 6.229 0.523 -0.018) 6.251 3.093 ( -1.425 8.067 -3.725) 8.999 3.093 ( 1.425 8.067 -3.725) 8.999 3.468 ( -1.857 21.915 2.340) 22.118 3.468 ( 1.857 21.915 2.340) 22.118 3.693 ( -6.007 8.181 3.459) 10.723 3.693 ( 6.007 8.181 3.459) 10.723 4.019 ( -5.882 -0.304 4.525) 7.427 4.019 ( 5.882 -0.304 4.525) 7.427 4.139 ( -10.139 5.415 3.772) 12.098 4.139 ( 10.139 5.415 3.772) 12.098 4.359 ( -1.819 2.338 0.306) 2.978 4.359 ( 1.819 2.338 0.306) 2.978 4.482 ( -3.924 5.550 4.978) 8.425 4.482 ( 3.924 5.550 4.978) 8.425 4.690 ( -0.842 4.133 -3.196) 5.292 4.690 ( 0.842 4.133 -3.196) 5.292 4.877 ( -5.380 5.347 3.029) 8.167 4.877 ( 5.380 5.347 3.029) 8.167 5.035 ( -5.543 11.484 3.104) 13.124 5.035 ( 5.543 11.484 3.104) 13.124 5.162 ( -6.068 1.137 -5.007) 7.949 5.162 ( 6.068 1.137 -5.007) 7.949 5.291 ( -6.830 5.400 -1.621) 8.857 5.291 ( 6.830 5.400 -1.621) 8.857 5.659 ( -6.252 5.161 -5.584) 9.843 5.659 ( 6.252 5.161 -5.584) 9.843 5.835 ( -4.532 0.556 -1.703) 4.873 5.835 ( 4.532 0.556 -1.703) 4.873 6.352 ( -0.480 7.390 1.206) 7.504 6.352 ( 0.480 7.390 1.206) 7.504 6.526 ( -3.611 2.234 4.169) 5.951 6.526 ( 3.611 2.234 4.169) 5.951 6.747 ( -2.659 5.260 3.920) 7.078 6.747 ( 2.659 5.260 3.920) 7.078 6.938 ( -4.941 10.701 -1.609) 11.896 6.938 ( 4.941 10.701 -1.609) 11.896 7.163 ( -4.963 -0.757 -6.504) 8.216 7.163 ( 4.963 -0.757 -6.504) 8.216 7.522 ( -3.576 3.041 -4.232) 6.320 7.522 ( 3.576 3.041 -4.232) 6.320 7.654 ( -2.747 0.970 1.306) 3.193 7.654 ( 2.747 0.970 1.306) 3.193 7.907 ( -1.458 6.926 -1.672) 7.273 7.907 ( 1.458 6.926 -1.672) 7.273 7.966 ( -7.030 4.338 -1.845) 8.465 7.966 ( 7.030 4.338 -1.845) 8.465 8.222 ( -6.909 3.651 -3.133) 8.419 8.222 ( 6.909 3.651 -3.133) 8.419 8.548 ( -7.571 7.842 1.543) 11.009 8.548 ( 7.571 7.842 1.543) 11.009 8.959 ( -4.230 6.897 -6.655) 10.476 8.959 ( 4.230 6.897 -6.655) 10.476 9.121 ( -10.397 -1.775 3.839) 11.224 9.121 ( 10.397 -1.775 3.839) 11.224 9.345 ( -7.501 15.070 2.805) 17.066 9.345 ( 7.501 15.070 2.805) 17.066 9.616 ( -7.964 22.530 1.255) 23.929 9.616 ( 7.964 22.530 1.255) 23.929 10.072 ( -2.476 7.308 -2.040) 7.981 10.072 ( 2.476 7.308 -2.040) 7.981 10.373 ( -14.482 7.683 -2.728) 16.620 10.373 ( 14.482 7.683 -2.728) 16.620 10.570 ( -2.854 10.984 3.827) 11.976 10.570 ( 2.854 10.984 3.827) 11.976 10.811 ( -8.635 3.577 -8.190) 12.427 10.811 ( 8.635 3.577 -8.190) 12.427 11.088 ( -9.071 9.326 -2.799) 13.308 11.088 ( 9.071 9.326 -2.799) 13.308 11.303 ( -1.781 10.513 0.574) 10.678 11.303 ( 1.781 10.513 0.574) 10.678 11.607 ( -1.951 18.816 -5.178) 19.613 11.607 ( 1.951 18.816 -5.178) 19.613 12.519 ( -3.051 -6.261 6.609) 9.601 12.519 ( 3.051 -6.261 6.609) 9.601 12.840 ( -3.724 -4.015 8.759) 10.330 12.840 ( 3.724 -4.015 8.759) 10.330 13.157 ( -3.209 -8.701 1.571) 9.406 13.157 ( 3.209 -8.701 1.571) 9.406 13.399 ( -6.946 -4.153 -0.822) 8.134 13.399 ( 6.946 -4.153 -0.822) 8.134 13.846 ( -6.545 -0.784 -5.453) 8.554 13.846 ( 6.545 -0.784 -5.453) 8.554 14.565 ( -7.142 2.008 -1.126) 7.504 14.565 ( 7.142 2.008 -1.126) 7.504 14.751 ( -0.356 1.505 -4.546) 4.801 14.751 ( 0.356 1.505 -4.546) 4.801 15.605 ( -9.284 -2.503 -3.596) 10.266 15.605 ( 9.284 -2.503 -3.596) 10.266 16.197 ( -2.275 -11.714 -5.336) 13.071 16.197 ( 2.275 -11.714 -5.336) 13.071 16.931 ( -0.899 -9.691 -3.941) 10.501 16.931 ( 0.899 -9.691 -3.941) 10.501 17.365 ( -6.863 -3.036 8.105) 11.046 17.365 ( 6.863 -3.036 8.105) 11.046 17.844 ( -1.152 -6.212 7.170) 9.556 17.844 ( 1.152 -6.212 7.170) 9.556 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.000 10.196 13.127) 16.621 2.069 ( 0.000 8.754 9.918) 13.229 2.167 ( 0.000 -1.854 7.953) 8.167 2.245 ( 0.000 -0.075 2.049) 2.050 2.337 ( 0.000 0.717 3.513) 3.585 2.376 ( 0.000 1.158 -1.001) 1.531 2.542 ( 0.000 3.567 0.470) 3.598 2.622 ( 0.000 -2.317 -0.623) 2.399 2.727 ( 0.000 1.298 6.910) 7.031 2.824 ( 0.000 3.320 2.974) 4.457 2.948 ( 0.000 -1.097 3.637) 3.799 2.952 ( 0.000 -1.912 -0.836) 2.087 3.207 ( 0.000 4.878 2.354) 5.416 3.257 ( 0.000 2.990 0.814) 3.099 3.531 ( 0.000 1.098 -4.984) 5.103 3.632 ( 0.000 5.045 -1.655) 5.310 3.723 ( 0.000 -4.664 2.798) 5.439 3.779 ( 0.000 -16.712 3.383) 17.051 3.938 ( 0.000 12.834 -0.513) 12.844 4.078 ( 0.000 13.605 3.318) 14.004 4.106 ( 0.000 7.121 3.903) 8.121 4.330 ( 0.000 15.736 -1.224) 15.784 4.410 ( 0.000 -4.291 -1.135) 4.438 4.431 ( 0.000 1.407 -4.248) 4.475 4.611 ( 0.000 7.004 3.050) 7.639 4.628 ( 0.000 -0.763 -6.442) 6.487 4.769 ( 0.000 -2.948 -9.133) 9.597 4.857 ( 0.000 1.187 -0.752) 1.406 4.922 ( 0.000 0.534 -2.961) 3.008 4.959 ( 0.000 5.052 7.012) 8.643 5.137 ( 0.000 12.828 -5.050) 13.787 5.159 ( 0.000 5.461 4.197) 6.887 5.233 ( 0.000 6.565 1.982) 6.857 5.306 ( 0.000 5.877 2.385) 6.343 5.321 ( 0.000 5.094 0.681) 5.139 5.679 ( 0.000 -2.397 1.851) 3.029 5.745 ( 0.000 11.826 1.078) 11.875 5.805 ( 0.000 13.138 -0.065) 13.139 5.887 ( 0.000 7.579 3.452) 8.328 6.117 ( 0.000 -1.898 -7.321) 7.563 6.286 ( 0.000 -10.094 3.004) 10.531 6.406 ( 0.000 18.869 -0.613) 18.879 6.503 ( 0.000 12.663 4.843) 13.558 6.629 ( 0.000 -8.838 6.146) 10.765 6.699 ( 0.000 6.297 3.533) 7.221 6.827 ( 0.000 0.050 1.324) 1.325 6.872 ( 0.000 5.615 12.248) 13.474 6.914 ( 0.000 2.871 -8.406) 8.883 7.241 ( 0.000 -0.776 -1.733) 1.899 7.296 ( 0.000 2.435 -6.400) 6.848 7.517 ( 0.000 1.773 -1.559) 2.361 7.542 ( 0.000 -4.129 -4.990) 6.477 7.779 ( 0.000 0.686 -7.120) 7.153 7.864 ( 0.000 5.455 -9.572) 11.017 7.910 ( 0.000 -3.514 0.393) 3.536 7.961 ( 0.000 -0.196 -15.022) 15.024 8.203 ( 0.000 -0.889 -14.103) 14.131 8.228 ( 0.000 0.923 5.866) 5.938 8.438 ( 0.000 19.274 4.179) 19.722 8.515 ( 0.000 7.946 -10.487) 13.158 8.560 ( 0.000 4.354 8.842) 9.856 8.834 ( 0.000 8.917 7.185) 11.452 8.922 ( 0.000 10.585 4.617) 11.548 8.949 ( 0.000 6.773 2.276) 7.145 9.032 ( 0.000 0.042 -14.189) 14.189 9.162 ( 0.000 4.904 0.262) 4.911 9.247 ( 0.000 7.928 7.441) 10.873 9.603 ( 0.000 6.645 -1.876) 6.905 9.870 ( 0.000 13.735 3.096) 14.079 9.894 ( 0.000 1.323 -0.333) 1.365 10.165 ( 0.000 5.805 -3.121) 6.591 10.220 ( 0.000 -0.127 9.339) 9.340 10.425 ( 0.000 19.075 2.725) 19.269 10.433 ( 0.000 8.258 6.600) 10.571 10.804 ( 0.000 14.232 2.008) 14.373 10.876 ( 0.000 9.214 -4.713) 10.350 10.999 ( 0.000 14.730 -3.445) 15.127 11.206 ( 0.000 12.698 4.020) 13.319 11.370 ( 0.000 21.825 -5.466) 22.500 11.375 ( 0.000 11.893 -3.170) 12.308 11.492 ( 0.000 11.005 -2.639) 11.317 11.726 ( 0.000 8.978 -0.604) 8.998 11.786 ( 0.000 21.821 -1.078) 21.848 12.069 ( 0.000 21.385 -4.880) 21.935 12.424 ( 0.000 -8.007 4.374) 9.124 12.655 ( 0.000 -6.275 2.635) 6.806 12.676 ( 0.000 -1.986 -1.448) 2.458 12.688 ( 0.000 -12.489 10.322) 16.203 12.839 ( 0.000 -12.453 2.748) 12.752 13.047 ( 0.000 -11.070 9.566) 14.631 13.117 ( 0.000 -1.276 -2.212) 2.553 13.350 ( 0.000 -13.457 -2.923) 13.770 13.852 ( 0.000 8.547 -7.639) 11.463 14.121 ( 0.000 0.431 -13.906) 13.912 14.440 ( 0.000 3.616 4.618) 5.866 14.513 ( 0.000 -9.533 -5.785) 11.151 14.777 ( 0.000 2.509 -1.651) 3.004 15.095 ( 0.000 11.398 -10.355) 15.399 15.196 ( 0.000 -0.942 9.897) 9.942 15.610 ( 0.000 -17.430 -2.074) 17.553 16.032 ( 0.000 -9.613 -7.796) 12.377 16.055 ( 0.000 0.664 -15.201) 15.215 16.613 ( 0.000 -16.767 -3.757) 17.183 16.724 ( 0.000 -13.501 -7.656) 15.520 17.177 ( 0.000 4.019 15.208) 15.730 17.527 ( 0.000 -0.450 3.957) 3.983 17.702 ( 0.000 -9.270 8.684) 12.702 17.717 ( 0.000 -4.489 7.137) 8.431 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 5.691 11.230 10.089) 16.133 2.115 ( 2.367 4.244 6.200) 7.877 2.182 ( 1.367 -1.279 6.797) 7.050 2.239 ( -2.746 0.259 2.482) 3.711 2.298 ( 1.113 4.184 3.853) 5.796 2.413 ( 1.353 0.437 0.632) 1.556 2.502 ( -3.794 3.158 1.183) 5.076 2.582 ( -3.656 -1.905 -1.325) 4.330 2.685 ( -1.073 2.366 5.001) 5.635 2.845 ( -3.705 1.697 2.757) 4.920 2.888 ( -1.335 2.844 -0.326) 3.158 2.979 ( -0.715 -2.405 2.080) 3.259 3.190 ( -1.771 3.036 -3.200) 4.753 3.307 ( -0.986 2.805 0.378) 2.997 3.376 ( 4.329 4.457 4.667) 7.771 3.718 ( 2.414 -9.822 -1.009) 10.165 3.805 ( 1.626 -5.267 3.818) 6.706 3.821 ( 2.942 -4.800 1.816) 5.916 3.922 ( -1.047 12.432 -0.200) 12.478 4.070 ( -1.814 10.395 1.697) 10.688 4.140 ( 4.040 3.518 4.044) 6.712 4.297 ( -0.203 -1.174 -3.242) 3.454 4.412 ( 1.905 17.542 1.843) 17.741 4.481 ( -9.021 -3.800 -4.240) 10.668 4.524 ( 3.440 -0.866 -3.896) 5.269 4.646 ( 4.633 9.177 4.436) 11.196 4.792 ( -4.141 8.144 -0.382) 9.144 4.857 ( 2.928 -6.095 -3.648) 7.683 4.867 ( -2.127 5.289 -1.711) 5.952 5.026 ( 1.204 5.133 3.761) 6.476 5.073 ( -3.406 8.698 0.906) 9.385 5.201 ( -1.823 6.615 3.771) 7.829 5.251 ( 3.328 2.656 -1.015) 4.377 5.285 ( 1.985 6.761 -1.828) 7.279 5.370 ( 1.871 7.424 1.353) 7.775 5.569 ( -5.755 6.026 -1.056) 8.399 5.674 ( -2.889 6.733 3.880) 8.290 5.840 ( -1.772 7.400 0.073) 7.609 5.957 ( -0.711 7.555 -2.801) 8.089 5.997 ( 1.068 5.654 -4.017) 7.018 6.365 ( 2.466 2.474 3.491) 4.938 6.518 ( 1.851 10.317 1.453) 10.582 6.530 ( 5.047 0.781 3.600) 6.249 6.602 ( -1.130 -4.134 2.404) 4.914 6.696 ( 2.180 4.046 3.287) 5.650 6.834 ( 1.182 0.846 2.867) 3.215 6.896 ( 2.525 3.259 10.232) 11.032 6.968 ( 4.959 -0.727 -5.970) 7.796 7.168 ( -4.493 1.925 -4.403) 6.578 7.388 ( -0.995 4.016 -3.008) 5.116 7.441 ( -0.624 0.656 -4.531) 4.621 7.551 ( 0.460 -4.228 -5.568) 7.007 7.705 ( -4.334 3.789 -5.773) 8.153 7.824 ( -5.890 -1.301 -8.242) 10.213 7.913 ( 2.854 0.208 -8.033) 8.528 8.009 ( 0.959 -0.308 -8.864) 8.921 8.050 ( -6.783 4.513 -12.065) 14.558 8.221 ( 0.274 5.119 5.045) 7.193 8.273 ( -12.906 6.966 3.329) 15.039 8.483 ( -2.381 5.015 4.068) 6.882 8.693 ( -3.243 12.254 0.217) 12.677 8.777 ( 11.185 3.264 -6.043) 13.126 8.912 ( -2.830 4.946 2.232) 6.120 9.069 ( 5.239 9.962 1.976) 11.428 9.139 ( 6.349 7.271 1.026) 9.707 9.163 ( 3.713 8.306 0.909) 9.144 9.367 ( 8.953 7.537 9.081) 14.813 9.710 ( 0.209 8.824 -1.642) 8.978 9.846 ( 6.363 9.056 3.213) 11.525 9.990 ( 8.062 6.189 -6.733) 12.191 10.157 ( -4.678 7.907 0.824) 9.224 10.240 ( 0.757 9.052 3.123) 9.606 10.408 ( 4.988 8.798 3.342) 10.651 10.529 ( 5.071 5.601 -1.751) 7.756 10.747 ( -4.623 7.740 1.423) 9.127 10.865 ( -1.192 12.957 0.085) 13.012 10.936 ( -5.657 16.018 1.570) 17.060 11.183 ( -3.121 8.345 -4.086) 9.802 11.218 ( -5.013 21.698 -4.777) 22.776 11.454 ( -1.347 9.565 -5.220) 10.980 11.534 ( 3.403 15.794 1.356) 16.213 11.584 ( -5.193 16.748 3.106) 17.808 11.908 ( 5.127 17.168 -2.019) 18.031 12.044 ( -2.169 21.159 -2.776) 21.450 12.387 ( -2.401 -7.489 3.288) 8.524 12.508 ( -8.368 -7.811 7.360) 13.609 12.691 ( 1.426 -6.512 2.774) 7.221 12.738 ( 0.873 -6.573 3.808) 7.647 12.857 ( 1.811 -14.590 2.657) 14.940 12.997 ( -3.805 -13.149 5.611) 14.794 13.201 ( 5.539 -3.126 -0.794) 6.409 13.332 ( -1.586 -12.778 -2.905) 13.200 13.850 ( 0.322 8.136 -7.901) 11.346 14.020 ( -7.442 2.960 -10.609) 13.293 14.489 ( 3.084 -0.334 0.195) 3.108 14.522 ( 0.628 -8.689 -5.555) 10.332 14.791 ( 1.611 4.924 0.246) 5.186 14.968 ( -6.599 9.070 1.138) 11.275 15.370 ( 10.253 0.610 -2.303) 10.526 15.605 ( -1.037 -14.307 -3.330) 14.726 15.991 ( -1.418 -7.076 -8.197) 10.921 16.061 ( -1.378 -1.827 -10.947) 11.184 16.632 ( 1.945 -16.652 -5.156) 17.540 16.717 ( -0.904 -13.982 -8.034) 16.151 17.230 ( 4.821 3.262 13.627) 14.818 17.474 ( -4.819 0.373 6.001) 7.705 17.702 ( 0.125 -8.792 8.575) 12.282 17.716 ( -0.222 -5.685 7.497) 9.411 ======================= Grid point 107 (42/60) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -8.460 7.513 4.421) 12.148 2.051 ( 8.460 7.513 4.421) 12.148 2.203 ( -0.379 -0.357 4.550) 4.579 2.203 ( 0.379 -0.357 4.550) 4.579 2.380 ( -5.346 3.910 4.426) 7.966 2.380 ( 5.346 3.910 4.426) 7.966 2.483 ( -4.413 -0.335 -1.129) 4.568 2.483 ( 4.413 -0.335 -1.129) 4.568 2.716 ( -4.316 3.044 3.175) 6.162 2.716 ( 4.316 3.044 3.175) 6.162 2.931 ( -2.994 0.193 1.128) 3.206 2.931 ( 2.994 0.193 1.128) 3.206 3.214 ( -3.576 3.704 -4.882) 7.095 3.214 ( 3.576 3.704 -4.882) 7.095 3.630 ( -13.034 -2.294 11.047) 17.239 3.630 ( 13.034 -2.294 11.047) 17.239 3.807 ( -5.030 -5.926 -3.850) 8.674 3.807 ( 5.030 -5.926 -3.850) 8.674 3.994 ( -5.240 8.719 1.573) 10.293 3.994 ( 5.240 8.719 1.573) 10.293 4.251 ( -6.280 -3.540 1.387) 7.342 4.251 ( 6.280 -3.540 1.387) 7.342 4.402 ( -2.306 4.042 -2.028) 5.076 4.402 ( 2.306 4.042 -2.028) 5.076 4.644 ( -8.060 12.395 2.611) 15.014 4.644 ( 8.060 12.395 2.611) 15.014 4.782 ( -6.424 6.518 1.577) 9.287 4.782 ( 6.424 6.518 1.577) 9.287 4.934 ( -3.988 2.443 0.253) 4.684 4.934 ( 3.988 2.443 0.253) 4.684 5.127 ( -3.931 5.633 2.100) 7.183 5.127 ( 3.931 5.633 2.100) 7.183 5.304 ( -1.755 3.363 -1.811) 4.204 5.304 ( 1.755 3.363 -1.811) 4.204 5.448 ( -6.379 10.330 -1.830) 12.278 5.448 ( 6.379 10.330 -1.830) 12.278 5.718 ( -6.256 0.339 2.462) 6.732 5.718 ( 6.256 0.339 2.462) 6.732 6.000 ( -2.643 14.772 -5.187) 15.877 6.000 ( 2.643 14.772 -5.187) 15.877 6.439 ( -5.039 -2.595 4.525) 7.253 6.439 ( 5.039 -2.595 4.525) 7.253 6.589 ( -1.504 5.968 3.230) 6.951 6.589 ( 1.504 5.968 3.230) 6.951 6.813 ( -4.690 0.527 2.428) 5.307 6.813 ( 4.690 0.527 2.428) 5.307 6.988 ( -5.794 -5.773 3.299) 8.819 6.988 ( 5.794 -5.773 3.299) 8.819 7.198 ( -10.191 8.281 -6.633) 14.711 7.198 ( 10.191 8.281 -6.633) 14.711 7.532 ( -3.227 -2.145 -6.606) 7.659 7.532 ( 3.227 -2.145 -6.606) 7.659 7.692 ( -3.996 3.407 -6.017) 7.986 7.692 ( 3.996 3.407 -6.017) 7.987 7.975 ( -2.940 -2.079 -11.596) 12.142 7.975 ( 2.940 -2.079 -11.596) 12.142 8.061 ( -6.135 6.530 0.981) 9.013 8.061 ( 6.135 6.530 0.981) 9.013 8.315 ( -8.146 3.207 0.971) 8.809 8.315 ( 8.146 3.207 0.971) 8.809 8.772 ( -5.911 12.363 1.262) 13.761 8.772 ( 5.911 12.363 1.262) 13.761 9.048 ( -7.091 -0.179 4.452) 8.374 9.048 ( 7.091 -0.179 4.452) 8.374 9.185 ( -2.316 12.003 -1.774) 12.352 9.185 ( 2.316 12.003 -1.774) 12.352 9.612 ( -10.390 10.390 6.409) 16.031 9.612 ( 10.390 10.390 6.409) 16.031 9.970 ( -8.626 11.393 3.510) 14.714 9.970 ( 8.626 11.393 3.510) 14.714 10.228 ( -6.989 7.724 -9.906) 14.375 10.228 ( 6.989 7.724 -9.906) 14.375 10.519 ( -6.405 9.492 -3.653) 12.019 10.519 ( 6.405 9.492 -3.653) 12.019 10.763 ( -7.831 3.326 5.047) 9.893 10.763 ( 7.831 3.326 5.047) 9.893 10.967 ( -9.987 14.256 -2.062) 17.528 10.967 ( 9.987 14.256 -2.062) 17.528 11.330 ( -8.533 15.903 -3.220) 18.332 11.330 ( 8.533 15.903 -3.220) 18.332 11.560 ( -0.425 15.794 2.574) 16.008 11.560 ( 0.425 15.794 2.574) 16.008 11.987 ( -3.252 18.131 -1.595) 18.489 11.987 ( 3.252 18.131 -1.595) 18.489 12.385 ( -3.048 -7.661 5.503) 9.913 12.385 ( 3.048 -7.661 5.503) 9.913 12.726 ( -1.652 -5.817 4.200) 7.363 12.726 ( 1.652 -5.817 4.200) 7.363 12.914 ( -3.772 -15.515 2.935) 16.235 12.914 ( 3.772 -15.515 2.935) 16.235 13.289 ( -2.928 -9.009 -2.353) 9.761 13.289 ( 2.928 -9.009 -2.353) 9.761 13.892 ( -4.277 6.596 -8.364) 11.478 13.892 ( 4.277 6.596 -8.364) 11.478 14.527 ( -0.528 -6.057 -4.300) 7.447 14.527 ( 0.528 -6.057 -4.300) 7.447 14.854 ( -4.545 8.730 3.040) 10.301 14.854 ( 4.545 8.730 3.040) 10.301 15.540 ( -5.806 -5.852 -5.208) 9.751 15.540 ( 5.806 -5.852 -5.208) 9.751 16.007 ( -2.774 -4.756 -7.366) 9.196 16.007 ( 2.774 -4.756 -7.366) 9.196 16.682 ( -2.448 -15.307 -7.504) 17.222 16.682 ( 2.448 -15.307 -7.504) 17.222 17.352 ( -6.579 1.773 9.970) 12.075 17.352 ( 6.579 1.773 9.970) 12.075 17.708 ( -0.403 -7.530 8.234) 11.166 17.708 ( 0.403 -7.530 8.234) 11.166 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 6.697 6.584) 9.391 2.102 ( 0.000 -3.492 4.548) 5.734 2.206 ( 0.000 3.655 5.260) 6.405 2.244 ( 0.000 -0.613 2.706) 2.774 2.363 ( 0.000 1.658 2.875) 3.319 2.385 ( 0.000 -0.384 1.024) 1.094 2.597 ( 0.000 2.023 0.451) 2.073 2.611 ( 0.000 0.291 0.166) 0.335 2.781 ( 0.000 3.772 8.492) 9.292 2.861 ( 0.000 -2.382 7.904) 8.255 2.913 ( 0.000 1.245 3.375) 3.597 2.935 ( 0.000 0.125 1.993) 1.997 3.278 ( 0.000 0.354 1.719) 1.755 3.297 ( 0.000 2.303 2.316) 3.266 3.483 ( 0.000 -8.925 4.615) 10.048 3.486 ( 0.000 -4.316 1.735) 4.651 3.692 ( 0.000 1.112 1.564) 1.919 3.702 ( 0.000 1.247 0.952) 1.569 4.054 ( 0.000 2.560 -9.312) 9.657 4.143 ( 0.000 -5.657 -8.309) 10.052 4.289 ( 0.000 4.078 -5.612) 6.937 4.320 ( 0.000 5.872 0.738) 5.918 4.400 ( 0.000 4.221 3.494) 5.479 4.447 ( 0.000 -2.369 2.860) 3.713 4.533 ( 0.000 -4.370 -6.983) 8.238 4.623 ( 0.000 -8.682 -3.248) 9.269 4.917 ( 0.000 3.002 -1.948) 3.578 4.937 ( 0.000 1.724 -4.682) 4.989 5.035 ( 0.000 3.549 6.179) 7.125 5.086 ( 0.000 3.933 5.817) 7.021 5.178 ( 0.000 10.381 7.474) 12.791 5.271 ( 0.000 1.067 1.227) 1.626 5.371 ( 0.000 7.183 -1.316) 7.303 5.492 ( 0.000 3.901 2.008) 4.388 5.558 ( 0.000 19.430 -0.125) 19.430 5.613 ( 0.000 2.492 -3.976) 4.692 5.901 ( 0.000 3.049 1.907) 3.596 5.930 ( 0.000 0.425 3.841) 3.865 5.959 ( 0.000 -4.148 -0.260) 4.156 6.159 ( 0.000 2.726 -1.051) 2.922 6.177 ( 0.000 3.197 -4.929) 5.875 6.234 ( 0.000 -25.392 -3.848) 25.682 6.644 ( 0.000 4.341 -1.226) 4.510 6.695 ( 0.000 1.812 -3.412) 3.863 6.779 ( 0.000 5.496 11.519) 12.762 6.851 ( 0.000 0.802 10.553) 10.583 6.972 ( 0.000 4.273 9.993) 10.868 6.993 ( 0.000 3.236 1.803) 3.704 7.249 ( 0.000 3.155 -3.727) 4.883 7.336 ( 0.000 -0.237 -1.954) 1.969 7.444 ( 0.000 -2.969 -8.181) 8.703 7.500 ( 0.000 -4.313 -3.827) 5.766 7.782 ( 0.000 2.001 -10.360) 10.552 7.842 ( 0.000 -3.411 -11.938) 12.416 7.938 ( 0.000 4.156 1.109) 4.302 7.994 ( 0.000 -0.076 -8.395) 8.395 8.197 ( 0.000 -0.256 -12.524) 12.527 8.203 ( 0.000 -1.464 -1.544) 2.128 8.582 ( 0.000 3.145 5.637) 6.455 8.606 ( 0.000 0.520 8.093) 8.110 8.743 ( 0.000 9.302 -15.520) 18.094 8.907 ( 0.000 -7.642 -16.895) 18.543 8.983 ( 0.000 5.552 6.294) 8.393 9.031 ( 0.000 0.605 3.749) 3.797 9.177 ( 0.000 9.028 7.019) 11.436 9.248 ( 0.000 0.593 8.031) 8.053 9.459 ( 0.000 14.865 3.814) 15.346 9.715 ( 0.000 -5.333 -3.827) 6.564 9.845 ( 0.000 3.925 7.550) 8.509 9.959 ( 0.000 -2.865 1.562) 3.263 10.187 ( 0.000 -0.280 0.263) 0.384 10.196 ( 0.000 -1.292 9.705) 9.791 10.710 ( 0.000 15.255 9.623) 18.037 10.820 ( 0.000 11.004 8.776) 14.075 10.946 ( 0.000 1.964 -4.541) 4.948 10.987 ( 0.000 1.452 -6.643) 6.800 11.314 ( 0.000 14.967 -5.943) 16.103 11.432 ( 0.000 7.716 -9.061) 11.901 11.572 ( 0.000 8.339 -3.098) 8.896 11.677 ( 0.000 6.528 -11.366) 13.107 11.720 ( 0.000 9.618 4.153) 10.477 11.812 ( 0.000 -1.032 7.858) 7.925 12.240 ( 0.000 21.534 3.506) 21.818 12.316 ( 0.000 0.250 4.346) 4.353 12.357 ( 0.000 -2.454 5.803) 6.300 12.433 ( 0.000 -9.701 5.700) 11.252 12.461 ( 0.000 -10.462 -1.812) 10.617 12.558 ( 0.000 -1.162 -1.668) 2.033 12.771 ( 0.000 1.845 -1.178) 2.189 12.904 ( 0.000 2.896 7.659) 8.188 13.029 ( 0.000 -10.938 -6.456) 12.701 13.070 ( 0.000 -13.299 4.149) 13.931 14.049 ( 0.000 11.000 -7.641) 13.394 14.174 ( 0.000 3.830 -11.823) 12.428 14.314 ( 0.000 -8.777 -8.443) 12.179 14.376 ( 0.000 -8.040 -8.881) 11.980 14.943 ( 0.000 13.474 6.925) 15.150 15.258 ( 0.000 -17.581 3.456) 17.918 15.267 ( 0.000 6.376 2.846) 6.983 15.296 ( 0.000 6.079 -5.103) 7.937 15.877 ( 0.000 -3.347 -7.118) 7.866 15.973 ( 0.000 -9.186 -11.045) 14.366 16.412 ( 0.000 -1.576 -9.383) 9.514 16.498 ( 0.000 -8.785 -10.925) 14.019 17.302 ( 0.000 8.405 13.472) 15.879 17.482 ( 0.000 -8.422 9.833) 12.947 17.571 ( 0.000 0.471 6.744) 6.760 17.629 ( 0.000 -4.173 6.618) 7.823 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 4.302 5.655 4.291) 8.301 2.128 ( 2.407 -2.619 3.536) 5.016 2.195 ( -1.069 2.442 3.656) 4.525 2.229 ( -1.592 -1.091 2.525) 3.178 2.374 ( 1.984 3.082 3.653) 5.175 2.412 ( 1.992 -0.755 2.124) 3.008 2.558 ( -4.347 1.936 0.756) 4.818 2.573 ( -3.237 0.157 -0.074) 3.242 2.759 ( 0.398 5.775 7.176) 9.220 2.889 ( -0.652 -3.594 3.576) 5.112 2.908 ( -1.029 0.814 4.953) 5.124 2.931 ( 0.481 1.121 3.341) 3.557 3.233 ( -1.372 2.935 -0.667) 3.307 3.341 ( 3.086 -3.794 3.222) 5.856 3.421 ( -7.748 1.680 0.444) 7.941 3.499 ( 1.662 -5.207 4.312) 6.962 3.713 ( 3.703 -3.588 -1.039) 5.259 3.730 ( 4.926 -3.600 3.715) 7.144 4.064 ( -3.359 3.569 -1.996) 5.292 4.134 ( -3.603 -2.702 -2.397) 5.102 4.235 ( -0.020 6.553 -3.378) 7.373 4.333 ( 0.006 3.364 -2.405) 4.135 4.380 ( -1.296 -4.985 -2.552) 5.749 4.414 ( -4.286 -2.703 -1.279) 5.226 4.564 ( 7.405 3.320 0.441) 8.127 4.687 ( 4.078 -8.244 -2.156) 9.447 4.865 ( -5.436 1.985 -2.035) 6.134 4.885 ( -3.460 0.317 -2.277) 4.154 5.114 ( 4.968 4.681 2.795) 7.376 5.148 ( 5.456 6.814 5.011) 10.065 5.210 ( 2.358 6.565 5.828) 9.090 5.281 ( 0.144 1.727 0.710) 1.873 5.368 ( -0.180 10.370 -1.824) 10.531 5.455 ( -1.756 11.441 4.351) 12.366 5.583 ( -0.678 6.828 -1.569) 7.039 5.633 ( 4.009 10.154 -2.185) 11.133 5.760 ( -9.591 0.373 3.597) 10.250 5.842 ( -5.613 2.394 -1.467) 6.276 5.995 ( 3.066 -7.738 0.912) 8.373 6.183 ( -3.756 -15.956 -4.722) 17.059 6.245 ( 6.914 3.454 -0.308) 7.735 6.347 ( 10.204 -3.339 -3.589) 11.320 6.625 ( -3.785 4.912 0.554) 6.226 6.679 ( -0.839 -0.011 -3.997) 4.084 6.802 ( 0.840 4.118 10.129) 10.967 6.841 ( 1.333 -0.037 9.215) 9.311 6.942 ( -2.726 2.738 10.114) 10.827 6.971 ( -1.586 0.363 6.628) 6.825 7.260 ( 1.933 6.822 -6.894) 9.890 7.389 ( 3.295 -4.094 -3.669) 6.409 7.453 ( 0.596 -0.616 -6.594) 6.649 7.478 ( -1.919 -1.517 -4.339) 4.981 7.776 ( -0.932 3.318 -10.594) 11.140 7.852 ( -3.992 3.015 -7.894) 9.345 7.855 ( 0.053 -2.523 -11.641) 11.911 7.957 ( -3.885 -4.711 -8.407) 10.390 8.153 ( -1.415 5.633 -4.896) 7.597 8.238 ( 1.241 -2.390 -1.003) 2.874 8.405 ( -12.461 5.738 4.267) 14.367 8.495 ( -10.439 -2.914 3.807) 11.487 8.816 ( 8.048 2.958 -5.841) 10.375 8.843 ( 2.668 1.115 -7.553) 8.088 9.014 ( 0.480 4.977 3.400) 6.047 9.088 ( 2.240 -2.643 3.193) 4.712 9.388 ( 9.822 10.743 3.676) 15.014 9.415 ( 7.562 11.005 5.412) 14.408 9.493 ( 6.886 6.563 6.309) 11.414 9.710 ( -1.133 -8.511 -1.693) 8.751 9.951 ( 10.781 3.892 4.588) 12.346 9.999 ( 6.707 -1.337 -2.388) 7.243 10.258 ( 6.327 3.822 -3.110) 8.019 10.351 ( 12.134 -4.690 4.084) 13.635 10.546 ( -11.597 15.401 9.579) 21.528 10.758 ( -8.286 -3.589 9.286) 12.952 10.853 ( -6.013 10.794 -7.289) 14.346 10.960 ( -5.716 -0.246 -4.516) 7.289 11.336 ( 0.766 17.669 -2.993) 17.937 11.396 ( -3.141 13.529 -6.041) 15.146 11.555 ( -1.046 6.883 -4.061) 8.060 11.594 ( -3.671 3.497 -5.434) 7.432 11.807 ( 5.831 9.606 3.539) 11.781 11.843 ( 3.235 6.162 5.452) 8.841 12.242 ( -5.496 9.420 5.037) 12.013 12.272 ( 0.249 5.843 3.037) 6.590 12.322 ( -2.981 1.597 3.962) 5.209 12.335 ( -8.351 -6.506 7.765) 13.129 12.489 ( 2.986 -14.783 -0.209) 15.083 12.607 ( 3.742 -3.674 1.229) 5.386 12.714 ( -3.627 -0.679 -0.452) 3.718 12.835 ( -4.340 5.321 1.052) 6.946 13.038 ( -0.627 -15.247 -4.497) 15.909 13.062 ( -0.638 -11.849 1.355) 11.943 14.053 ( 0.879 12.232 -8.080) 14.686 14.152 ( -2.331 9.332 -10.940) 14.567 14.316 ( 0.805 -11.598 -7.628) 13.905 14.372 ( -0.710 -9.797 -9.055) 13.360 14.981 ( 3.467 13.438 6.452) 15.305 15.170 ( -5.074 11.138 2.691) 12.532 15.284 ( 2.198 -16.448 2.255) 16.747 15.357 ( 1.152 -5.587 -2.185) 6.109 15.929 ( 6.078 4.149 -7.810) 10.731 16.063 ( 6.073 -3.273 -12.435) 14.221 16.366 ( -3.581 -5.793 -8.777) 11.110 16.459 ( -3.755 -11.200 -11.160) 16.251 17.339 ( 3.430 7.524 12.502) 14.989 17.489 ( -0.149 -3.291 8.754) 9.353 17.542 ( -1.826 -2.841 8.874) 9.495 17.607 ( -2.027 -5.205 7.461) 9.321 ======================= Grid point 112 (45/60) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -3.903 2.791 1.806) 5.127 2.146 ( 3.903 2.791 1.806) 5.127 2.185 ( -2.554 -1.452 2.776) 4.042 2.185 ( 2.554 -1.452 2.776) 4.042 2.445 ( -4.232 2.992 3.005) 5.991 2.445 ( 4.232 2.992 3.005) 5.991 2.485 ( -3.817 -0.707 1.224) 4.070 2.485 ( 3.817 -0.707 1.224) 4.070 2.815 ( -4.446 6.650 5.220) 9.551 2.815 ( 4.446 6.650 5.220) 9.551 2.919 ( -1.334 -2.643 3.173) 4.340 2.919 ( 1.334 -2.643 3.173) 4.340 3.272 ( -4.966 4.602 -1.557) 6.947 3.272 ( 4.966 4.602 -1.557) 6.947 3.442 ( -5.456 -11.980 2.438) 13.387 3.442 ( 5.456 -11.980 2.438) 13.387 3.836 ( -7.077 6.659 2.550) 10.046 3.836 ( 7.077 6.659 2.550) 10.046 3.986 ( -7.230 -7.249 2.855) 10.629 3.986 ( 7.230 -7.249 2.855) 10.629 4.286 ( -2.882 5.672 -1.875) 6.633 4.286 ( 2.882 5.672 -1.875) 6.633 4.385 ( -0.914 -3.731 -3.724) 5.350 4.385 ( 0.914 -3.731 -3.724) 5.350 4.726 ( -7.790 2.046 -1.358) 8.168 4.726 ( 7.790 2.046 -1.358) 8.168 4.788 ( -5.451 -4.081 -1.107) 6.899 4.788 ( 5.451 -4.081 -1.107) 6.899 5.199 ( -3.259 7.552 3.487) 8.934 5.199 ( 3.259 7.552 3.487) 8.934 5.257 ( -3.344 2.331 1.591) 4.376 5.257 ( 3.344 2.331 1.591) 4.376 5.403 ( -3.477 16.225 1.677) 16.678 5.403 ( 3.477 16.225 1.677) 16.678 5.606 ( -4.471 0.444 1.928) 4.889 5.606 ( 4.471 0.444 1.928) 4.889 5.732 ( -5.165 8.323 -2.041) 10.006 5.732 ( 5.165 8.323 -2.041) 10.006 6.080 ( -5.201 -16.704 -1.712) 17.579 6.080 ( 5.201 -16.704 -1.712) 17.579 6.407 ( -6.808 10.246 -1.517) 12.394 6.407 ( 6.808 10.246 -1.517) 12.394 6.611 ( -5.214 -7.015 -2.293) 9.036 6.611 ( 5.214 -7.015 -2.293) 9.036 6.846 ( -3.597 4.912 8.970) 10.841 6.846 ( 3.597 4.912 8.970) 10.841 6.921 ( -2.827 -2.359 9.386) 10.082 6.921 ( 2.827 -2.359 9.386) 10.082 7.354 ( -6.205 7.020 -5.461) 10.844 7.354 ( 6.205 7.020 -5.461) 10.844 7.466 ( -1.353 -4.475 -5.672) 7.350 7.466 ( 1.353 -4.475 -5.672) 7.350 7.776 ( -2.151 5.053 -11.503) 12.746 7.776 ( 2.151 5.053 -11.503) 12.746 7.885 ( -2.508 -5.790 -13.056) 14.501 7.885 ( 2.508 -5.790 -13.056) 14.501 8.199 ( -6.540 6.785 2.399) 9.724 8.199 ( 6.540 6.785 2.399) 9.724 8.306 ( -6.329 -3.601 1.883) 7.521 8.306 ( 6.329 -3.601 1.883) 7.521 8.948 ( -5.832 5.890 -0.454) 8.301 8.948 ( 5.832 5.890 -0.454) 8.301 9.024 ( -8.080 -2.225 1.298) 8.481 9.024 ( 8.080 -2.225 1.298) 8.481 9.467 ( -0.260 13.888 2.831) 14.176 9.467 ( 0.260 13.888 2.831) 14.176 9.665 ( -4.729 -5.145 4.375) 8.245 9.665 ( 4.729 -5.145 4.375) 8.245 10.168 ( -10.575 10.441 2.814) 15.125 10.168 ( 10.575 10.441 2.814) 15.125 10.305 ( -8.767 -1.542 -7.248) 11.479 10.305 ( 8.767 -1.542 -7.248) 11.479 10.659 ( -11.154 4.724 -0.090) 12.113 10.659 ( 11.154 4.724 -0.090) 12.114 10.742 ( -12.079 -3.740 2.917) 12.977 10.742 ( 12.079 -3.740 2.917) 12.977 11.343 ( -1.213 20.445 -1.824) 20.562 11.343 ( 1.213 20.445 -1.824) 20.562 11.555 ( -1.007 2.278 -4.296) 4.966 11.555 ( 1.007 2.278 -4.296) 4.966 11.908 ( -0.703 16.976 4.814) 17.660 11.908 ( 0.703 16.976 4.814) 17.660 12.146 ( -2.789 -7.322 8.140) 11.299 12.146 ( 2.789 -7.322 8.140) 11.299 12.301 ( -1.245 6.154 2.250) 6.670 12.301 ( 1.245 6.154 2.250) 6.670 12.573 ( -4.975 -18.142 2.472) 18.973 12.573 ( 4.975 -18.142 2.472) 18.973 12.749 ( -4.734 10.453 -1.756) 11.608 12.749 ( 4.734 10.453 -1.756) 11.608 13.037 ( -1.152 -15.684 -2.696) 15.955 13.037 ( 1.152 -15.684 -2.696) 15.955 14.093 ( -2.842 12.818 -9.096) 15.972 14.093 ( 2.842 12.818 -9.096) 15.972 14.345 ( -1.704 -11.895 -8.263) 14.583 14.345 ( 1.704 -11.895 -8.263) 14.583 15.069 ( -4.823 12.863 4.961) 14.606 15.069 ( 4.823 12.863 4.961) 14.606 15.336 ( -2.428 -13.588 0.260) 13.805 15.336 ( 2.428 -13.588 0.260) 13.805 16.079 ( -6.009 10.906 -10.877) 16.534 16.079 ( 6.009 10.906 -10.877) 16.534 16.362 ( -4.411 -16.514 -10.150) 19.880 16.362 ( 4.411 -16.514 -10.150) 19.880 17.427 ( -4.650 5.585 10.009) 12.369 17.427 ( 4.650 5.585 10.009) 12.369 17.558 ( -2.388 -7.532 9.262) 12.174 17.558 ( 2.388 -7.532 9.262) 12.174 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.000 0.000 22.281) 22.281 1.914 ( 0.000 0.000 19.030) 19.030 2.066 ( 0.000 0.000 -18.059) 18.059 2.178 ( 0.000 0.000 -6.917) 6.917 2.265 ( 0.000 0.000 8.521) 8.521 2.357 ( 0.000 0.000 0.709) 0.709 2.407 ( 0.000 0.000 3.631) 3.631 2.451 ( 0.000 0.000 -1.012) 1.012 2.539 ( 0.000 0.000 7.384) 7.384 2.653 ( 0.000 0.000 0.820) 0.820 2.834 ( 0.000 0.000 -0.351) 0.351 2.901 ( 0.000 0.000 -5.514) 5.514 2.987 ( 0.000 0.000 3.292) 3.292 3.013 ( 0.000 0.000 2.994) 2.994 3.184 ( 0.000 0.000 0.040) 0.040 3.198 ( 0.000 0.000 3.096) 3.096 3.268 ( 0.000 0.000 -5.951) 5.951 3.305 ( 0.000 0.000 -6.748) 6.748 3.652 ( 0.000 0.000 11.499) 11.499 3.686 ( 0.000 0.000 1.403) 1.403 3.777 ( 0.000 0.000 7.545) 7.545 3.897 ( 0.000 0.000 -3.069) 3.069 4.076 ( 0.000 0.000 11.532) 11.532 4.102 ( 0.000 0.000 1.355) 1.355 4.141 ( 0.000 0.000 -0.479) 0.479 4.462 ( 0.000 0.000 -6.353) 6.353 4.568 ( 0.000 0.000 -4.611) 4.611 4.660 ( 0.000 0.000 -20.704) 20.704 4.759 ( 0.000 0.000 0.263) 0.263 4.828 ( 0.000 0.000 -5.782) 5.782 4.929 ( 0.000 0.000 0.926) 0.926 4.977 ( 0.000 0.000 -3.630) 3.630 5.145 ( 0.000 0.000 5.312) 5.312 5.193 ( 0.000 0.000 -1.892) 1.892 5.217 ( 0.000 0.000 -3.627) 3.627 5.278 ( 0.000 0.000 -7.170) 7.170 5.492 ( 0.000 0.000 10.056) 10.056 5.725 ( 0.000 0.000 -10.617) 10.617 5.847 ( 0.000 0.000 6.611) 6.611 5.989 ( 0.000 0.000 -7.145) 7.145 6.114 ( 0.000 0.000 18.233) 18.233 6.161 ( 0.000 0.000 13.493) 13.493 6.378 ( 0.000 0.000 -5.525) 5.525 6.410 ( 0.000 0.000 -10.008) 10.008 6.423 ( 0.000 0.000 9.886) 9.886 6.612 ( 0.000 0.000 -7.173) 7.173 6.844 ( 0.000 0.000 2.132) 2.132 6.847 ( 0.000 0.000 12.692) 12.692 6.860 ( 0.000 0.000 2.139) 2.139 7.055 ( 0.000 0.000 -4.906) 4.906 7.404 ( 0.000 0.000 17.948) 17.948 7.483 ( 0.000 0.000 1.510) 1.510 7.615 ( 0.000 0.000 -6.584) 6.584 7.732 ( 0.000 0.000 -14.365) 14.365 7.826 ( 0.000 0.000 1.257) 1.257 7.874 ( 0.000 0.000 -1.832) 1.832 7.942 ( 0.000 0.000 8.808) 8.808 7.964 ( 0.000 0.000 -1.327) 1.327 8.085 ( 0.000 0.000 -10.026) 10.026 8.193 ( 0.000 0.000 -14.207) 14.207 8.402 ( 0.000 0.000 6.479) 6.479 8.502 ( 0.000 0.000 -2.740) 2.740 8.518 ( 0.000 0.000 0.929) 0.929 8.535 ( 0.000 0.000 -0.434) 0.434 8.912 ( 0.000 0.000 10.528) 10.528 8.930 ( 0.000 0.000 0.933) 0.933 8.981 ( 0.000 0.000 -2.528) 2.528 9.089 ( 0.000 0.000 -5.877) 5.877 9.093 ( 0.000 0.000 5.713) 5.713 9.233 ( 0.000 0.000 -9.977) 9.977 9.947 ( 0.000 0.000 0.485) 0.485 10.020 ( 0.000 0.000 -5.932) 5.932 10.045 ( 0.000 0.000 2.278) 2.278 10.103 ( 0.000 0.000 -4.359) 4.359 10.456 ( 0.000 0.000 5.810) 5.810 10.563 ( 0.000 0.000 -2.200) 2.200 10.718 ( 0.000 0.000 6.363) 6.363 10.752 ( 0.000 0.000 3.476) 3.476 10.848 ( 0.000 0.000 -3.267) 3.267 10.922 ( 0.000 0.000 -8.134) 8.134 10.990 ( 0.000 0.000 -0.623) 0.623 11.036 ( 0.000 0.000 -4.533) 4.533 11.132 ( 0.000 0.000 0.246) 0.246 11.155 ( 0.000 0.000 -1.811) 1.811 12.703 ( 0.000 0.000 -0.008) 0.008 12.716 ( 0.000 0.000 -1.224) 1.224 12.776 ( 0.000 0.000 6.286) 6.286 12.830 ( 0.000 0.000 1.168) 1.168 13.353 ( 0.000 0.000 5.365) 5.365 13.431 ( 0.000 0.000 -2.158) 2.158 13.632 ( 0.000 0.000 16.643) 16.643 13.845 ( 0.000 0.000 3.752) 3.752 13.918 ( 0.000 0.000 -3.367) 3.367 13.920 ( 0.000 0.000 -11.281) 11.281 13.945 ( 0.000 0.000 11.260) 11.260 14.276 ( 0.000 0.000 -21.398) 21.398 14.755 ( 0.000 0.000 1.085) 1.085 14.809 ( 0.000 0.000 -3.725) 3.725 15.709 ( 0.000 0.000 13.475) 13.475 15.973 ( 0.000 0.000 -12.037) 12.037 16.098 ( 0.000 0.000 7.122) 7.122 16.248 ( 0.000 0.000 -7.252) 7.252 17.161 ( 0.000 0.000 2.490) 2.490 17.206 ( 0.000 0.000 -2.331) 2.331 17.486 ( 0.000 0.000 6.482) 6.482 17.600 ( 0.000 0.000 -4.546) 4.546 18.009 ( 0.000 0.000 5.214) 5.214 18.071 ( 0.000 0.000 -0.769) 0.769 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 5.170 0.000 20.939) 21.568 1.908 ( 1.009 0.000 19.477) 19.503 2.056 ( -6.113 0.000 -0.176) 6.115 2.130 ( -4.783 0.000 -1.256) 4.945 2.143 ( -1.725 0.000 -3.564) 3.959 2.338 ( -4.656 0.000 -9.220) 10.329 2.382 ( -1.308 0.000 2.814) 3.103 2.407 ( -2.001 0.000 1.191) 2.329 2.630 ( 4.942 0.000 2.042) 5.348 2.722 ( 4.195 0.000 -2.920) 5.111 2.814 ( -9.446 0.000 5.510) 10.935 2.886 ( 5.998 0.000 4.877) 7.731 2.966 ( -9.774 0.000 -6.858) 11.940 2.997 ( 5.561 0.000 -4.839) 7.371 3.036 ( -6.421 0.000 2.673) 6.955 3.097 ( -6.295 0.000 -2.834) 6.903 3.176 ( -1.672 0.000 2.230) 2.787 3.270 ( -3.142 0.000 -5.998) 6.771 3.818 ( 3.681 0.000 7.169) 8.059 3.899 ( 16.349 0.000 4.846) 17.052 3.945 ( 3.649 0.000 -4.725) 5.970 3.959 ( 12.100 0.000 -1.401) 12.180 4.035 ( -4.172 0.000 5.979) 7.291 4.138 ( -1.806 0.000 -3.156) 3.636 4.148 ( 10.512 0.000 21.350) 23.798 4.480 ( 2.174 0.000 -1.931) 2.908 4.524 ( -3.161 0.000 -2.933) 4.312 4.779 ( 1.795 0.000 -0.222) 1.808 4.790 ( 11.390 0.000 -20.764) 23.683 4.837 ( 0.253 0.000 -5.253) 5.259 4.937 ( 0.735 0.000 1.518) 1.687 4.982 ( 0.341 0.000 -2.651) 2.673 5.147 ( 0.614 0.000 3.532) 3.585 5.164 ( -4.151 0.000 0.922) 4.252 5.243 ( -2.915 0.000 -5.306) 6.054 5.259 ( 2.058 0.000 -7.697) 7.968 5.455 ( -3.975 0.000 11.313) 11.991 5.592 ( -19.123 0.000 17.297) 25.786 5.745 ( -3.333 0.000 -7.366) 8.085 5.890 ( 3.708 0.000 5.681) 6.784 6.003 ( -0.089 0.000 -4.616) 4.617 6.055 ( -17.804 0.000 -17.119) 24.699 6.435 ( 3.598 0.000 7.201) 8.049 6.529 ( 12.452 0.000 4.925) 13.391 6.595 ( 6.133 0.000 -1.198) 6.249 6.608 ( -0.494 0.000 -8.814) 8.828 6.810 ( -3.168 0.000 3.912) 5.034 6.836 ( -3.776 0.000 2.240) 4.390 6.875 ( 3.076 0.000 12.640) 13.009 7.028 ( -2.414 0.000 -1.279) 2.732 7.464 ( 5.134 0.000 12.318) 13.345 7.529 ( 4.294 0.000 2.587) 5.013 7.635 ( 1.239 0.000 -4.589) 4.753 7.692 ( -3.499 0.000 -10.277) 10.857 7.840 ( 0.543 0.000 1.480) 1.577 7.884 ( -0.295 0.000 -2.783) 2.799 7.898 ( -0.523 0.000 12.898) 12.909 7.964 ( 1.431 0.000 -1.781) 2.285 8.083 ( 1.036 0.000 -10.102) 10.155 8.161 ( -2.395 0.000 -9.408) 9.708 8.366 ( -10.553 0.000 1.965) 10.734 8.436 ( 1.308 0.000 6.664) 6.791 8.445 ( -7.822 0.000 -5.166) 9.374 8.639 ( 5.870 0.000 -9.545) 11.206 8.813 ( 0.414 0.000 3.451) 3.475 8.881 ( -4.184 0.000 -3.725) 5.602 9.003 ( -0.372 0.000 4.017) 4.034 9.086 ( -2.233 0.000 -3.918) 4.509 9.226 ( 10.364 0.000 6.891) 12.446 9.361 ( 9.319 0.000 -5.721) 10.935 9.961 ( -6.725 0.000 4.762) 8.240 9.990 ( 6.540 0.000 7.120) 9.668 10.069 ( -4.825 0.000 -6.331) 7.960 10.165 ( 11.041 0.000 -9.029) 14.263 10.448 ( 1.057 0.000 3.693) 3.841 10.516 ( -13.872 0.000 10.545) 17.425 10.554 ( -0.721 0.000 -5.323) 5.371 10.684 ( -9.299 0.000 -5.054) 10.583 10.819 ( -1.960 0.000 -1.225) 2.311 10.888 ( -3.111 0.000 -6.668) 7.358 11.010 ( 1.452 0.000 0.024) 1.452 11.037 ( 0.005 0.000 -2.320) 2.320 11.149 ( 1.334 0.000 0.172) 1.345 11.170 ( 0.726 0.000 -1.736) 1.881 12.726 ( 2.256 0.000 1.062) 2.493 12.750 ( 2.101 0.000 -1.185) 2.412 12.840 ( 4.743 0.000 4.948) 6.854 12.876 ( 3.604 0.000 1.694) 3.982 13.345 ( -0.351 0.000 5.336) 5.348 13.410 ( -1.947 0.000 -0.662) 2.056 13.665 ( 2.917 0.000 13.813) 14.118 13.834 ( -4.833 0.000 5.237) 7.126 13.848 ( 0.438 0.000 2.562) 2.599 13.901 ( -1.502 0.000 -2.577) 2.982 14.017 ( 3.848 0.000 -7.254) 8.211 14.215 ( -5.169 0.000 -19.635) 20.304 14.764 ( 1.089 0.000 1.872) 2.166 14.814 ( -0.073 0.000 -2.695) 2.696 15.697 ( -0.410 0.000 8.860) 8.869 15.827 ( -7.312 0.000 -2.795) 7.828 16.281 ( 9.941 0.000 -1.367) 10.034 16.324 ( 5.901 0.000 -4.551) 7.452 17.117 ( -3.369 0.000 1.346) 3.628 17.147 ( -4.562 0.000 -1.820) 4.912 17.518 ( 2.484 0.000 5.104) 5.676 17.594 ( -0.740 0.000 -2.114) 2.240 18.030 ( 1.706 0.000 4.061) 4.405 18.073 ( -0.022 0.000 0.026) 0.034 ======================= Grid point 137 (48/60) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -9.360 0.000 17.021) 19.425 1.861 ( 9.360 0.000 17.021) 19.425 1.996 ( -7.062 0.000 12.773) 14.595 1.996 ( 7.062 0.000 12.773) 14.595 2.217 ( -5.879 0.000 -14.065) 15.245 2.217 ( 5.879 0.000 -14.065) 15.245 2.378 ( -0.826 0.000 0.786) 1.140 2.378 ( 0.826 0.000 0.786) 1.140 2.670 ( -2.245 0.000 -4.099) 4.673 2.670 ( 2.245 0.000 -4.099) 4.673 2.833 ( -4.244 0.000 0.302) 4.255 2.833 ( 4.244 0.000 0.302) 4.255 3.000 ( -2.489 0.000 -0.755) 2.601 3.000 ( 2.489 0.000 -0.755) 2.601 3.012 ( -4.604 0.000 3.586) 5.836 3.012 ( 4.604 0.000 3.586) 5.836 3.193 ( -3.718 0.000 -4.293) 5.679 3.193 ( 3.718 0.000 -4.293) 5.679 3.910 ( -4.975 0.000 4.979) 7.039 3.910 ( 4.975 0.000 4.979) 7.039 4.051 ( -1.456 0.000 -3.226) 3.539 4.051 ( 1.456 0.000 -3.226) 3.539 4.066 ( -4.705 0.000 -2.264) 5.221 4.066 ( 4.705 0.000 -2.264) 5.221 4.433 ( -7.238 0.000 5.310) 8.977 4.433 ( 7.238 0.000 5.310) 8.977 4.705 ( -21.343 0.000 15.219) 26.213 4.705 ( 21.343 0.000 15.219) 26.213 4.820 ( -1.852 0.000 -2.740) 3.307 4.820 ( 1.852 0.000 -2.740) 3.307 4.986 ( -1.023 0.000 0.090) 1.027 4.986 ( 1.023 0.000 0.090) 1.027 5.165 ( -11.864 0.000 -12.685) 17.368 5.165 ( 11.864 0.000 -12.685) 17.368 5.182 ( -2.685 0.000 -0.866) 2.821 5.182 ( 2.685 0.000 -0.866) 2.821 5.409 ( -2.992 0.000 10.569) 10.985 5.409 ( 2.992 0.000 10.569) 10.985 5.775 ( -7.065 0.000 -17.094) 18.497 5.775 ( 7.065 0.000 -17.094) 18.497 5.966 ( -3.117 0.000 1.499) 3.459 5.966 ( 3.117 0.000 1.499) 3.459 6.568 ( -6.174 0.000 -1.028) 6.259 6.568 ( 6.174 0.000 -1.028) 6.259 6.650 ( -0.835 0.000 1.204) 1.465 6.650 ( 0.835 0.000 1.204) 1.465 6.752 ( -1.710 0.000 1.366) 2.189 6.752 ( 1.710 0.000 1.366) 2.189 6.960 ( -4.255 0.000 6.039) 7.387 6.960 ( 4.255 0.000 6.039) 7.387 7.585 ( -6.255 0.000 2.003) 6.568 7.585 ( 6.255 0.000 2.003) 6.568 7.622 ( -3.319 0.000 0.530) 3.362 7.622 ( 3.319 0.000 0.530) 3.362 7.849 ( -1.532 0.000 -1.725) 2.307 7.849 ( 1.532 0.000 -1.725) 2.307 8.017 ( -10.070 0.000 9.159) 13.612 8.017 ( 10.070 0.000 9.159) 13.612 8.058 ( -6.285 0.000 -1.907) 6.568 8.058 ( 6.285 0.000 -1.907) 6.568 8.285 ( -5.572 0.000 -6.513) 8.571 8.285 ( 5.572 0.000 -6.513) 8.571 8.537 ( -9.242 0.000 -10.215) 13.775 8.537 ( 9.242 0.000 -10.215) 13.775 8.919 ( -5.686 0.000 2.699) 6.294 8.919 ( 5.686 0.000 2.699) 6.294 8.978 ( -7.252 0.000 -2.746) 7.755 8.978 ( 7.252 0.000 -2.746) 7.755 9.423 ( -5.969 0.000 5.568) 8.163 9.423 ( 5.969 0.000 5.568) 8.163 9.925 ( -5.809 0.000 -3.122) 6.595 9.925 ( 5.809 0.000 -3.122) 6.595 10.204 ( -12.976 0.000 10.801) 16.883 10.204 ( 12.976 0.000 10.801) 16.883 10.441 ( -12.691 0.000 -8.688) 15.380 10.441 ( 12.691 0.000 -8.688) 15.380 10.512 ( -3.723 0.000 -3.610) 5.186 10.512 ( 3.723 0.000 -3.610) 5.186 10.820 ( -2.498 0.000 -2.316) 3.407 10.820 ( 2.498 0.000 -2.316) 3.407 11.031 ( -0.621 0.000 -0.793) 1.007 11.031 ( 0.621 0.000 -0.793) 1.007 11.171 ( -0.608 0.000 -0.803) 1.007 11.171 ( 0.608 0.000 -0.803) 1.007 12.766 ( -0.903 0.000 0.468) 1.017 12.766 ( 0.903 0.000 0.468) 1.017 12.911 ( -1.202 0.000 3.569) 3.766 12.911 ( 1.202 0.000 3.569) 3.766 13.363 ( -2.167 0.000 2.237) 3.114 13.363 ( 2.167 0.000 2.237) 3.114 13.740 ( -4.281 0.000 9.933) 10.816 13.740 ( 4.281 0.000 9.933) 10.816 13.868 ( -1.484 0.000 -0.231) 1.502 13.868 ( 1.484 0.000 -0.231) 1.502 14.104 ( -4.995 0.000 -14.956) 15.768 14.104 ( 4.995 0.000 -14.956) 15.768 14.795 ( -1.612 0.000 0.455) 1.675 14.795 ( 1.612 0.000 0.455) 1.675 15.721 ( -3.081 0.000 2.119) 3.739 15.721 ( 3.081 0.000 2.119) 3.739 16.399 ( -0.564 0.000 -2.513) 2.576 16.399 ( 0.564 0.000 -2.513) 2.576 17.079 ( -0.848 0.000 -0.690) 1.094 17.079 ( 0.848 0.000 -0.690) 1.094 17.566 ( -1.982 0.000 1.997) 2.813 17.566 ( 1.982 0.000 1.997) 2.813 18.062 ( -1.141 0.000 1.925) 2.238 18.062 ( 1.141 0.000 1.925) 2.238 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.000 16.295 16.474) 23.171 1.935 ( 0.000 2.343 16.968) 17.129 2.208 ( 0.000 3.581 -5.942) 6.937 2.211 ( 0.000 8.261 -10.714) 13.529 2.365 ( 0.000 1.335 3.734) 3.965 2.382 ( 0.000 -0.821 1.659) 1.851 2.449 ( 0.000 1.545 4.392) 4.656 2.483 ( 0.000 6.883 0.539) 6.904 2.636 ( 0.000 13.181 0.502) 13.191 2.672 ( 0.000 3.467 -1.016) 3.613 2.896 ( 0.000 8.435 1.452) 8.559 2.905 ( 0.000 2.176 2.091) 3.018 3.014 ( 0.000 0.988 4.877) 4.976 3.082 ( 0.000 9.022 -2.342) 9.321 3.168 ( 0.000 0.703 0.669) 0.971 3.255 ( 0.000 0.865 -6.654) 6.710 3.404 ( 0.000 17.483 1.270) 17.529 3.475 ( 0.000 13.950 -4.720) 14.727 3.641 ( 0.000 2.207 11.328) 11.541 3.696 ( 0.000 1.679 1.354) 2.157 4.011 ( 0.000 -0.180 8.322) 8.324 4.029 ( 0.000 21.028 7.813) 22.432 4.211 ( 0.000 23.500 -5.988) 24.251 4.241 ( 0.000 5.400 -4.919) 7.305 4.340 ( 0.000 15.858 5.561) 16.805 4.551 ( 0.000 8.055 1.231) 8.149 4.573 ( 0.000 2.340 -1.955) 3.049 4.581 ( 0.000 -2.461 -8.992) 9.323 4.752 ( 0.000 -0.703 -8.421) 8.450 4.801 ( 0.000 -1.594 -7.937) 8.096 4.866 ( 0.000 -4.924 0.874) 5.001 4.923 ( 0.000 -4.647 -4.392) 6.394 5.164 ( 0.000 1.084 5.256) 5.367 5.212 ( 0.000 1.824 -1.793) 2.557 5.229 ( 0.000 0.731 -1.907) 2.042 5.330 ( 0.000 3.951 -8.454) 9.331 5.493 ( 0.000 2.004 4.965) 5.354 5.640 ( 0.000 -3.479 -5.418) 6.439 5.907 ( 0.000 -0.258 7.803) 7.807 6.024 ( 0.000 2.356 2.990) 3.806 6.167 ( 0.000 2.628 7.976) 8.398 6.220 ( 0.000 8.065 8.342) 11.603 6.386 ( 0.000 1.339 -5.319) 5.485 6.415 ( 0.000 3.339 -9.428) 10.002 6.531 ( 0.000 8.434 7.266) 11.132 6.670 ( 0.000 5.285 -3.879) 6.556 6.835 ( 0.000 1.189 5.713) 5.835 6.855 ( 0.000 0.895 0.390) 0.976 6.975 ( 0.000 9.855 9.839) 13.926 7.152 ( 0.000 8.861 -2.497) 9.206 7.440 ( 0.000 3.909 7.536) 8.490 7.442 ( 0.000 -2.684 -2.198) 3.469 7.591 ( 0.000 -2.328 -3.729) 4.396 7.622 ( 0.000 -5.606 -4.355) 7.099 7.840 ( 0.000 0.332 5.516) 5.526 7.950 ( 0.000 0.303 -0.707) 0.769 7.996 ( 0.000 0.831 -7.411) 7.457 8.018 ( 0.000 6.652 5.533) 8.652 8.122 ( 0.000 5.848 -13.838) 15.022 8.186 ( 0.000 0.875 -9.731) 9.770 8.507 ( 0.000 10.818 7.118) 12.950 8.528 ( 0.000 0.981 2.448) 2.637 8.566 ( 0.000 6.299 -1.180) 6.408 8.612 ( 0.000 9.903 -2.068) 10.116 8.913 ( 0.000 -1.723 7.577) 7.770 9.048 ( 0.000 0.898 -5.627) 5.699 9.075 ( 0.000 4.677 4.882) 6.761 9.117 ( 0.000 10.882 -2.005) 11.065 9.158 ( 0.000 12.197 0.258) 12.200 9.276 ( 0.000 5.211 -10.066) 11.335 9.974 ( 0.000 2.229 2.561) 3.395 10.022 ( 0.000 6.628 -2.608) 7.123 10.207 ( 0.000 11.539 -0.732) 11.562 10.220 ( 0.000 11.459 -1.537) 11.561 10.422 ( 0.000 -2.426 5.213) 5.750 10.549 ( 0.000 -0.995 -5.499) 5.588 10.742 ( 0.000 -5.773 2.183) 6.172 10.834 ( 0.000 7.968 3.755) 8.808 10.877 ( 0.000 10.820 6.001) 12.373 10.913 ( 0.000 3.804 -7.089) 8.045 11.111 ( 0.000 9.462 -4.574) 10.510 11.114 ( 0.000 6.443 -4.272) 7.731 11.208 ( 0.000 7.313 2.244) 7.649 11.275 ( 0.000 10.793 -4.128) 11.555 12.656 ( 0.000 -2.789 3.296) 4.318 12.694 ( 0.000 -1.726 -0.794) 1.900 12.854 ( 0.000 3.145 3.026) 4.365 12.867 ( 0.000 5.243 1.347) 5.414 13.309 ( 0.000 -4.637 3.932) 6.079 13.366 ( 0.000 -6.781 -1.503) 6.946 13.581 ( 0.000 -4.649 16.799) 17.431 13.733 ( 0.000 -8.833 0.323) 8.839 13.734 ( 0.000 -8.547 0.196) 8.549 13.911 ( 0.000 -2.442 -13.954) 14.166 14.178 ( 0.000 13.583 6.364) 15.000 14.386 ( 0.000 10.000 -15.219) 18.211 14.722 ( 0.000 -3.272 0.966) 3.412 14.777 ( 0.000 -3.147 -3.950) 5.050 15.661 ( 0.000 -4.753 13.250) 14.077 15.917 ( 0.000 -5.629 -11.487) 12.792 16.049 ( 0.000 -4.514 5.964) 7.480 16.192 ( 0.000 -5.449 -7.483) 9.256 17.109 ( 0.000 -5.798 1.042) 5.891 17.136 ( 0.000 -7.472 -1.827) 7.692 17.447 ( 0.000 -3.193 7.716) 8.351 17.572 ( 0.000 -2.321 -4.440) 5.010 17.985 ( 0.000 -2.432 4.880) 5.452 18.037 ( 0.000 -3.322 -0.140) 3.325 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 1.800 7.163 17.733) 19.210 1.984 ( 4.391 12.012 14.957) 19.680 2.136 ( -5.458 2.097 -2.003) 6.180 2.229 ( -0.523 5.757 -5.643) 8.079 2.281 ( -5.424 12.619 5.908) 14.952 2.366 ( -2.250 0.799 1.554) 2.849 2.399 ( -0.297 0.105 0.548) 0.632 2.489 ( -4.062 8.585 -8.177) 12.533 2.655 ( 3.499 4.473 1.573) 5.893 2.720 ( 1.349 1.240 -3.654) 4.087 2.804 ( -6.957 1.393 8.199) 10.842 2.942 ( -1.100 4.138 -2.169) 4.799 2.963 ( -0.974 3.168 0.240) 3.323 3.015 ( -5.635 1.207 -2.748) 6.384 3.112 ( -2.267 6.613 0.214) 6.995 3.140 ( -2.431 8.970 -2.290) 9.571 3.372 ( -0.459 16.938 0.783) 16.963 3.435 ( -2.187 15.049 -4.799) 15.947 3.884 ( 15.369 1.980 6.550) 16.823 3.941 ( 11.216 0.263 -2.095) 11.413 4.064 ( 6.053 1.697 12.670) 14.144 4.072 ( 3.069 19.959 6.833) 21.318 4.210 ( -1.532 19.752 -5.347) 20.521 4.260 ( 2.087 7.616 -2.224) 8.204 4.339 ( 3.574 16.035 12.141) 20.428 4.502 ( -2.918 -0.255 -2.621) 3.931 4.534 ( -3.844 4.070 -2.348) 6.071 4.673 ( 7.815 0.244 -3.765) 8.678 4.736 ( 0.030 -6.966 -4.669) 8.386 4.840 ( 3.114 -0.679 -7.433) 8.087 4.916 ( 3.957 -1.185 -1.730) 4.478 4.972 ( 3.132 -1.393 -3.895) 5.189 5.145 ( -3.630 0.295 1.467) 3.926 5.193 ( -1.954 1.564 -0.993) 2.693 5.256 ( 1.335 0.967 -4.088) 4.408 5.312 ( -0.670 4.120 -3.600) 5.512 5.471 ( -2.417 3.213 4.375) 5.942 5.586 ( -18.379 0.700 19.191) 26.581 5.656 ( 0.174 -3.563 -6.014) 6.993 5.954 ( -11.922 -0.941 -9.009) 14.973 6.078 ( 1.937 9.974 1.062) 10.216 6.194 ( -5.585 9.902 -7.867) 13.825 6.464 ( 6.496 2.559 8.413) 10.933 6.559 ( 6.223 4.191 2.157) 7.806 6.596 ( 5.524 1.497 -1.215) 5.850 6.674 ( -0.032 5.178 -6.469) 8.286 6.824 ( -1.801 1.239 3.378) 4.024 6.836 ( -1.037 2.143 3.502) 4.235 6.992 ( 1.504 9.647 8.373) 12.862 7.107 ( -3.254 7.184 -0.778) 7.925 7.476 ( 4.086 -3.811 2.970) 6.328 7.511 ( 4.615 4.107 5.258) 8.113 7.595 ( 0.386 -2.242 -1.678) 2.827 7.692 ( 4.822 -1.438 -5.531) 7.477 7.796 ( -3.105 -1.826 4.295) 5.605 7.884 ( -5.952 -1.401 -3.069) 6.842 7.919 ( -2.832 -0.615 -2.060) 3.555 8.028 ( 0.054 5.157 -1.571) 5.391 8.091 ( 0.254 3.375 -3.490) 4.861 8.205 ( -4.576 3.796 -5.306) 7.969 8.387 ( -3.997 0.204 2.541) 4.741 8.440 ( -2.536 7.939 -4.936) 9.686 8.557 ( -3.209 7.997 3.815) 9.424 8.722 ( 1.316 6.891 -9.467) 11.783 8.996 ( 2.855 14.876 4.852) 15.906 9.058 ( -1.825 14.956 -1.636) 15.156 9.070 ( 6.177 2.091 3.013) 7.183 9.097 ( 4.999 6.848 0.382) 8.487 9.272 ( 3.866 5.694 1.426) 7.028 9.358 ( 6.751 1.631 -5.868) 9.093 9.953 ( -2.651 1.423 3.522) 4.632 10.009 ( -1.476 3.473 -1.837) 4.197 10.197 ( -0.447 10.819 3.421) 11.355 10.280 ( 4.747 8.938 -3.729) 10.786 10.429 ( 2.786 0.947 0.224) 2.951 10.497 ( -3.926 -2.759 -5.567) 7.350 10.645 ( -10.460 9.657 9.802) 17.285 10.760 ( -1.736 -2.136 1.364) 3.072 10.825 ( -4.252 7.193 -5.076) 9.777 10.906 ( -3.681 6.882 -7.743) 10.994 11.098 ( 1.427 6.697 0.432) 6.861 11.145 ( 0.482 10.616 -2.906) 11.018 11.216 ( 0.947 6.380 1.183) 6.557 11.269 ( -0.725 9.556 -3.507) 10.205 12.679 ( 1.966 -3.713 3.025) 5.177 12.711 ( 1.383 -2.581 0.045) 2.928 12.906 ( 4.222 3.502 3.654) 6.591 12.928 ( 4.383 5.283 1.419) 7.010 13.292 ( -1.134 -5.520 4.080) 6.957 13.348 ( -1.912 -6.329 -1.175) 6.715 13.587 ( 0.777 -7.021 13.389) 15.138 13.687 ( -3.155 -9.686 3.396) 10.738 13.759 ( 1.596 -6.811 -2.124) 7.311 13.873 ( -3.216 -3.208 -10.300) 11.257 14.203 ( 2.179 13.113 0.523) 13.303 14.339 ( -3.816 10.696 -12.950) 17.224 14.735 ( 1.365 -2.774 1.677) 3.517 14.785 ( 0.144 -2.812 -2.790) 3.964 15.656 ( 0.085 -4.069 8.859) 9.749 15.789 ( -6.766 -3.761 -3.229) 8.388 16.207 ( 8.768 -7.221 -1.303) 11.433 16.255 ( 4.856 -6.735 -5.071) 9.729 17.069 ( -3.086 -5.296 0.300) 6.137 17.087 ( -3.802 -6.473 -1.520) 7.659 17.481 ( 2.662 -3.178 6.023) 7.312 17.565 ( -0.860 -2.500 -2.007) 3.319 18.002 ( 1.433 -2.767 3.912) 5.001 18.038 ( -0.026 -3.364 0.508) 3.402 ======================= Grid point 142 (51/60) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -7.146 3.880 11.658) 14.214 1.992 ( 7.146 3.880 11.658) 14.214 2.108 ( -6.966 12.918 11.350) 18.553 2.108 ( 6.966 12.918 11.350) 18.553 2.303 ( -3.594 5.191 -4.793) 7.927 2.303 ( 3.594 5.191 -4.793) 7.927 2.413 ( -1.922 4.449 -4.063) 6.324 2.413 ( 1.922 4.449 -4.063) 6.324 2.673 ( -0.494 0.783 -2.253) 2.436 2.673 ( 0.494 0.783 -2.253) 2.436 2.831 ( -4.236 2.278 -0.647) 4.853 2.831 ( 4.236 2.278 -0.647) 4.853 2.985 ( -1.327 -0.217 -0.187) 1.357 2.985 ( 1.327 -0.217 -0.187) 1.357 3.110 ( -1.974 10.833 0.911) 11.049 3.110 ( 1.974 10.833 0.911) 11.049 3.389 ( -1.941 17.037 -2.921) 17.394 3.389 ( 1.941 17.037 -2.921) 17.394 4.036 ( -1.117 0.623 -2.665) 2.956 4.036 ( 1.117 0.623 -2.665) 2.956 4.123 ( -3.704 17.413 4.036) 18.255 4.123 ( 3.704 17.413 4.036) 18.255 4.248 ( -5.293 11.651 3.471) 13.259 4.248 ( 5.293 11.651 3.471) 13.259 4.430 ( -3.782 0.410 0.016) 3.804 4.430 ( 3.782 0.410 0.016) 3.804 4.689 ( -10.229 -4.032 3.755) 11.619 4.689 ( 10.229 -4.032 3.755) 11.619 4.790 ( -10.395 4.589 8.497) 14.189 4.790 ( 10.395 4.589 8.497) 14.189 5.004 ( -1.664 -0.104 -0.206) 1.680 5.004 ( 1.664 -0.104 -0.206) 1.680 5.076 ( -10.061 -3.077 -8.006) 13.221 5.076 ( 10.061 -3.077 -8.006) 13.221 5.284 ( -2.114 3.929 0.844) 4.541 5.284 ( 2.114 3.929 0.844) 4.541 5.436 ( -2.850 4.046 4.827) 6.913 5.436 ( 2.850 4.046 4.827) 6.913 5.716 ( -7.542 -2.162 -13.756) 15.836 5.716 ( 7.542 -2.162 -13.756) 15.836 6.124 ( -2.659 10.864 -1.335) 11.264 6.124 ( 2.659 10.864 -1.335) 11.264 6.579 ( -4.590 1.245 3.901) 6.152 6.579 ( 4.590 1.245 3.901) 6.152 6.669 ( -1.567 3.052 -2.808) 4.433 6.669 ( 1.567 3.052 -2.808) 4.433 6.804 ( -1.235 4.713 1.604) 5.129 6.804 ( 1.235 4.713 1.604) 5.129 7.041 ( -3.143 6.999 3.786) 8.556 7.041 ( 3.143 6.999 3.786) 8.556 7.557 ( -2.345 -2.573 3.838) 5.182 7.557 ( 2.345 -2.573 3.838) 5.182 7.641 ( -6.010 1.555 -2.331) 6.631 7.641 ( 6.010 1.555 -2.331) 6.631 7.814 ( -2.106 -2.958 -1.937) 4.116 7.814 ( 2.106 -2.958 -1.937) 4.116 7.982 ( -9.710 -0.781 5.262) 11.071 7.982 ( 9.710 -0.781 5.262) 11.071 8.080 ( -2.930 1.333 -3.714) 4.914 8.080 ( 2.930 1.333 -3.714) 4.914 8.393 ( -5.196 9.957 1.088) 11.284 8.393 ( 5.196 9.957 1.088) 11.284 8.602 ( -9.256 5.778 -11.312) 15.717 8.602 ( 9.256 5.778 -11.312) 15.717 9.062 ( -1.485 11.377 0.611) 11.490 9.062 ( 1.485 11.377 0.611) 11.490 9.145 ( -2.471 17.640 0.841) 17.832 9.145 ( 2.471 17.640 0.841) 17.832 9.387 ( -5.391 -2.093 4.495) 7.324 9.387 ( 5.391 -2.093 4.495) 7.324 9.935 ( -3.872 1.914 -2.622) 5.053 9.935 ( 3.872 1.914 -2.622) 5.053 10.283 ( -7.206 4.304 4.283) 9.423 10.283 ( 7.206 4.304 4.283) 9.423 10.448 ( -3.136 4.743 1.173) 5.806 10.448 ( 3.136 4.743 1.173) 5.806 10.615 ( -9.495 7.428 -5.586) 13.286 10.615 ( 9.495 7.428 -5.586) 13.286 10.827 ( -3.172 2.895 -4.094) 5.933 10.827 ( 3.172 2.895 -4.094) 5.933 11.133 ( -1.449 9.316 0.205) 9.430 11.133 ( 1.449 9.316 0.205) 9.430 11.244 ( -1.563 7.510 -1.902) 7.903 11.244 ( 1.563 7.510 -1.902) 7.903 12.718 ( -1.118 -3.799 2.032) 4.452 12.718 ( 1.118 -3.799 2.032) 4.452 12.972 ( -1.034 4.687 3.277) 5.812 12.972 ( 1.034 4.687 3.277) 5.812 13.298 ( -2.099 -6.412 1.082) 6.833 13.298 ( 2.099 -6.412 1.082) 6.833 13.622 ( -2.714 -9.641 7.406) 12.457 13.622 ( 2.714 -9.641 7.406) 12.457 13.806 ( -2.956 -4.869 -5.219) 7.726 13.806 ( 2.956 -4.869 -5.219) 7.726 14.261 ( -3.452 12.175 -7.423) 14.671 14.261 ( 3.452 12.175 -7.423) 14.671 14.769 ( -1.569 -2.462 0.355) 2.941 14.769 ( 1.569 -2.462 0.355) 2.941 15.687 ( -3.189 -3.375 2.000) 5.056 15.687 ( 3.189 -3.375 2.000) 5.056 16.314 ( -0.804 -8.365 -2.796) 8.856 16.314 ( 0.804 -8.365 -2.796) 8.856 17.032 ( -0.481 -5.064 -0.965) 5.177 17.032 ( 0.481 -5.064 -0.965) 5.177 17.533 ( -2.190 -2.856 2.399) 4.326 17.533 ( 2.190 -2.856 2.399) 4.326 18.029 ( -0.975 -3.236 2.092) 3.975 18.029 ( 0.975 -3.236 2.092) 3.975 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.000 3.715 13.333) 13.841 2.092 ( 0.000 5.276 4.969) 7.248 2.275 ( 0.000 -0.111 -0.421) 0.435 2.297 ( 0.000 2.058 -3.315) 3.902 2.348 ( 0.000 0.739 4.995) 5.050 2.392 ( 0.000 0.623 0.822) 1.031 2.472 ( 0.000 3.220 2.307) 3.961 2.562 ( 0.000 1.234 -5.951) 6.078 2.749 ( 0.000 3.942 2.064) 4.450 2.776 ( 0.000 2.885 0.019) 2.885 2.990 ( 0.000 -0.334 2.447) 2.469 3.005 ( 0.000 3.624 2.227) 4.254 3.175 ( 0.000 4.059 3.454) 5.330 3.269 ( 0.000 7.124 -0.362) 7.133 3.335 ( 0.000 5.752 -3.855) 6.924 3.347 ( 0.000 21.135 -0.844) 21.152 3.749 ( 0.000 10.866 0.640) 10.885 3.758 ( 0.000 10.980 0.640) 10.999 3.798 ( 0.000 13.745 4.202) 14.372 3.825 ( 0.000 19.324 4.641) 19.874 4.053 ( 0.000 6.417 6.330) 9.014 4.144 ( 0.000 -6.378 1.114) 6.475 4.437 ( 0.000 -1.281 -9.035) 9.125 4.438 ( 0.000 1.876 -6.920) 7.170 4.507 ( 0.000 3.296 3.192) 4.588 4.542 ( 0.000 -2.547 0.769) 2.661 4.632 ( 0.000 2.649 -0.347) 2.671 4.709 ( 0.000 5.818 -5.841) 8.245 4.814 ( 0.000 1.150 -1.027) 1.542 4.851 ( 0.000 7.194 -2.952) 7.776 4.980 ( 0.000 14.479 1.193) 14.528 5.009 ( 0.000 19.446 -2.036) 19.552 5.172 ( 0.000 2.347 10.186) 10.452 5.251 ( 0.000 2.668 0.492) 2.713 5.261 ( 0.000 2.727 -0.128) 2.730 5.417 ( 0.000 5.696 -10.720) 12.139 5.619 ( 0.000 10.588 -3.232) 11.070 5.630 ( 0.000 3.309 -0.721) 3.387 5.882 ( 0.000 0.205 7.287) 7.290 6.043 ( 0.000 -1.958 -6.333) 6.629 6.215 ( 0.000 7.686 14.666) 16.558 6.392 ( 0.000 6.636 6.518) 9.302 6.460 ( 0.000 6.356 -4.847) 7.993 6.560 ( 0.000 7.729 -9.231) 12.040 6.636 ( 0.000 1.042 5.449) 5.548 6.765 ( 0.000 0.972 -3.799) 3.921 6.873 ( 0.000 2.979 3.192) 4.366 6.910 ( 0.000 7.001 2.228) 7.347 7.196 ( 0.000 9.157 9.958) 13.528 7.293 ( 0.000 3.179 6.214) 6.980 7.483 ( 0.000 7.592 -4.345) 8.748 7.530 ( 0.000 0.289 -8.478) 8.482 7.546 ( 0.000 -1.934 -4.192) 4.617 7.597 ( 0.000 7.794 0.296) 7.800 7.780 ( 0.000 -5.162 -0.531) 5.189 7.924 ( 0.000 -6.099 -8.580) 10.527 7.989 ( 0.000 3.566 -2.834) 4.555 8.050 ( 0.000 -5.216 -8.022) 9.569 8.229 ( 0.000 14.479 9.322) 17.221 8.423 ( 0.000 13.739 -8.176) 15.987 8.582 ( 0.000 3.110 9.388) 9.889 8.730 ( 0.000 11.164 -1.215) 11.230 8.791 ( 0.000 12.315 0.678) 12.334 8.826 ( 0.000 9.083 0.219) 9.086 8.855 ( 0.000 -0.447 5.049) 5.069 8.971 ( 0.000 -2.595 -8.629) 9.011 9.193 ( 0.000 8.666 5.082) 10.047 9.338 ( 0.000 7.199 -8.631) 11.239 9.528 ( 0.000 23.163 1.197) 23.194 9.556 ( 0.000 24.005 -1.987) 24.087 10.086 ( 0.000 6.279 6.016) 8.696 10.168 ( 0.000 8.416 -1.555) 8.558 10.357 ( 0.000 0.267 3.809) 3.818 10.456 ( 0.000 -0.415 -3.505) 3.530 10.528 ( 0.000 16.449 2.912) 16.705 10.587 ( 0.000 16.634 -2.057) 16.761 10.723 ( 0.000 4.779 1.956) 5.164 10.907 ( 0.000 5.117 -12.107) 13.144 11.100 ( 0.000 10.865 8.623) 13.871 11.188 ( 0.000 18.038 8.825) 20.081 11.256 ( 0.000 7.493 -5.848) 9.504 11.364 ( 0.000 16.087 -7.388) 17.703 11.415 ( 0.000 14.723 4.422) 15.372 11.538 ( 0.000 16.269 -6.976) 17.702 12.620 ( 0.000 -1.221 0.806) 1.464 12.623 ( 0.000 -5.162 0.844) 5.231 12.918 ( 0.000 -1.079 5.363) 5.471 12.951 ( 0.000 5.704 3.646) 6.769 13.158 ( 0.000 -11.171 1.245) 11.240 13.167 ( 0.000 -13.305 -1.258) 13.364 13.468 ( 0.000 -7.325 14.833) 16.544 13.547 ( 0.000 -10.262 -0.403) 10.269 13.613 ( 0.000 -1.574 -3.644) 3.970 13.841 ( 0.000 -3.884 -17.140) 17.575 14.438 ( 0.000 10.901 6.898) 12.900 14.572 ( 0.000 0.300 -5.991) 5.999 14.680 ( 0.000 7.014 -3.178) 7.700 14.706 ( 0.000 -2.405 -3.965) 4.637 15.535 ( 0.000 -7.605 12.331) 14.487 15.760 ( 0.000 -10.126 -9.492) 13.879 15.947 ( 0.000 -5.266 1.965) 5.620 16.052 ( 0.000 -8.332 -7.345) 11.107 16.909 ( 0.000 -15.331 -0.860) 15.355 16.916 ( 0.000 -13.763 -1.611) 13.857 17.402 ( 0.000 -0.776 9.338) 9.370 17.536 ( 0.000 -0.977 -3.866) 3.988 17.918 ( 0.000 -4.270 4.039) 5.878 17.948 ( 0.000 -5.619 1.221) 5.750 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.910 4.640 13.047) 13.878 2.128 ( 0.934 2.271 0.100) 2.457 2.241 ( -2.513 5.175 3.372) 6.668 2.286 ( -0.354 0.429 -0.038) 0.557 2.342 ( 0.220 0.674 4.932) 4.983 2.409 ( 1.320 0.654 -0.861) 1.706 2.444 ( -2.429 4.170 2.374) 5.378 2.545 ( -2.590 -0.434 -6.017) 6.565 2.744 ( -2.987 2.906 3.836) 5.664 2.784 ( 1.942 4.941 -0.384) 5.323 2.873 ( -5.639 2.585 4.852) 7.875 2.991 ( -3.476 1.889 -3.423) 5.231 3.055 ( -7.848 2.899 -2.473) 8.724 3.084 ( -5.261 5.573 -3.050) 8.249 3.446 ( 5.919 20.382 3.089) 21.448 3.475 ( 3.856 22.527 0.304) 22.857 3.691 ( -0.667 13.906 1.970) 14.061 3.730 ( -0.088 10.752 -1.977) 10.932 3.944 ( 4.861 3.687 1.073) 6.195 3.972 ( 5.301 4.038 -1.302) 6.790 4.118 ( 10.411 6.793 13.509) 18.358 4.217 ( 6.344 -5.075 2.083) 8.387 4.383 ( -3.254 -3.475 -3.331) 5.810 4.436 ( -1.046 0.745 -3.632) 3.852 4.500 ( 0.481 0.644 3.702) 3.788 4.584 ( 2.460 0.446 -2.033) 3.223 4.628 ( -0.324 13.171 -1.845) 13.304 4.660 ( -1.962 9.638 -3.889) 10.576 4.859 ( 3.492 0.262 0.365) 3.520 4.902 ( 3.101 0.838 -3.636) 4.852 5.005 ( 2.307 16.035 1.946) 16.316 5.034 ( 1.919 14.883 -0.559) 15.016 5.141 ( -3.073 0.236 4.259) 5.257 5.211 ( -4.491 1.121 -2.501) 5.261 5.303 ( 3.836 4.106 1.539) 5.826 5.397 ( -2.226 5.193 -3.757) 6.785 5.609 ( -0.634 9.360 -2.526) 9.715 5.644 ( -1.048 4.553 -1.542) 4.920 5.693 ( -9.146 10.574 10.585) 17.535 5.935 ( -9.833 -0.696 -7.479) 12.373 6.228 ( 3.004 7.189 4.029) 8.771 6.371 ( -4.549 7.905 -7.041) 11.522 6.551 ( 7.460 6.247 7.098) 12.044 6.638 ( 2.567 0.976 3.854) 4.732 6.692 ( 5.623 6.738 -3.688) 9.520 6.747 ( -0.717 0.397 -3.029) 3.138 6.871 ( 1.042 3.225 1.366) 3.654 6.916 ( 1.171 7.131 0.915) 7.284 7.176 ( -2.332 6.344 6.077) 9.089 7.252 ( -7.132 6.792 0.454) 9.859 7.422 ( 2.894 -1.064 4.003) 5.053 7.553 ( -0.553 -2.012 -2.668) 3.387 7.586 ( 1.882 1.181 -0.564) 2.292 7.681 ( 3.355 1.451 -9.251) 9.947 7.754 ( -1.953 -3.289 -0.949) 3.941 7.814 ( -4.086 -4.821 -5.576) 8.427 7.933 ( -1.276 2.995 2.836) 4.318 8.083 ( -1.530 2.607 -8.748) 9.256 8.227 ( -3.943 9.513 7.065) 12.489 8.362 ( -8.146 9.572 -5.402) 13.681 8.479 ( -1.349 9.739 6.465) 11.768 8.615 ( 2.455 7.618 -6.477) 10.296 8.781 ( -4.079 15.858 2.788) 16.610 8.870 ( -1.819 8.839 -5.002) 10.317 9.010 ( 11.671 -3.160 7.137) 14.040 9.141 ( 13.489 0.850 -3.015) 13.848 9.329 ( 7.088 9.847 3.850) 12.729 9.407 ( 2.680 14.504 -2.766) 15.006 9.531 ( 1.834 23.672 1.596) 23.797 9.583 ( 4.486 20.865 -4.500) 21.811 10.034 ( -3.941 5.513 3.907) 7.822 10.118 ( -5.129 6.798 -2.895) 8.994 10.323 ( -2.797 2.463 4.281) 5.676 10.424 ( -3.938 -0.037 -6.706) 7.777 10.566 ( 2.414 14.867 2.445) 15.259 10.613 ( 3.863 18.529 1.306) 18.972 10.719 ( 0.422 2.511 0.382) 2.574 10.883 ( -1.148 7.177 -9.449) 11.921 10.943 ( -9.008 11.236 9.718) 17.373 11.144 ( -8.239 10.874 -8.631) 16.143 11.298 ( 4.821 15.159 5.880) 16.959 11.382 ( -0.030 10.646 3.359) 11.164 11.439 ( 2.041 19.042 -4.584) 19.692 11.520 ( -1.520 16.421 -6.705) 17.802 12.602 ( 0.356 -4.641 3.892) 6.067 12.648 ( 0.500 -3.550 -0.346) 3.602 12.941 ( 2.899 -2.361 8.487) 9.274 13.020 ( 3.764 3.098 3.443) 5.968 13.124 ( -1.530 -11.396 0.368) 11.505 13.177 ( -0.210 -10.369 -3.326) 10.891 13.432 ( -2.239 -8.627 10.518) 13.787 13.501 ( -3.922 -9.184 0.424) 9.995 13.641 ( 2.332 -3.412 -3.346) 5.318 13.791 ( -4.225 -4.116 -13.357) 14.602 14.451 ( 1.224 9.620 2.516) 10.019 14.536 ( -2.720 3.978 -6.091) 7.767 14.693 ( 1.886 2.101 0.394) 2.851 14.737 ( 1.276 1.313 -3.024) 3.535 15.547 ( 1.300 -6.734 8.341) 10.798 15.685 ( -5.050 -6.871 -4.800) 9.786 16.030 ( 5.345 -9.756 -1.220) 11.191 16.083 ( 2.307 -10.036 -5.680) 11.761 16.887 ( -1.649 -13.743 -1.050) 13.881 16.894 ( -1.761 -12.699 -1.831) 12.951 17.431 ( 2.457 -1.209 7.480) 7.966 17.523 ( -1.242 -1.186 -1.616) 2.358 17.927 ( 0.768 -4.744 3.504) 5.947 17.949 ( -0.059 -5.663 1.558) 5.873 ======================= Grid point 147 (54/60) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -5.425 3.530 6.506) 9.176 2.060 ( 5.425 3.530 6.506) 9.176 2.256 ( -2.415 2.424 1.145) 3.608 2.256 ( 2.415 2.424 1.145) 3.608 2.378 ( -2.968 3.655 4.582) 6.570 2.378 ( 2.968 3.655 4.582) 6.570 2.465 ( -3.915 0.154 -3.163) 5.035 2.465 ( 3.915 0.154 -3.163) 5.035 2.720 ( -2.358 4.225 2.914) 5.648 2.720 ( 2.358 4.225 2.914) 5.648 2.911 ( -4.608 2.949 -1.390) 5.645 2.911 ( 4.608 2.949 -1.390) 5.645 3.008 ( -1.724 2.993 -3.528) 4.937 3.008 ( 1.724 2.993 -3.528) 4.937 3.504 ( -0.949 25.544 1.085) 25.585 3.504 ( 0.949 25.544 1.085) 25.585 3.717 ( -1.684 14.006 0.048) 14.107 3.717 ( 1.684 14.006 0.048) 14.107 3.992 ( -1.379 -5.351 -2.784) 6.188 3.992 ( 1.379 -5.351 -2.784) 6.188 4.308 ( -1.377 0.466 6.731) 6.886 4.308 ( 1.377 0.466 6.731) 6.886 4.369 ( -4.792 -2.337 0.252) 5.337 4.369 ( 4.792 -2.337 0.252) 5.337 4.571 ( -4.749 5.523 4.817) 8.733 4.571 ( 4.749 5.523 4.817) 8.733 4.631 ( -1.014 11.448 -2.578) 11.779 4.631 ( 1.014 11.448 -2.578) 11.779 4.957 ( -5.035 -0.941 -0.896) 5.200 4.957 ( 5.035 -0.941 -0.896) 5.200 5.019 ( -3.837 3.373 -1.177) 5.243 5.019 ( 3.837 3.373 -1.177) 5.243 5.111 ( -3.840 11.488 1.436) 12.198 5.111 ( 3.840 11.488 1.436) 12.198 5.349 ( -1.163 3.828 3.670) 5.429 5.349 ( 1.163 3.828 3.670) 5.429 5.584 ( -1.400 11.592 1.866) 11.824 5.584 ( 1.400 11.592 1.866) 11.824 5.743 ( -7.225 4.945 -8.356) 12.103 5.743 ( 7.225 4.945 -8.356) 12.103 6.293 ( -3.299 7.325 -3.369) 8.712 6.293 ( 3.299 7.325 -3.369) 8.712 6.632 ( -2.515 2.483 5.764) 6.762 6.632 ( 2.515 2.483 5.764) 6.762 6.759 ( -0.483 4.954 -2.852) 5.736 6.759 ( 0.483 4.954 -2.852) 5.736 6.940 ( -2.651 9.719 -0.108) 10.074 6.940 ( 2.651 9.719 -0.108) 10.074 7.124 ( -0.902 -0.460 1.554) 1.855 7.124 ( 0.902 -0.460 1.554) 1.855 7.506 ( -3.541 -2.350 4.037) 5.862 7.506 ( 3.541 -2.350 4.037) 5.862 7.647 ( -3.466 -1.709 -3.571) 5.262 7.647 ( 3.466 -1.709 -3.571) 5.262 7.758 ( -1.964 -2.621 -7.656) 8.327 7.758 ( 1.964 -2.621 -7.656) 8.327 8.019 ( -7.056 4.199 4.109) 9.182 8.019 ( 7.056 4.199 4.109) 9.182 8.172 ( -4.995 8.699 -1.771) 10.186 8.172 ( 4.995 8.699 -1.771) 10.186 8.594 ( -7.088 9.013 3.071) 11.871 8.594 ( 7.088 9.013 3.071) 11.871 8.786 ( -5.591 14.736 -7.860) 17.612 8.786 ( 5.591 14.736 -7.860) 17.612 9.248 ( -8.357 -3.140 5.879) 10.690 9.248 ( 8.357 -3.140 5.879) 10.690 9.374 ( -4.119 17.439 -0.121) 17.919 9.374 ( 4.119 17.439 -0.121) 17.919 9.645 ( -3.805 23.345 1.121) 23.679 9.645 ( 3.805 23.345 1.121) 23.679 10.001 ( -3.483 3.617 -3.727) 6.254 10.001 ( 3.483 3.617 -3.727) 6.254 10.320 ( -3.669 3.071 -0.890) 4.866 10.320 ( 3.669 3.071 -0.890) 4.866 10.643 ( -3.015 10.897 -2.240) 11.526 10.643 ( 3.015 10.897 -2.240) 11.526 10.767 ( -5.956 10.310 8.490) 14.624 10.767 ( 5.956 10.310 8.490) 14.624 10.966 ( -7.898 10.062 -8.801) 15.527 10.966 ( 7.898 10.062 -8.801) 15.527 11.363 ( -1.871 13.017 4.704) 13.967 11.363 ( 1.871 13.017 4.704) 13.967 11.482 ( -2.135 17.636 -6.334) 18.860 11.482 ( 2.135 17.636 -6.334) 18.860 12.633 ( -1.841 -4.943 3.366) 6.257 12.633 ( 1.841 -4.943 3.366) 6.257 13.013 ( -3.412 -4.572 8.111) 9.916 13.013 ( 3.412 -4.572 8.111) 9.916 13.149 ( -2.555 -6.385 -3.959) 7.936 13.149 ( 2.555 -6.385 -3.959) 7.936 13.427 ( -2.266 -9.578 3.870) 10.576 13.427 ( 2.266 -9.578 3.870) 10.576 13.703 ( -3.825 -4.277 -6.972) 9.029 13.703 ( 3.825 -4.277 -6.972) 9.029 14.485 ( -2.113 7.250 -3.177) 8.193 14.485 ( 2.113 7.250 -3.177) 8.193 14.734 ( -1.475 1.826 0.294) 2.366 14.734 ( 1.475 1.826 0.294) 2.366 15.595 ( -3.485 -5.778 1.071) 6.832 15.595 ( 3.485 -5.778 1.071) 6.832 16.103 ( -1.206 -12.035 -3.145) 12.498 16.103 ( 1.206 -12.035 -3.145) 12.498 16.868 ( -0.281 -11.872 -1.709) 11.997 16.868 ( 0.281 -11.872 -1.709) 11.997 17.485 ( -2.493 -1.444 3.137) 4.259 17.485 ( 2.493 -1.444 3.137) 4.259 17.942 ( -0.583 -5.454 2.444) 6.005 17.942 ( 0.583 -5.454 2.444) 6.005 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.000 3.618 8.885) 9.593 2.161 ( 0.000 2.276 0.204) 2.286 2.272 ( 0.000 0.005 0.606) 0.606 2.278 ( 0.000 -1.610 0.796) 1.796 2.389 ( 0.000 1.563 2.070) 2.594 2.395 ( 0.000 0.281 1.748) 1.770 2.551 ( 0.000 3.703 0.726) 3.774 2.583 ( 0.000 1.370 -2.363) 2.731 2.846 ( 0.000 4.885 2.461) 5.470 2.850 ( 0.000 5.936 0.652) 5.972 2.968 ( 0.000 -1.518 3.632) 3.937 3.017 ( 0.000 -1.308 0.733) 1.499 3.260 ( 0.000 5.194 3.604) 6.322 3.376 ( 0.000 1.512 -1.947) 2.465 3.409 ( 0.000 5.817 5.829) 8.235 3.609 ( 0.000 7.493 -4.628) 8.807 3.776 ( 0.000 -3.238 1.044) 3.402 3.777 ( 0.000 -7.978 -2.061) 8.240 3.998 ( 0.000 -2.693 9.011) 9.405 4.147 ( 0.000 -1.169 0.875) 1.461 4.172 ( 0.000 12.700 2.932) 13.034 4.211 ( 0.000 -1.322 -8.037) 8.145 4.389 ( 0.000 7.854 -1.500) 7.996 4.393 ( 0.000 -1.184 -1.649) 2.030 4.494 ( 0.000 -1.825 -3.043) 3.548 4.555 ( 0.000 3.197 -7.731) 8.366 4.730 ( 0.000 13.590 5.433) 14.636 4.815 ( 0.000 1.929 -3.080) 3.634 4.917 ( 0.000 4.383 1.776) 4.730 4.983 ( 0.000 15.958 -3.966) 16.444 5.151 ( 0.000 3.519 5.217) 6.293 5.221 ( 0.000 1.779 -0.994) 2.038 5.299 ( 0.000 4.689 6.445) 7.970 5.334 ( 0.000 5.614 0.288) 5.621 5.347 ( 0.000 8.113 2.603) 8.521 5.524 ( 0.000 2.675 -10.990) 11.311 5.807 ( 0.000 11.170 4.359) 11.991 5.880 ( 0.000 14.833 -0.363) 14.838 5.952 ( 0.000 6.964 2.535) 7.411 5.998 ( 0.000 -1.335 -3.329) 3.587 6.365 ( 0.000 -11.230 5.859) 12.667 6.483 ( 0.000 15.398 8.121) 17.408 6.531 ( 0.000 -13.858 -9.643) 16.883 6.574 ( 0.000 5.479 2.150) 5.886 6.728 ( 0.000 10.555 -2.724) 10.901 6.755 ( 0.000 4.252 -5.564) 7.003 6.990 ( 0.000 6.354 7.564) 9.879 7.075 ( 0.000 8.358 2.041) 8.604 7.271 ( 0.000 -0.042 9.009) 9.009 7.334 ( 0.000 1.888 10.100) 10.275 7.522 ( 0.000 -1.133 -0.951) 1.480 7.540 ( 0.000 1.148 -1.725) 2.072 7.577 ( 0.000 -1.781 -7.185) 7.402 7.675 ( 0.000 -4.652 -8.618) 9.793 7.708 ( 0.000 1.772 -5.112) 5.411 7.816 ( 0.000 -3.077 -10.061) 10.521 8.014 ( 0.000 2.331 -1.093) 2.575 8.140 ( 0.000 10.631 -12.350) 16.296 8.432 ( 0.000 -0.002 8.826) 8.826 8.619 ( 0.000 4.905 7.063) 8.599 8.621 ( 0.000 5.783 -5.066) 7.688 8.746 ( 0.000 -7.033 -9.070) 11.477 8.927 ( 0.000 7.193 1.156) 7.285 8.952 ( 0.000 8.237 -1.795) 8.430 9.043 ( 0.000 13.578 7.665) 15.592 9.159 ( 0.000 13.439 -2.487) 13.667 9.390 ( 0.000 10.000 6.450) 11.900 9.514 ( 0.000 10.354 -5.957) 11.946 9.940 ( 0.000 14.165 3.935) 14.701 9.971 ( 0.000 11.481 3.455) 11.990 10.153 ( 0.000 2.100 4.249) 4.740 10.344 ( 0.000 -1.096 -10.414) 10.471 10.433 ( 0.000 15.077 8.271) 17.197 10.489 ( 0.000 17.172 2.693) 17.381 10.813 ( 0.000 10.412 -0.651) 10.432 10.870 ( 0.000 9.482 -5.997) 11.219 10.955 ( 0.000 14.621 6.610) 16.046 11.098 ( 0.000 12.686 -7.578) 14.777 11.311 ( 0.000 10.907 0.374) 10.914 11.364 ( 0.000 4.161 -3.429) 5.392 11.550 ( 0.000 17.922 7.400) 19.389 11.674 ( 0.000 14.825 -4.490) 15.490 11.818 ( 0.000 25.699 4.522) 26.094 11.946 ( 0.000 25.186 -6.941) 26.125 12.507 ( 0.000 -6.406 3.714) 7.405 12.580 ( 0.000 -3.938 -3.772) 5.453 12.790 ( 0.000 -13.369 6.289) 14.774 12.838 ( 0.000 -17.879 2.940) 18.119 12.912 ( 0.000 -10.579 4.085) 11.340 13.026 ( 0.000 -2.167 -6.445) 6.800 13.291 ( 0.000 -10.371 11.697) 15.633 13.353 ( 0.000 -9.145 3.006) 9.626 13.690 ( 0.000 8.488 -5.780) 10.269 13.803 ( 0.000 1.592 -15.147) 15.230 14.428 ( 0.000 -10.638 -1.898) 10.806 14.440 ( 0.000 -8.752 -2.310) 9.051 14.831 ( 0.000 12.844 5.300) 13.894 14.942 ( 0.000 14.760 -5.696) 15.821 15.394 ( 0.000 -6.018 8.966) 10.799 15.539 ( 0.000 -11.980 -5.166) 13.046 15.862 ( 0.000 -3.274 -3.656) 4.908 15.890 ( 0.000 -7.656 -5.374) 9.354 16.572 ( 0.000 -17.684 -0.194) 17.685 16.607 ( 0.000 -16.509 -3.707) 16.920 17.424 ( 0.000 2.975 8.963) 9.444 17.541 ( 0.000 1.514 -2.560) 2.974 17.821 ( 0.000 -5.517 2.812) 6.193 17.821 ( 0.000 -7.247 2.928) 7.816 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 1.139 4.067 7.491) 8.599 2.164 ( -0.403 1.762 -1.105) 2.119 2.252 ( -1.275 -1.730 1.938) 2.894 2.276 ( -0.433 -1.095 0.088) 1.181 2.391 ( 1.632 2.731 3.735) 4.906 2.424 ( 1.661 1.180 0.069) 2.038 2.523 ( -2.614 3.566 0.969) 4.527 2.550 ( -3.009 1.346 -1.628) 3.677 2.821 ( -1.993 4.960 6.507) 8.421 2.878 ( 1.937 4.728 -0.530) 5.137 2.907 ( -3.296 1.403 3.870) 5.274 3.002 ( -1.749 -0.462 -1.269) 2.210 3.135 ( -7.551 5.122 -1.064) 9.186 3.200 ( -7.968 6.761 -6.061) 12.080 3.604 ( 12.907 0.413 12.118) 17.709 3.721 ( -0.227 -9.168 0.595) 9.190 3.775 ( 3.182 -2.116 -1.191) 4.002 3.846 ( 6.127 9.687 -6.741) 13.297 3.988 ( -2.787 -3.809 8.355) 9.596 4.093 ( -4.787 3.861 -1.164) 6.259 4.183 ( 3.766 1.327 1.329) 4.208 4.235 ( 1.067 -0.255 -3.353) 3.528 4.378 ( -2.069 -1.467 -2.221) 3.371 4.388 ( -1.704 -0.883 -2.975) 3.541 4.523 ( 5.379 8.260 2.537) 10.178 4.626 ( 5.599 4.498 -7.680) 10.515 4.786 ( 3.027 5.429 3.964) 7.372 4.829 ( 0.465 0.615 -1.102) 1.345 4.900 ( 0.642 11.722 4.977) 12.752 5.019 ( 3.685 13.956 -4.705) 15.182 5.159 ( -2.656 3.732 5.872) 7.447 5.222 ( 1.053 4.006 -0.228) 4.148 5.254 ( -1.439 4.576 0.124) 4.798 5.275 ( -4.413 6.921 -0.620) 8.231 5.407 ( 2.779 6.368 3.082) 7.601 5.502 ( -2.338 4.379 -5.258) 7.231 5.775 ( -1.640 7.348 4.739) 8.896 5.874 ( -3.287 4.903 -4.280) 7.291 5.905 ( -1.149 13.848 4.481) 14.600 5.959 ( -2.288 7.451 -0.704) 7.826 6.392 ( 3.334 1.778 1.916) 4.236 6.508 ( -1.237 0.740 -6.592) 6.748 6.563 ( 1.749 -4.482 1.229) 4.965 6.599 ( 1.083 -4.073 0.538) 4.249 6.729 ( 3.900 8.844 2.035) 9.878 6.825 ( 4.022 6.580 -4.253) 8.807 6.970 ( 1.189 5.970 6.355) 8.800 7.072 ( 0.355 6.956 1.419) 7.108 7.238 ( -4.757 1.678 8.756) 10.105 7.355 ( -1.896 2.101 2.335) 3.669 7.431 ( -5.199 2.872 0.451) 5.957 7.506 ( -2.812 -3.270 -0.437) 4.335 7.562 ( 0.540 -1.647 -3.621) 4.014 7.650 ( -2.631 -5.640 -6.575) 9.054 7.714 ( -0.864 -4.583 -8.202) 9.435 7.731 ( -3.968 0.207 -13.463) 14.037 8.031 ( 3.243 6.670 4.965) 8.925 8.179 ( 0.099 6.551 -7.423) 9.901 8.382 ( -7.328 4.100 5.505) 10.040 8.483 ( -9.254 2.742 -3.820) 10.380 8.672 ( 2.797 6.772 1.067) 7.404 8.717 ( 7.559 2.596 -1.985) 8.235 8.996 ( 6.014 3.401 6.856) 9.734 9.101 ( 5.981 7.972 0.104) 9.966 9.148 ( -0.578 18.776 -0.180) 18.786 9.159 ( 7.175 9.137 -2.655) 11.917 9.523 ( 10.811 8.479 5.567) 14.825 9.619 ( 8.043 7.644 -5.226) 12.265 9.908 ( 0.885 8.932 3.536) 9.647 9.964 ( -1.652 12.706 0.498) 12.823 10.143 ( -3.177 4.514 2.374) 6.009 10.284 ( -9.030 9.637 -7.020) 14.957 10.438 ( 3.493 6.384 2.031) 7.555 10.467 ( -0.623 16.160 0.949) 16.200 10.791 ( -0.283 5.676 4.095) 7.005 10.910 ( -0.677 14.727 -4.058) 15.290 10.969 ( 3.004 9.717 3.985) 10.923 11.044 ( -4.205 15.595 -4.620) 16.800 11.209 ( -5.473 14.154 2.691) 15.412 11.326 ( -4.168 8.386 -7.014) 11.700 11.605 ( 2.727 15.885 4.489) 16.731 11.647 ( -0.714 15.641 1.590) 15.737 11.860 ( 2.257 23.660 -0.527) 23.773 11.936 ( -1.283 24.738 -6.325) 25.566 12.491 ( -0.162 -6.298 5.520) 8.376 12.571 ( -1.245 -4.833 -1.684) 5.267 12.778 ( -0.253 -13.499 6.257) 14.881 12.830 ( -0.854 -15.631 2.465) 15.847 12.936 ( 1.993 -11.928 4.280) 12.829 13.035 ( -0.425 -6.908 -4.113) 8.051 13.241 ( -2.759 -11.024 6.090) 12.893 13.314 ( -3.767 -10.136 0.378) 10.820 13.692 ( 0.532 8.025 -4.942) 9.440 13.772 ( -2.563 3.981 -11.366) 12.313 14.430 ( 0.308 -9.540 -2.140) 9.782 14.442 ( 0.038 -9.073 -2.938) 9.537 14.864 ( 2.788 13.015 4.937) 14.196 14.946 ( -0.104 14.224 -2.913) 14.520 15.417 ( 2.165 -5.851 5.102) 8.059 15.520 ( -1.772 -9.790 -4.670) 10.991 15.873 ( 1.327 -5.498 -2.227) 6.078 15.907 ( 0.889 -6.316 -5.026) 8.120 16.570 ( -0.063 -17.683 -0.896) 17.706 16.597 ( -0.904 -16.745 -3.621) 17.156 17.445 ( 1.919 2.683 7.405) 8.107 17.528 ( -1.262 1.679 -0.719) 2.220 17.820 ( 0.009 -6.505 2.958) 7.146 17.822 ( 0.014 -6.639 2.748) 7.185 ======================= Grid point 152 (57/60) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -3.043 2.855 2.345) 4.786 2.124 ( 3.043 2.855 2.345) 4.786 2.255 ( -1.264 -1.602 0.601) 2.127 2.255 ( 1.264 -1.602 0.601) 2.127 2.445 ( -2.230 2.458 2.018) 3.884 2.445 ( 2.230 2.458 2.018) 3.884 2.482 ( -1.993 2.524 0.166) 3.220 2.482 ( 1.993 2.524 0.166) 3.220 2.820 ( -2.646 5.405 5.662) 8.262 2.820 ( 2.646 5.405 5.662) 8.262 2.947 ( -3.320 1.650 0.990) 3.837 2.947 ( 3.320 1.650 0.990) 3.837 3.091 ( -2.891 5.225 -6.392) 8.747 3.091 ( 2.891 5.225 -6.392) 8.747 3.736 ( -1.699 -9.984 -1.564) 10.248 3.736 ( 1.699 -9.984 -1.564) 10.248 3.858 ( -8.821 4.746 9.250) 13.635 3.858 ( 8.821 4.746 9.250) 13.635 3.993 ( -5.641 7.780 -2.606) 9.957 3.993 ( 5.641 7.780 -2.606) 9.957 4.249 ( -1.116 -4.655 -0.660) 4.832 4.249 ( 1.116 -4.655 -0.660) 4.832 4.345 ( -1.142 -1.362 -2.601) 3.150 4.345 ( 1.142 -1.362 -2.601) 3.150 4.662 ( -5.303 6.783 1.102) 8.681 4.662 ( 5.303 6.783 1.102) 8.681 4.804 ( -2.588 0.734 -1.278) 2.978 4.804 ( 2.588 0.734 -1.278) 2.978 5.021 ( -8.558 11.821 7.235) 16.289 5.021 ( 8.558 11.821 7.235) 16.289 5.135 ( -7.136 9.965 -2.448) 12.499 5.135 ( 7.136 9.965 -2.448) 12.499 5.258 ( -0.706 3.098 -1.686) 3.597 5.258 ( 0.706 3.098 -1.686) 3.597 5.448 ( -2.167 6.420 0.830) 6.827 5.448 ( 2.167 6.420 0.830) 6.827 5.789 ( -3.173 2.346 3.477) 5.260 5.789 ( 3.173 2.346 3.477) 5.260 5.920 ( -1.518 15.094 -2.286) 15.342 5.920 ( 1.518 15.094 -2.286) 15.342 6.471 ( -3.325 7.895 -2.750) 8.997 6.471 ( 3.325 7.895 -2.750) 8.997 6.572 ( -1.359 -9.037 -0.219) 9.141 6.572 ( 1.359 -9.037 -0.219) 9.141 6.838 ( -3.567 4.776 0.751) 6.008 6.838 ( 3.567 4.776 0.751) 6.008 7.091 ( -6.304 1.266 4.737) 7.986 7.091 ( 6.304 1.266 4.737) 7.986 7.161 ( -7.975 9.674 -0.487) 12.547 7.161 ( 7.975 9.674 -0.487) 12.547 7.459 ( -2.121 -2.450 2.440) 4.056 7.459 ( 2.121 -2.450 2.440) 4.056 7.585 ( -2.842 -3.771 -4.165) 6.296 7.585 ( 2.842 -3.771 -4.165) 6.296 7.698 ( -0.116 -3.910 -12.194) 12.806 7.698 ( 0.116 -3.910 -12.194) 12.806 8.129 ( -5.437 6.509 3.068) 9.019 8.129 ( 5.437 6.509 3.068) 9.019 8.319 ( -4.272 4.012 -0.431) 5.877 8.319 ( 4.272 4.012 -0.431) 5.877 8.778 ( -3.516 10.024 -0.220) 10.625 8.778 ( 3.516 10.024 -0.220) 10.625 9.116 ( -3.724 8.786 0.144) 9.544 9.116 ( 3.724 8.786 0.144) 9.544 9.190 ( -4.095 6.522 2.929) 8.239 9.190 ( 4.095 6.522 2.929) 8.239 9.701 ( -3.198 11.630 2.397) 12.298 9.701 ( 3.198 11.630 2.397) 12.298 9.997 ( -7.824 9.733 -0.109) 12.488 9.997 ( 7.824 9.733 -0.109) 12.488 10.050 ( -10.779 4.389 -6.305) 13.237 10.050 ( 10.779 4.389 -6.305) 13.237 10.487 ( -0.744 12.943 0.415) 12.971 10.487 ( 0.744 12.943 0.415) 12.971 10.829 ( -4.968 7.224 0.495) 8.781 10.829 ( 4.968 7.224 0.495) 8.781 11.003 ( -2.521 13.635 5.459) 14.902 11.003 ( 2.521 13.635 5.459) 14.902 11.214 ( -5.594 14.475 -6.750) 16.923 11.214 ( 5.594 14.475 -6.750) 16.923 11.639 ( -0.997 16.214 3.815) 16.687 11.639 ( 0.997 16.214 3.815) 16.687 11.897 ( -1.916 22.395 -4.568) 22.937 11.897 ( 1.916 22.395 -4.568) 22.937 12.524 ( -2.859 -5.799 5.035) 8.195 12.524 ( 2.859 -5.799 5.035) 8.195 12.800 ( -1.917 -13.128 2.647) 13.528 12.800 ( 1.917 -13.128 2.647) 13.528 12.988 ( -3.099 -12.852 2.800) 13.514 12.988 ( 3.099 -12.852 2.800) 13.514 13.240 ( -2.514 -10.945 -1.652) 11.351 13.240 ( 2.514 -10.945 -1.652) 11.351 13.720 ( -2.184 6.948 -6.366) 9.673 13.720 ( 2.184 6.948 -6.366) 9.673 14.439 ( -0.388 -8.967 -2.844) 9.415 14.439 ( 0.388 -8.967 -2.844) 9.415 14.921 ( -2.348 13.401 2.219) 13.785 14.921 ( 2.348 13.401 2.219) 13.785 15.472 ( -2.815 -6.733 -1.411) 7.433 15.472 ( 2.815 -6.733 -1.411) 7.433 15.905 ( -1.169 -6.221 -2.785) 6.915 15.905 ( 1.169 -6.221 -2.785) 6.915 16.577 ( -0.813 -17.340 -2.611) 17.554 16.577 ( 0.813 -17.340 -2.611) 17.554 17.491 ( -2.256 2.124 3.489) 4.666 17.491 ( 2.256 2.124 3.489) 4.666 17.822 ( -0.087 -6.763 2.830) 7.332 17.822 ( 0.087 -6.763 2.830) 7.332 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.000 2.899 5.347) 6.083 2.176 ( 0.000 -0.947 1.863) 2.090 2.261 ( 0.000 0.058 0.391) 0.395 2.269 ( 0.000 -0.403 -0.205) 0.452 2.406 ( 0.000 0.570 1.237) 1.362 2.408 ( 0.000 0.467 0.921) 1.033 2.602 ( 0.000 1.415 0.171) 1.425 2.607 ( 0.000 0.727 -0.357) 0.810 2.942 ( 0.000 2.355 5.341) 5.837 2.951 ( 0.000 2.897 0.777) 3.000 2.956 ( 0.000 1.914 0.713) 2.043 2.981 ( 0.000 -1.553 2.206) 2.698 3.360 ( 0.000 3.970 3.953) 5.602 3.386 ( 0.000 0.298 5.695) 5.703 3.510 ( 0.000 3.036 2.964) 4.243 3.592 ( 0.000 -7.791 4.285) 8.891 3.740 ( 0.000 1.689 0.993) 1.960 3.740 ( 0.000 6.512 -2.503) 6.977 3.878 ( 0.000 -6.736 -2.162) 7.074 3.955 ( 0.000 -11.435 -8.095) 14.011 4.205 ( 0.000 1.063 -1.495) 1.835 4.250 ( 0.000 -2.723 -5.198) 5.868 4.403 ( 0.000 1.780 -2.496) 3.066 4.433 ( 0.000 -1.106 -4.311) 4.450 4.550 ( 0.000 4.991 6.748) 8.393 4.607 ( 0.000 -0.122 1.514) 1.519 4.821 ( 0.000 0.645 -4.554) 4.599 4.829 ( 0.000 -0.001 -4.495) 4.495 5.171 ( 0.000 1.475 5.505) 5.699 5.191 ( 0.000 0.126 3.357) 3.360 5.283 ( 0.000 7.061 -0.005) 7.061 5.322 ( 0.000 6.445 -3.477) 7.323 5.361 ( 0.000 12.731 9.242) 15.732 5.512 ( 0.000 -0.316 -4.862) 4.872 5.532 ( 0.000 14.272 0.412) 14.278 5.546 ( 0.000 15.281 -0.565) 15.292 5.934 ( 0.000 2.853 1.547) 3.246 5.972 ( 0.000 -0.976 -1.425) 1.727 5.995 ( 0.000 -12.866 3.300) 13.283 6.084 ( 0.000 -8.796 -4.656) 9.952 6.161 ( 0.000 0.494 0.755) 0.903 6.164 ( 0.000 -8.852 -0.577) 8.871 6.643 ( 0.000 2.466 0.576) 2.532 6.651 ( 0.000 1.807 -0.787) 1.970 6.937 ( 0.000 8.054 0.966) 8.112 6.940 ( 0.000 9.560 -2.320) 9.838 7.082 ( 0.000 3.648 10.039) 10.681 7.158 ( 0.000 -1.349 8.210) 8.320 7.301 ( 0.000 4.887 -0.994) 4.987 7.370 ( 0.000 1.317 10.988) 11.067 7.455 ( 0.000 -7.146 -3.160) 7.814 7.457 ( 0.000 -4.577 9.713) 10.738 7.565 ( 0.000 1.124 -7.764) 7.845 7.600 ( 0.000 -2.776 -11.459) 11.791 7.738 ( 0.000 1.888 -11.543) 11.697 7.779 ( 0.000 -1.968 -13.162) 13.308 8.129 ( 0.000 8.116 5.489) 9.798 8.282 ( 0.000 -4.312 4.452) 6.198 8.379 ( 0.000 6.009 -12.101) 13.510 8.553 ( 0.000 -9.011 -15.812) 18.200 8.707 ( 0.000 2.224 3.032) 3.760 8.715 ( 0.000 1.080 2.406) 2.637 9.059 ( 0.000 4.900 1.533) 5.134 9.073 ( 0.000 3.508 0.235) 3.515 9.293 ( 0.000 8.909 4.373) 9.924 9.338 ( 0.000 4.058 0.551) 4.095 9.555 ( 0.000 6.911 4.858) 8.448 9.639 ( 0.000 0.267 -3.573) 3.583 10.032 ( 0.000 0.677 9.460) 9.484 10.049 ( 0.000 0.067 6.182) 6.183 10.213 ( 0.000 3.397 -0.172) 3.402 10.278 ( 0.000 -3.172 -4.185) 5.251 10.820 ( 0.000 14.202 5.851) 15.360 10.847 ( 0.000 9.819 2.270) 10.078 11.004 ( 0.000 9.789 0.512) 9.802 11.016 ( 0.000 5.428 0.927) 5.507 11.173 ( 0.000 8.702 -1.601) 8.848 11.258 ( 0.000 1.768 -5.180) 5.474 11.429 ( 0.000 3.755 -6.242) 7.285 11.470 ( 0.000 3.217 -8.335) 8.934 11.866 ( 0.000 12.128 6.092) 13.572 11.916 ( 0.000 7.546 1.512) 7.696 12.330 ( 0.000 22.418 5.256) 23.026 12.399 ( 0.000 -2.180 3.507) 4.130 12.426 ( 0.000 7.033 -2.746) 7.550 12.445 ( 0.000 1.691 0.292) 1.716 12.511 ( 0.000 -12.061 1.651) 12.174 12.514 ( 0.000 -6.724 -0.597) 6.750 12.754 ( 0.000 -7.672 2.567) 8.090 12.873 ( 0.000 -12.283 -7.770) 14.534 13.106 ( 0.000 -5.550 8.719) 10.336 13.167 ( 0.000 -9.506 2.898) 9.938 13.910 ( 0.000 13.248 -4.667) 14.046 13.943 ( 0.000 11.860 -8.479) 14.579 14.185 ( 0.000 -13.728 -3.174) 14.090 14.210 ( 0.000 -13.666 -5.644) 14.786 15.083 ( 0.000 12.114 6.398) 13.700 15.197 ( 0.000 9.800 -4.967) 10.987 15.310 ( 0.000 -11.048 1.539) 11.154 15.313 ( 0.000 -2.976 1.292) 3.244 15.782 ( 0.000 -2.281 -2.108) 3.106 15.807 ( 0.000 -2.959 -4.791) 5.631 16.300 ( 0.000 -7.469 -1.820) 7.688 16.333 ( 0.000 -9.728 -5.024) 10.949 17.514 ( 0.000 5.950 7.188) 9.331 17.587 ( 0.000 2.117 0.230) 2.130 17.680 ( 0.000 -5.805 4.074) 7.092 17.711 ( 0.000 -5.371 1.278) 5.521 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.868 2.788 4.028) 4.975 2.182 ( 0.612 -0.772 1.046) 1.437 2.228 ( -2.309 0.193 0.554) 2.383 2.250 ( -1.643 -1.478 -0.624) 2.296 2.433 ( 2.560 1.570 1.918) 3.564 2.445 ( 2.614 0.488 0.743) 2.761 2.572 ( -2.806 1.226 0.509) 3.105 2.576 ( -2.816 0.726 0.111) 2.910 2.909 ( -1.377 3.277 5.920) 6.906 2.942 ( -0.921 1.399 1.533) 2.271 2.960 ( 0.358 2.669 0.806) 2.811 2.983 ( -0.229 -0.701 0.562) 0.927 3.254 ( -4.722 7.528 3.324) 9.488 3.351 ( -6.594 7.497 -4.240) 10.847 3.466 ( -3.370 -10.391 5.064) 12.041 3.547 ( -2.250 -8.718 -1.366) 9.107 3.765 ( 7.772 3.127 7.695) 11.375 3.871 ( 5.005 -6.729 8.922) 12.245 3.965 ( 8.597 3.787 -8.756) 12.842 4.038 ( 2.400 -4.380 -6.474) 8.177 4.188 ( -0.559 0.567 0.265) 0.839 4.228 ( -1.470 -2.738 -4.142) 5.178 4.351 ( -4.139 0.195 -2.089) 4.640 4.368 ( -4.545 -0.707 -2.807) 5.388 4.627 ( 5.258 2.734 4.000) 7.150 4.662 ( 4.869 -0.388 0.163) 4.887 4.810 ( -1.589 0.116 -2.315) 2.810 4.819 ( -1.230 -0.686 -3.169) 3.468 5.184 ( 1.678 2.817 3.638) 4.898 5.220 ( 2.455 -0.764 1.797) 3.137 5.277 ( -1.078 6.887 -0.441) 6.985 5.306 ( -1.252 2.052 -1.360) 2.762 5.402 ( 3.867 17.644 7.815) 19.681 5.528 ( 0.191 19.219 -1.845) 19.308 5.542 ( 2.127 1.044 0.824) 2.508 5.584 ( 3.092 14.807 -2.065) 15.267 5.838 ( -7.706 -4.249 2.065) 9.039 5.845 ( -6.703 1.361 1.716) 7.052 6.016 ( 0.751 -10.905 1.119) 10.988 6.072 ( -1.470 -13.381 -4.797) 14.290 6.250 ( 6.723 -1.317 0.860) 6.904 6.282 ( 8.324 -0.822 -2.358) 8.691 6.609 ( -4.476 1.121 -0.852) 4.693 6.623 ( -2.771 0.105 -1.665) 3.235 6.969 ( 1.903 9.879 2.920) 10.476 6.984 ( 2.746 9.576 -0.031) 9.962 7.049 ( 0.468 1.229 8.641) 8.740 7.128 ( -1.265 -2.177 5.340) 5.904 7.297 ( -2.330 4.795 5.406) 7.592 7.365 ( 1.242 -0.060 2.695) 2.967 7.424 ( -2.123 -3.398 6.469) 7.609 7.445 ( -1.711 -4.009 0.475) 4.384 7.556 ( -1.250 1.060 -8.342) 8.502 7.588 ( -1.957 -0.777 -13.144) 13.312 7.643 ( -5.365 -0.434 -9.653) 11.052 7.698 ( -6.284 -3.380 -13.645) 15.398 8.175 ( 2.935 7.278 5.281) 9.459 8.268 ( -0.463 -0.119 0.109) 0.490 8.413 ( -4.871 2.055 -1.465) 5.486 8.478 ( -8.391 -2.767 -4.918) 10.112 8.728 ( 10.436 1.022 -0.928) 10.527 8.743 ( 9.003 -0.019 -2.086) 9.241 9.092 ( 0.714 4.568 3.525) 5.814 9.135 ( 2.607 0.172 0.012) 2.613 9.440 ( 7.986 11.618 1.889) 14.224 9.463 ( 5.328 11.674 0.067) 12.833 9.606 ( 7.792 -0.019 3.943) 8.733 9.666 ( 3.206 -3.359 -2.358) 5.208 10.004 ( 0.985 4.177 5.291) 6.813 10.068 ( 0.803 -0.423 4.610) 4.698 10.200 ( -1.726 4.102 -3.532) 5.682 10.298 ( -0.942 -4.129 -8.466) 9.466 10.737 ( -4.925 14.109 8.768) 17.326 10.804 ( -3.452 9.496 2.994) 10.538 10.900 ( -5.899 5.181 3.275) 8.507 10.974 ( -4.616 -1.420 0.097) 4.830 11.244 ( 3.990 12.589 -1.606) 13.303 11.298 ( 2.823 7.783 -3.106) 8.843 11.420 ( -1.154 5.727 -5.715) 8.173 11.453 ( -1.183 3.301 -6.784) 7.637 11.915 ( 4.569 13.439 4.498) 14.890 11.940 ( 2.826 11.381 2.261) 11.943 12.292 ( -5.184 13.582 1.651) 14.631 12.314 ( -5.745 3.933 0.186) 6.965 12.410 ( -0.444 -0.387 4.066) 4.109 12.463 ( 1.944 -4.247 0.742) 4.729 12.518 ( 0.511 -6.144 4.629) 7.710 12.597 ( 4.965 2.693 -2.301) 6.099 12.728 ( -1.877 -11.628 3.457) 12.276 12.833 ( -3.828 -10.471 -4.805) 12.140 13.019 ( -5.615 -8.713 4.525) 11.310 13.087 ( -6.496 -12.126 -0.409) 13.763 13.913 ( 0.640 13.726 -4.048) 14.325 13.948 ( -0.144 12.514 -7.348) 14.512 14.193 ( 0.711 -13.940 -3.238) 14.329 14.213 ( 0.074 -13.543 -5.213) 14.512 15.109 ( 2.214 11.347 5.610) 12.850 15.190 ( -0.924 9.553 -1.690) 9.745 15.311 ( 0.626 -8.139 0.940) 8.217 15.330 ( 0.612 -6.898 -0.689) 6.960 15.835 ( 5.109 2.597 -1.430) 5.907 15.876 ( 5.243 0.978 -5.682) 7.794 16.259 ( -3.399 -10.864 -1.783) 11.523 16.292 ( -3.662 -12.333 -5.029) 13.813 17.530 ( 1.480 5.750 6.151) 8.548 17.585 ( -0.410 3.555 0.851) 3.679 17.678 ( -0.021 -6.661 4.196) 7.872 17.703 ( -0.748 -5.832 1.823) 6.156 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -1.879 2.223 0.751) 3.006 2.172 ( 1.879 2.223 0.751) 3.006 2.215 ( -1.475 -2.190 0.473) 2.683 2.215 ( 1.475 -2.190 0.473) 2.683 2.490 ( -1.157 2.251 1.219) 2.809 2.490 ( 1.157 2.251 1.219) 2.809 2.517 ( -0.868 0.049 1.132) 1.427 2.517 ( 0.868 0.049 1.132) 1.427 2.917 ( -1.591 4.254 3.606) 5.799 2.917 ( 1.591 4.254 3.606) 5.799 2.968 ( -0.757 -0.487 1.411) 1.673 2.968 ( 0.757 -0.487 1.411) 1.673 3.232 ( -3.006 9.868 -1.840) 10.479 3.232 ( 3.006 9.868 -1.840) 10.479 3.473 ( -3.025 -14.037 0.541) 14.369 3.473 ( 3.025 -14.037 0.541) 14.369 3.935 ( -5.278 3.895 6.445) 9.196 3.935 ( 5.278 3.895 6.445) 9.196 4.022 ( -1.804 -3.902 -0.341) 4.312 4.022 ( 1.804 -3.902 -0.341) 4.312 4.223 ( -2.125 2.281 -2.877) 4.243 4.223 ( 2.125 2.281 -2.877) 4.243 4.288 ( -1.270 -3.662 -4.520) 5.955 4.288 ( 1.270 -3.662 -4.520) 5.955 4.732 ( -3.366 1.789 1.211) 3.999 4.732 ( 3.366 1.789 1.211) 3.999 4.772 ( -2.513 -2.418 -0.630) 3.544 4.772 ( 2.513 -2.418 -0.630) 3.544 5.233 ( -2.684 4.622 0.824) 5.408 5.233 ( 2.684 4.622 0.824) 5.408 5.273 ( -2.252 -0.081 -0.429) 2.294 5.273 ( 2.252 -0.081 -0.429) 2.294 5.492 ( -3.863 21.656 5.593) 22.698 5.492 ( 3.863 21.656 5.593) 22.698 5.609 ( -2.635 10.579 -2.590) 11.206 5.609 ( 2.635 10.579 -2.590) 11.206 5.746 ( -1.308 -3.254 2.731) 4.445 5.746 ( 1.308 -3.254 2.731) 4.445 6.036 ( -1.503 -14.302 -1.981) 14.516 6.036 ( 1.503 -14.302 -1.981) 14.516 6.385 ( -3.269 4.553 -0.563) 5.633 6.385 ( 3.269 4.553 -0.563) 5.633 6.535 ( -2.653 -5.102 -3.297) 6.629 6.535 ( 2.653 -5.102 -3.297) 6.629 6.997 ( -1.149 9.293 4.314) 10.310 6.997 ( 1.149 9.293 4.314) 10.310 7.107 ( -1.948 -1.351 6.936) 7.329 7.107 ( 1.948 -1.351 6.936) 7.329 7.322 ( -6.107 6.230 1.341) 8.826 7.322 ( 6.107 6.230 1.341) 8.826 7.409 ( -1.848 -3.070 2.955) 4.644 7.409 ( 1.848 -3.070 2.955) 4.644 7.541 ( -1.003 0.401 -9.786) 9.846 7.541 ( 1.003 0.401 -9.786) 9.846 7.605 ( -1.185 -5.087 -13.127) 14.128 7.605 ( 1.185 -5.087 -13.127) 14.128 8.252 ( -4.492 5.566 2.015) 7.431 8.252 ( 4.492 5.566 2.015) 7.431 8.331 ( -3.746 -2.156 0.343) 4.336 8.331 ( 3.746 -2.156 0.343) 4.336 8.950 ( -3.786 7.072 0.249) 8.026 8.950 ( 3.786 7.072 0.249) 8.026 9.062 ( -5.672 -4.735 1.681) 7.577 9.062 ( 5.672 -4.735 1.681) 7.577 9.510 ( -0.379 15.239 1.211) 15.292 9.510 ( 0.379 15.239 1.211) 15.292 9.729 ( -0.281 -6.670 1.852) 6.928 9.729 ( 0.281 -6.670 1.852) 6.928 10.120 ( -1.927 5.019 -3.832) 6.602 10.120 ( 1.927 5.019 -3.832) 6.602 10.151 ( -8.080 2.159 -5.197) 9.846 10.151 ( 8.080 2.159 -5.197) 9.846 10.732 ( -3.077 10.412 4.983) 11.946 10.732 ( 3.077 10.412 4.983) 11.946 10.866 ( -3.640 -2.964 4.492) 6.498 10.866 ( 3.640 -2.964 4.492) 6.498 11.308 ( -2.176 14.247 0.225) 14.414 11.308 ( 2.176 14.247 0.225) 14.414 11.422 ( -1.725 3.923 -7.006) 8.213 11.422 ( 1.725 3.923 -7.006) 8.213 12.000 ( -0.629 18.867 2.939) 19.105 12.000 ( 0.629 18.867 2.939) 19.105 12.204 ( -1.293 3.116 -0.120) 3.376 12.204 ( 1.293 3.116 -0.120) 3.376 12.444 ( -2.862 -0.719 8.711) 9.197 12.444 ( 2.862 -0.719 8.711) 9.197 12.585 ( -5.533 -10.768 -3.016) 12.477 12.585 ( 5.533 -10.768 -3.016) 12.477 12.754 ( -3.996 -0.869 2.210) 4.649 12.754 ( 3.996 -0.869 2.210) 4.649 12.979 ( -2.514 -15.240 -2.487) 15.645 12.979 ( 2.514 -15.240 -2.487) 15.645 13.933 ( -1.109 13.482 -5.094) 14.455 13.933 ( 1.109 13.482 -5.094) 14.455 14.208 ( -0.593 -13.778 -4.100) 14.388 14.208 ( 0.593 -13.778 -4.100) 14.388 15.157 ( -2.184 10.022 2.923) 10.665 15.157 ( 2.184 10.022 2.923) 10.665 15.328 ( -0.718 -7.970 -0.765) 8.039 15.328 ( 0.718 -7.970 -0.765) 8.039 15.932 ( -1.937 9.481 -3.613) 10.329 15.932 ( 1.937 9.481 -3.613) 10.329 16.221 ( -1.500 -18.033 -3.546) 18.440 16.221 ( 1.500 -18.033 -3.546) 18.440 17.564 ( -1.568 5.240 3.447) 6.465 17.564 ( 1.568 5.240 3.447) 6.465 17.686 ( -0.741 -6.873 3.188) 7.613 17.686 ( 0.741 -6.873 3.188) 7.613 =================== 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 3/27216 10.0 1451.977 2154.572 1651.992 0.000 0.000 0.000 3/27216 20.0 324.796 369.191 328.493 0.000 0.000 0.000 3/27216 30.0 112.383 140.929 116.744 0.000 0.000 0.000 3/27216 40.0 56.220 72.997 59.468 0.000 0.000 0.000 3/27216 50.0 34.554 45.860 36.853 0.000 0.000 0.000 3/27216 60.0 23.965 32.341 25.677 0.000 0.000 0.000 3/27216 70.0 17.957 24.558 19.298 0.000 0.000 0.000 3/27216 80.0 14.187 19.617 15.277 0.000 0.000 0.000 3/27216 90.0 11.642 16.252 12.555 0.000 0.000 0.000 3/27216 100.0 9.831 13.838 10.610 0.000 0.000 0.000 3/27216 110.0 8.486 12.034 9.163 0.000 0.000 0.000 3/27216 120.0 7.454 10.641 8.051 0.000 0.000 0.000 3/27216 130.0 6.640 9.537 7.173 0.000 0.000 0.000 3/27216 140.0 5.984 8.642 6.464 0.000 0.000 0.000 3/27216 150.0 5.445 7.904 5.882 0.000 0.000 0.000 3/27216 160.0 4.995 7.284 5.396 0.000 0.000 0.000 3/27216 170.0 4.615 6.757 4.984 0.000 0.000 0.000 3/27216 180.0 4.288 6.304 4.631 0.000 0.000 0.000 3/27216 190.0 4.006 5.909 4.326 0.000 0.000 0.000 3/27216 200.0 3.759 5.563 4.060 0.000 0.000 0.000 3/27216 210.0 3.541 5.256 3.825 0.000 0.000 0.000 3/27216 220.0 3.348 4.983 3.616 0.000 0.000 0.000 3/27216 230.0 3.175 4.737 3.430 0.000 0.000 0.000 3/27216 240.0 3.020 4.516 3.262 0.000 0.000 0.000 3/27216 250.0 2.880 4.315 3.111 0.000 0.000 0.000 3/27216 260.0 2.752 4.132 2.973 0.000 0.000 0.000 3/27216 270.0 2.636 3.964 2.848 0.000 0.000 0.000 3/27216 280.0 2.529 3.810 2.733 0.000 0.000 0.000 3/27216 290.0 2.431 3.668 2.627 0.000 0.000 0.000 3/27216 300.0 2.340 3.536 2.529 0.000 0.000 0.000 3/27216 310.0 2.257 3.414 2.439 0.000 0.000 0.000 3/27216 320.0 2.179 3.300 2.355 0.000 0.000 0.000 3/27216 330.0 2.106 3.193 2.277 0.000 0.000 0.000 3/27216 340.0 2.038 3.094 2.204 0.000 0.000 0.000 3/27216 350.0 1.975 3.000 2.135 0.000 0.000 0.000 3/27216 360.0 1.915 2.913 2.071 0.000 0.000 0.000 3/27216 370.0 1.860 2.830 2.011 0.000 0.000 0.000 3/27216 380.0 1.807 2.752 1.954 0.000 0.000 0.000 3/27216 390.0 1.757 2.678 1.901 0.000 0.000 0.000 3/27216 400.0 1.710 2.609 1.850 0.000 0.000 0.000 3/27216 410.0 1.666 2.542 1.802 0.000 0.000 0.000 3/27216 420.0 1.624 2.479 1.757 0.000 0.000 0.000 3/27216 430.0 1.584 2.420 1.713 0.000 0.000 0.000 3/27216 440.0 1.546 2.363 1.672 0.000 0.000 0.000 3/27216 450.0 1.509 2.309 1.633 0.000 0.000 0.000 3/27216 460.0 1.475 2.257 1.596 0.000 0.000 0.000 3/27216 470.0 1.442 2.207 1.560 0.000 0.000 0.000 3/27216 480.0 1.410 2.160 1.526 0.000 0.000 0.000 3/27216 490.0 1.380 2.115 1.494 0.000 0.000 0.000 3/27216 500.0 1.351 2.071 1.463 0.000 0.000 0.000 3/27216 510.0 1.324 2.030 1.433 0.000 0.000 0.000 3/27216 520.0 1.297 1.990 1.404 0.000 0.000 0.000 3/27216 530.0 1.272 1.951 1.377 0.000 0.000 0.000 3/27216 540.0 1.247 1.914 1.350 0.000 0.000 0.000 3/27216 550.0 1.224 1.879 1.325 0.000 0.000 0.000 3/27216 560.0 1.201 1.845 1.300 0.000 0.000 0.000 3/27216 570.0 1.179 1.812 1.277 0.000 0.000 0.000 3/27216 580.0 1.158 1.780 1.254 0.000 0.000 0.000 3/27216 590.0 1.138 1.749 1.232 0.000 0.000 0.000 3/27216 600.0 1.118 1.719 1.211 0.000 0.000 0.000 3/27216 610.0 1.100 1.691 1.191 0.000 0.000 0.000 3/27216 620.0 1.081 1.663 1.171 0.000 0.000 0.000 3/27216 630.0 1.064 1.636 1.152 0.000 0.000 0.000 3/27216 640.0 1.047 1.610 1.133 0.000 0.000 0.000 3/27216 650.0 1.030 1.585 1.116 0.000 0.000 0.000 3/27216 660.0 1.014 1.561 1.098 0.000 0.000 0.000 3/27216 670.0 0.999 1.537 1.082 0.000 0.000 0.000 3/27216 680.0 0.984 1.514 1.065 0.000 0.000 0.000 3/27216 690.0 0.969 1.492 1.049 0.000 0.000 0.000 3/27216 700.0 0.955 1.470 1.034 0.000 0.000 0.000 3/27216 710.0 0.941 1.449 1.019 0.000 0.000 0.000 3/27216 720.0 0.928 1.429 1.005 0.000 0.000 0.000 3/27216 730.0 0.915 1.409 0.991 0.000 0.000 0.000 3/27216 740.0 0.902 1.390 0.977 0.000 0.000 0.000 3/27216 750.0 0.890 1.371 0.964 0.000 0.000 0.000 3/27216 760.0 0.878 1.353 0.951 0.000 0.000 0.000 3/27216 770.0 0.866 1.335 0.938 0.000 0.000 0.000 3/27216 780.0 0.855 1.318 0.926 0.000 0.000 0.000 3/27216 790.0 0.844 1.301 0.914 0.000 0.000 0.000 3/27216 800.0 0.833 1.285 0.903 0.000 0.000 0.000 3/27216 810.0 0.823 1.269 0.891 0.000 0.000 0.000 3/27216 820.0 0.813 1.253 0.880 0.000 0.000 0.000 3/27216 830.0 0.803 1.238 0.870 0.000 0.000 0.000 3/27216 840.0 0.793 1.223 0.859 0.000 0.000 0.000 3/27216 850.0 0.783 1.209 0.849 0.000 0.000 0.000 3/27216 860.0 0.774 1.194 0.839 0.000 0.000 0.000 3/27216 870.0 0.765 1.181 0.829 0.000 0.000 0.000 3/27216 880.0 0.756 1.167 0.819 0.000 0.000 0.000 3/27216 890.0 0.748 1.154 0.810 0.000 0.000 0.000 3/27216 900.0 0.739 1.141 0.801 0.000 0.000 0.000 3/27216 910.0 0.731 1.128 0.792 0.000 0.000 0.000 3/27216 920.0 0.723 1.116 0.783 0.000 0.000 0.000 3/27216 930.0 0.715 1.104 0.775 0.000 0.000 0.000 3/27216 940.0 0.707 1.092 0.767 0.000 0.000 0.000 3/27216 950.0 0.700 1.080 0.758 0.000 0.000 0.000 3/27216 960.0 0.693 1.069 0.750 0.000 0.000 0.000 3/27216 970.0 0.685 1.058 0.743 0.000 0.000 0.000 3/27216 980.0 0.678 1.047 0.735 0.000 0.000 0.000 3/27216 990.0 0.671 1.037 0.727 0.000 0.000 0.000 3/27216 1000.0 0.665 1.026 0.720 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m497.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:30:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|