----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:34:04]------------------------- 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: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.727462271192101 0.000000000000000 0.000000000000000 b 0.000000000000000 5.422498189999999 0.000000000000000 c -5.473690288023578 0.000000000000000 10.430767902148038 Atomic positions (fractional): *1 F 0.29542774968231 0.56261694963106 0.91329404956655 18.998 2 F 0.70457225031769 0.06261694963106 0.58670595043345 18.998 3 F 0.70457225031769 0.43738305036894 0.08670595043345 18.998 4 F 0.29542774968231 0.93738305036894 0.41329404956655 18.998 *5 F 0.72347242289183 0.56291121742586 0.54274875188519 18.998 6 F 0.27652757710817 0.06291121742586 0.95725124811481 18.998 7 F 0.27652757710817 0.43708878257414 0.45725124811481 18.998 8 F 0.72347242289183 0.93708878257414 0.04274875188519 18.998 *9 F 0.47781307482016 0.22626255425799 0.85900126448345 18.998 10 F 0.52218692517984 0.72626255425799 0.64099873551655 18.998 11 F 0.52218692517984 0.77373744574201 0.14099873551655 18.998 12 F 0.47781307482016 0.27373744574201 0.35900126448345 18.998 *13 F 0.97886403764831 0.24628456501206 0.05118579687549 18.998 14 F 0.02113596235169 0.74628456501206 0.44881420312451 18.998 15 F 0.02113596235169 0.75371543498794 0.94881420312452 18.998 16 F 0.97886403764831 0.25371543498794 0.55118579687548 18.998 *17 F 0.27565787689214 0.03925032019392 0.63564385874758 18.998 18 F 0.72434212310786 0.53925032019392 0.86435614125242 18.998 19 F 0.72434212310786 0.96074967980608 0.36435614125242 18.998 20 F 0.27565787689214 0.46074967980608 0.13564385874758 18.998 *21 F 0.25447105248597 0.94627831118534 0.17622278427722 18.998 22 F 0.74552894751403 0.44627831118534 0.32377721572278 18.998 23 F 0.74552894751403 0.05372168881466 0.82377721572278 18.998 24 F 0.25447105248597 0.55372168881466 0.67622278427722 18.998 *25 F 0.03253657789264 0.58992040198285 0.23233601326504 18.998 26 F 0.96746342210736 0.08992040198285 0.26766398673496 18.998 27 F 0.96746342210736 0.41007959801715 0.76766398673496 18.998 28 F 0.03253657789264 0.91007959801715 0.73233601326504 18.998 *29 Ho 0.18595066965275 0.23926875676088 0.76421242152616 164.930 30 Ho 0.81404933034725 0.73926875676088 0.73578757847384 164.930 31 Ho 0.81404933034725 0.76073124323912 0.23578757847384 164.930 32 Ho 0.18595066965275 0.26073124323912 0.26421242152616 164.930 *33 Pt 0.72828768378030 0.24229264953697 0.95754954468887 195.084 34 Pt 0.27171231621970 0.74229264953697 0.54245045531113 195.084 35 Pt 0.27171231621970 0.75770735046303 0.04245045531113 195.084 36 Pt 0.72828768378030 0.25770735046303 0.45754954468887 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.727462271192101 0.000000000000000 0.000000000000000 b 0.000000000000000 5.422498189999999 0.000000000000000 c -5.473690288023578 0.000000000000000 10.430767902148038 Atomic positions (fractional): *1 F 0.29542774968231 0.56261694963106 0.91329404956655 18.998 > 1 2 F 0.70457225031769 0.06261694963106 0.58670595043345 18.998 > 2 3 F 0.70457225031769 0.43738305036894 0.08670595043345 18.998 > 3 4 F 0.29542774968231 0.93738305036894 0.41329404956655 18.998 > 4 *5 F 0.72347242289183 0.56291121742586 0.54274875188519 18.998 > 5 6 F 0.27652757710817 0.06291121742586 0.95725124811481 18.998 > 6 7 F 0.27652757710817 0.43708878257414 0.45725124811481 18.998 > 7 8 F 0.72347242289183 0.93708878257414 0.04274875188519 18.998 > 8 *9 F 0.47781307482016 0.22626255425799 0.85900126448345 18.998 > 9 10 F 0.52218692517984 0.72626255425799 0.64099873551655 18.998 > 10 11 F 0.52218692517984 0.77373744574201 0.14099873551655 18.998 > 11 12 F 0.47781307482016 0.27373744574201 0.35900126448345 18.998 > 12 *13 F 0.97886403764831 0.24628456501206 0.05118579687549 18.998 > 13 14 F 0.02113596235169 0.74628456501206 0.44881420312451 18.998 > 14 15 F 0.02113596235169 0.75371543498794 0.94881420312452 18.998 > 15 16 F 0.97886403764831 0.25371543498794 0.55118579687548 18.998 > 16 *17 F 0.27565787689214 0.03925032019392 0.63564385874758 18.998 > 17 18 F 0.72434212310786 0.53925032019392 0.86435614125242 18.998 > 18 19 F 0.72434212310786 0.96074967980608 0.36435614125242 18.998 > 19 20 F 0.27565787689214 0.46074967980608 0.13564385874758 18.998 > 20 *21 F 0.25447105248597 0.94627831118534 0.17622278427722 18.998 > 21 22 F 0.74552894751403 0.44627831118534 0.32377721572278 18.998 > 22 23 F 0.74552894751403 0.05372168881466 0.82377721572278 18.998 > 23 24 F 0.25447105248597 0.55372168881466 0.67622278427722 18.998 > 24 *25 F 0.03253657789264 0.58992040198285 0.23233601326504 18.998 > 25 26 F 0.96746342210736 0.08992040198285 0.26766398673496 18.998 > 26 27 F 0.96746342210736 0.41007959801715 0.76766398673496 18.998 > 27 28 F 0.03253657789264 0.91007959801715 0.73233601326504 18.998 > 28 *29 Ho 0.18595066965275 0.23926875676088 0.76421242152616 164.930 > 29 30 Ho 0.81404933034725 0.73926875676088 0.73578757847384 164.930 > 30 31 Ho 0.81404933034725 0.76073124323912 0.23578757847384 164.930 > 31 32 Ho 0.18595066965275 0.26073124323912 0.26421242152616 164.930 > 32 *33 Pt 0.72828768378030 0.24229264953697 0.95754954468887 195.084 > 33 34 Pt 0.27171231621970 0.74229264953697 0.54245045531113 195.084 > 34 35 Pt 0.27171231621970 0.75770735046303 0.04245045531113 195.084 > 35 36 Pt 0.72828768378030 0.25770735046303 0.45754954468887 195.084 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.454924542384202 0.000000000000000 0.000000000000000 b 0.000000000000000 10.844996379999998 0.000000000000000 c -5.473690288023578 0.000000000000000 10.430767902148038 Atomic positions (fractional): *1 F 0.14771387484116 0.28130847481553 0.91329404956655 18.998 > 1 2 F 0.64771387484116 0.28130847481553 0.91329404956655 18.998 > 1 3 F 0.14771387484116 0.78130847481553 0.91329404956655 18.998 > 1 4 F 0.64771387484116 0.78130847481553 0.91329404956655 18.998 > 1 5 F 0.35228612515884 0.03130847481553 0.58670595043345 18.998 > 2 6 F 0.85228612515884 0.03130847481553 0.58670595043345 18.998 > 2 7 F 0.35228612515884 0.53130847481553 0.58670595043345 18.998 > 2 8 F 0.85228612515884 0.53130847481553 0.58670595043345 18.998 > 2 9 F 0.35228612515884 0.21869152518447 0.08670595043345 18.998 > 3 10 F 0.85228612515884 0.21869152518447 0.08670595043345 18.998 > 3 11 F 0.35228612515884 0.71869152518447 0.08670595043345 18.998 > 3 12 F 0.85228612515884 0.71869152518447 0.08670595043345 18.998 > 3 13 F 0.14771387484116 0.46869152518447 0.41329404956655 18.998 > 4 14 F 0.64771387484116 0.46869152518447 0.41329404956655 18.998 > 4 15 F 0.14771387484116 0.96869152518447 0.41329404956655 18.998 > 4 16 F 0.64771387484116 0.96869152518447 0.41329404956655 18.998 > 4 *17 F 0.36173621144591 0.28145560871293 0.54274875188519 18.998 > 5 18 F 0.86173621144591 0.28145560871293 0.54274875188519 18.998 > 5 19 F 0.36173621144591 0.78145560871293 0.54274875188519 18.998 > 5 20 F 0.86173621144591 0.78145560871293 0.54274875188519 18.998 > 5 21 F 0.13826378855409 0.03145560871293 0.95725124811481 18.998 > 6 22 F 0.63826378855409 0.03145560871293 0.95725124811481 18.998 > 6 23 F 0.13826378855409 0.53145560871293 0.95725124811481 18.998 > 6 24 F 0.63826378855409 0.53145560871293 0.95725124811481 18.998 > 6 25 F 0.13826378855409 0.21854439128707 0.45725124811481 18.998 > 7 26 F 0.63826378855409 0.21854439128707 0.45725124811481 18.998 > 7 27 F 0.13826378855409 0.71854439128707 0.45725124811481 18.998 > 7 28 F 0.63826378855409 0.71854439128707 0.45725124811481 18.998 > 7 29 F 0.36173621144591 0.46854439128707 0.04274875188519 18.998 > 8 30 F 0.86173621144591 0.46854439128707 0.04274875188519 18.998 > 8 31 F 0.36173621144591 0.96854439128707 0.04274875188519 18.998 > 8 32 F 0.86173621144591 0.96854439128707 0.04274875188519 18.998 > 8 *33 F 0.23890653741008 0.11313127712900 0.85900126448345 18.998 > 9 34 F 0.73890653741008 0.11313127712900 0.85900126448345 18.998 > 9 35 F 0.23890653741008 0.61313127712900 0.85900126448345 18.998 > 9 36 F 0.73890653741008 0.61313127712900 0.85900126448345 18.998 > 9 37 F 0.26109346258992 0.36313127712900 0.64099873551655 18.998 > 10 38 F 0.76109346258992 0.36313127712900 0.64099873551655 18.998 > 10 39 F 0.26109346258992 0.86313127712900 0.64099873551655 18.998 > 10 40 F 0.76109346258992 0.86313127712900 0.64099873551655 18.998 > 10 41 F 0.26109346258992 0.38686872287100 0.14099873551655 18.998 > 11 42 F 0.76109346258992 0.38686872287100 0.14099873551655 18.998 > 11 43 F 0.26109346258992 0.88686872287100 0.14099873551655 18.998 > 11 44 F 0.76109346258992 0.88686872287100 0.14099873551655 18.998 > 11 45 F 0.23890653741008 0.13686872287100 0.35900126448345 18.998 > 12 46 F 0.73890653741008 0.13686872287100 0.35900126448345 18.998 > 12 47 F 0.23890653741008 0.63686872287100 0.35900126448345 18.998 > 12 48 F 0.73890653741008 0.63686872287100 0.35900126448345 18.998 > 12 *49 F 0.48943201882415 0.12314228250603 0.05118579687549 18.998 > 13 50 F 0.98943201882415 0.12314228250603 0.05118579687549 18.998 > 13 51 F 0.48943201882415 0.62314228250603 0.05118579687549 18.998 > 13 52 F 0.98943201882415 0.62314228250603 0.05118579687549 18.998 > 13 53 F 0.01056798117585 0.37314228250603 0.44881420312451 18.998 > 14 54 F 0.51056798117585 0.37314228250603 0.44881420312451 18.998 > 14 55 F 0.01056798117585 0.87314228250603 0.44881420312451 18.998 > 14 56 F 0.51056798117585 0.87314228250603 0.44881420312451 18.998 > 14 57 F 0.01056798117585 0.37685771749397 0.94881420312452 18.998 > 15 58 F 0.51056798117585 0.37685771749397 0.94881420312452 18.998 > 15 59 F 0.01056798117585 0.87685771749397 0.94881420312452 18.998 > 15 60 F 0.51056798117585 0.87685771749397 0.94881420312452 18.998 > 15 61 F 0.48943201882415 0.12685771749397 0.55118579687548 18.998 > 16 62 F 0.98943201882415 0.12685771749397 0.55118579687548 18.998 > 16 63 F 0.48943201882415 0.62685771749397 0.55118579687548 18.998 > 16 64 F 0.98943201882415 0.62685771749397 0.55118579687548 18.998 > 16 *65 F 0.13782893844607 0.01962516009696 0.63564385874758 18.998 > 17 66 F 0.63782893844607 0.01962516009696 0.63564385874758 18.998 > 17 67 F 0.13782893844607 0.51962516009696 0.63564385874758 18.998 > 17 68 F 0.63782893844607 0.51962516009696 0.63564385874758 18.998 > 17 69 F 0.36217106155393 0.26962516009696 0.86435614125242 18.998 > 18 70 F 0.86217106155393 0.26962516009696 0.86435614125242 18.998 > 18 71 F 0.36217106155393 0.76962516009696 0.86435614125242 18.998 > 18 72 F 0.86217106155393 0.76962516009696 0.86435614125242 18.998 > 18 73 F 0.36217106155393 0.48037483990304 0.36435614125242 18.998 > 19 74 F 0.86217106155393 0.48037483990304 0.36435614125242 18.998 > 19 75 F 0.36217106155393 0.98037483990304 0.36435614125242 18.998 > 19 76 F 0.86217106155393 0.98037483990304 0.36435614125242 18.998 > 19 77 F 0.13782893844607 0.23037483990304 0.13564385874758 18.998 > 20 78 F 0.63782893844607 0.23037483990304 0.13564385874758 18.998 > 20 79 F 0.13782893844607 0.73037483990304 0.13564385874758 18.998 > 20 80 F 0.63782893844607 0.73037483990304 0.13564385874758 18.998 > 20 *81 F 0.12723552624299 0.47313915559267 0.17622278427722 18.998 > 21 82 F 0.62723552624299 0.47313915559267 0.17622278427722 18.998 > 21 83 F 0.12723552624299 0.97313915559267 0.17622278427722 18.998 > 21 84 F 0.62723552624299 0.97313915559267 0.17622278427722 18.998 > 21 85 F 0.37276447375701 0.22313915559267 0.32377721572278 18.998 > 22 86 F 0.87276447375701 0.22313915559267 0.32377721572278 18.998 > 22 87 F 0.37276447375701 0.72313915559267 0.32377721572278 18.998 > 22 88 F 0.87276447375701 0.72313915559267 0.32377721572278 18.998 > 22 89 F 0.37276447375701 0.02686084440733 0.82377721572278 18.998 > 23 90 F 0.87276447375701 0.02686084440733 0.82377721572278 18.998 > 23 91 F 0.37276447375701 0.52686084440733 0.82377721572278 18.998 > 23 92 F 0.87276447375701 0.52686084440733 0.82377721572278 18.998 > 23 93 F 0.12723552624299 0.27686084440733 0.67622278427722 18.998 > 24 94 F 0.62723552624299 0.27686084440733 0.67622278427722 18.998 > 24 95 F 0.12723552624299 0.77686084440733 0.67622278427722 18.998 > 24 96 F 0.62723552624299 0.77686084440733 0.67622278427722 18.998 > 24 *97 F 0.01626828894632 0.29496020099143 0.23233601326504 18.998 > 25 98 F 0.51626828894632 0.29496020099143 0.23233601326504 18.998 > 25 99 F 0.01626828894632 0.79496020099142 0.23233601326504 18.998 > 25 100 F 0.51626828894632 0.79496020099142 0.23233601326504 18.998 > 25 101 F 0.48373171105368 0.04496020099143 0.26766398673496 18.998 > 26 102 F 0.98373171105368 0.04496020099143 0.26766398673496 18.998 > 26 103 F 0.48373171105368 0.54496020099142 0.26766398673496 18.998 > 26 104 F 0.98373171105368 0.54496020099142 0.26766398673496 18.998 > 26 105 F 0.48373171105368 0.20503979900857 0.76766398673496 18.998 > 27 106 F 0.98373171105368 0.20503979900857 0.76766398673496 18.998 > 27 107 F 0.48373171105368 0.70503979900858 0.76766398673496 18.998 > 27 108 F 0.98373171105368 0.70503979900858 0.76766398673496 18.998 > 27 109 F 0.01626828894632 0.45503979900857 0.73233601326504 18.998 > 28 110 F 0.51626828894632 0.45503979900857 0.73233601326504 18.998 > 28 111 F 0.01626828894632 0.95503979900858 0.73233601326504 18.998 > 28 112 F 0.51626828894632 0.95503979900858 0.73233601326504 18.998 > 28 *113 Ho 0.09297533482638 0.11963437838044 0.76421242152616 164.930 > 29 114 Ho 0.59297533482638 0.11963437838044 0.76421242152616 164.930 > 29 115 Ho 0.09297533482638 0.61963437838044 0.76421242152616 164.930 > 29 116 Ho 0.59297533482638 0.61963437838044 0.76421242152616 164.930 > 29 117 Ho 0.40702466517362 0.36963437838044 0.73578757847384 164.930 > 30 118 Ho 0.90702466517362 0.36963437838044 0.73578757847384 164.930 > 30 119 Ho 0.40702466517362 0.86963437838044 0.73578757847384 164.930 > 30 120 Ho 0.90702466517362 0.86963437838044 0.73578757847384 164.930 > 30 121 Ho 0.40702466517362 0.38036562161956 0.23578757847384 164.930 > 31 122 Ho 0.90702466517362 0.38036562161956 0.23578757847384 164.930 > 31 123 Ho 0.40702466517362 0.88036562161956 0.23578757847384 164.930 > 31 124 Ho 0.90702466517362 0.88036562161956 0.23578757847384 164.930 > 31 125 Ho 0.09297533482638 0.13036562161956 0.26421242152616 164.930 > 32 126 Ho 0.59297533482638 0.13036562161956 0.26421242152616 164.930 > 32 127 Ho 0.09297533482638 0.63036562161956 0.26421242152616 164.930 > 32 128 Ho 0.59297533482638 0.63036562161956 0.26421242152616 164.930 > 32 *129 Pt 0.36414384189015 0.12114632476849 0.95754954468887 195.084 > 33 130 Pt 0.86414384189015 0.12114632476849 0.95754954468887 195.084 > 33 131 Pt 0.36414384189015 0.62114632476849 0.95754954468887 195.084 > 33 132 Pt 0.86414384189015 0.62114632476849 0.95754954468887 195.084 > 33 133 Pt 0.13585615810985 0.37114632476849 0.54245045531113 195.084 > 34 134 Pt 0.63585615810985 0.37114632476849 0.54245045531113 195.084 > 34 135 Pt 0.13585615810985 0.87114632476849 0.54245045531113 195.084 > 34 136 Pt 0.63585615810985 0.87114632476849 0.54245045531113 195.084 > 34 137 Pt 0.13585615810985 0.37885367523151 0.04245045531113 195.084 > 35 138 Pt 0.63585615810985 0.37885367523151 0.04245045531113 195.084 > 35 139 Pt 0.13585615810985 0.87885367523151 0.04245045531113 195.084 > 35 140 Pt 0.63585615810985 0.87885367523151 0.04245045531113 195.084 > 35 141 Pt 0.36414384189015 0.12885367523151 0.45754954468887 195.084 > 36 142 Pt 0.86414384189015 0.12885367523151 0.45754954468887 195.084 > 36 143 Pt 0.36414384189015 0.62885367523151 0.45754954468887 195.084 > 36 144 Pt 0.86414384189015 0.62885367523151 0.45754954468887 195.084 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8769287 0.0000000 0.0061832 0.0000000 2.8575795 0.0000000 0.0061830 0.0000000 2.8774877 -------------------------- Born effective charges -------------------------- 1 F -0.5464207 0.3842988 0.4345027 0.2501176 -1.1452691 -0.7563539 0.2995967 -0.8125500 -1.2438367 2 F -0.5464207 -0.3842988 0.4345027 -0.2501176 -1.1452691 0.7563539 0.2995967 0.8125500 -1.2438367 3 F -0.5464207 0.3842988 0.4345027 0.2501176 -1.1452691 -0.7563539 0.2995967 -0.8125500 -1.2438367 4 F -0.5464207 -0.3842988 0.4345027 -0.2501176 -1.1452691 0.7563539 0.2995967 0.8125500 -1.2438367 5 F -0.4552980 0.3397024 0.3083922 0.2960024 -1.3530795 -0.9602782 0.1990962 -0.7784866 -1.1907635 6 F -0.4552980 -0.3397024 0.3083922 -0.2960024 -1.3530795 0.9602782 0.1990962 0.7784866 -1.1907635 7 F -0.4552980 0.3397024 0.3083922 0.2960024 -1.3530795 -0.9602782 0.1990962 -0.7784866 -1.1907635 8 F -0.4552980 -0.3397024 0.3083922 -0.2960024 -1.3530795 0.9602782 0.1990962 0.7784866 -1.1907635 9 F -2.0654708 -0.0076251 -0.8986087 -0.0730754 -0.4124871 -0.0550186 -0.9640404 -0.0231349 -0.9600856 10 F -2.0654708 0.0076251 -0.8986087 0.0730754 -0.4124871 0.0550186 -0.9640404 0.0231349 -0.9600856 11 F -2.0654708 -0.0076251 -0.8986087 -0.0730754 -0.4124871 -0.0550186 -0.9640404 -0.0231349 -0.9600856 12 F -2.0654708 0.0076251 -0.8986087 0.0730754 -0.4124871 0.0550186 -0.9640404 0.0231349 -0.9600856 13 F -1.1896768 0.0184279 -0.8386389 -0.0494959 -0.3433323 -0.0521088 -0.6514141 -0.0109382 -1.2027202 14 F -1.1896768 -0.0184279 -0.8386389 0.0494959 -0.3433323 0.0521088 -0.6514141 0.0109382 -1.2027202 15 F -1.1896768 0.0184279 -0.8386389 -0.0494959 -0.3433323 -0.0521088 -0.6514141 -0.0109382 -1.2027202 16 F -1.1896768 -0.0184279 -0.8386389 0.0494959 -0.3433323 0.0521088 -0.6514141 0.0109382 -1.2027202 17 F -0.7673015 0.5069818 0.3708419 0.6442328 -1.3726892 -0.7938031 0.4547460 -0.6993878 -0.9505603 18 F -0.7673015 -0.5069818 0.3708419 -0.6442328 -1.3726892 0.7938031 0.4547460 0.6993878 -0.9505603 19 F -0.7673015 0.5069818 0.3708419 0.6442328 -1.3726892 -0.7938031 0.4547460 -0.6993878 -0.9505603 20 F -0.7673015 -0.5069818 0.3708419 -0.6442328 -1.3726892 0.7938031 0.4547460 0.6993878 -0.9505603 21 F -0.8840644 0.6647027 0.5539311 0.6351608 -1.2902742 -0.7328092 0.6518307 -0.8585412 -1.2010362 22 F -0.8840644 -0.6647027 0.5539311 -0.6351608 -1.2902742 0.7328092 0.6518307 0.8585412 -1.2010362 23 F -0.8840644 0.6647027 0.5539311 0.6351608 -1.2902742 -0.7328092 0.6518307 -0.8585412 -1.2010362 24 F -0.8840644 -0.6647027 0.5539311 -0.6351608 -1.2902742 0.7328092 0.6518307 0.8585412 -1.2010362 25 F -1.5149504 0.6987377 -0.0848434 0.7489974 -1.4327166 0.0459273 -0.0305587 0.0131575 -0.7736755 26 F -1.5149504 -0.6987377 -0.0848434 -0.7489974 -1.4327166 -0.0459273 -0.0305587 -0.0131575 -0.7736755 27 F -1.5149504 0.6987377 -0.0848434 0.7489974 -1.4327166 0.0459273 -0.0305587 0.0131575 -0.7736755 28 F -1.5149504 -0.6987377 -0.0848434 -0.7489974 -1.4327166 -0.0459273 -0.0305587 -0.0131575 -0.7736755 29 Ho 4.3605860 0.1734238 0.1644626 -0.0766704 4.3153065 -0.0374720 -0.0134888 -0.0433550 4.4713166 30 Ho 4.3605860 -0.1734238 0.1644626 0.0766704 4.3153065 0.0374720 -0.0134888 0.0433550 4.4713166 31 Ho 4.3605860 0.1734238 0.1644626 -0.0766704 4.3153065 -0.0374720 -0.0134888 -0.0433550 4.4713166 32 Ho 4.3605860 -0.1734238 0.1644626 0.0766704 4.3153065 0.0374720 -0.0134888 0.0433550 4.4713166 33 Pt 3.0625967 0.0173978 -0.0100395 -0.0577344 3.0345415 0.0855890 0.0542323 -0.0940328 3.0513614 34 Pt 3.0625967 -0.0173978 -0.0100395 0.0577344 3.0345415 -0.0855890 0.0542323 0.0940328 3.0513614 35 Pt 3.0625967 0.0173978 -0.0100395 -0.0577344 3.0345415 0.0855890 0.0542323 -0.0940328 3.0513614 36 Pt 3.0625967 -0.0173978 -0.0100395 0.0577344 3.0345415 -0.0855890 0.0542323 0.0940328 3.0513614 ---------------------------------------------------------------------------- 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: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.990 Solver_block: 200 / 1120 - Time: 1.781 Solver_block: 300 / 1120 - Time: 1.781 Solver_block: 400 / 1120 - Time: 1.781 Solver_block: 500 / 1120 - Time: 1.786 Solver_block: 600 / 1120 - Time: 1.782 Solver_block: 700 / 1120 - Time: 1.785 Solver_block: 800 / 1120 - Time: 1.784 Solver_block: 900 / 1120 - Time: 1.789 Solver_block: 1000 / 1120 - Time: 1.785 Solver_block: 1100 / 1120 - Time: 1.782 Solver_block: 1120 / 1120 - Time: 0.520 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.865 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:35:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:35:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.727462271192101 0.000000000000000 0.000000000000000 b 0.000000000000000 5.422498189999999 0.000000000000000 c -5.473690288023578 0.000000000000000 10.430767902148038 Atomic positions (fractional): 1 F 0.29542774968231 0.56261694963106 0.91329404956655 18.998 2 F 0.70457225031769 0.06261694963106 0.58670595043345 18.998 3 F 0.70457225031769 0.43738305036894 0.08670595043345 18.998 4 F 0.29542774968231 0.93738305036894 0.41329404956655 18.998 5 F 0.72347242289183 0.56291121742586 0.54274875188519 18.998 6 F 0.27652757710817 0.06291121742586 0.95725124811481 18.998 7 F 0.27652757710817 0.43708878257414 0.45725124811481 18.998 8 F 0.72347242289183 0.93708878257414 0.04274875188519 18.998 9 F 0.47781307482016 0.22626255425799 0.85900126448345 18.998 10 F 0.52218692517984 0.72626255425799 0.64099873551655 18.998 11 F 0.52218692517984 0.77373744574201 0.14099873551655 18.998 12 F 0.47781307482016 0.27373744574201 0.35900126448345 18.998 13 F 0.97886403764831 0.24628456501206 0.05118579687549 18.998 14 F 0.02113596235169 0.74628456501206 0.44881420312451 18.998 15 F 0.02113596235169 0.75371543498794 0.94881420312452 18.998 16 F 0.97886403764831 0.25371543498794 0.55118579687548 18.998 17 F 0.27565787689214 0.03925032019392 0.63564385874758 18.998 18 F 0.72434212310786 0.53925032019392 0.86435614125242 18.998 19 F 0.72434212310786 0.96074967980608 0.36435614125242 18.998 20 F 0.27565787689214 0.46074967980608 0.13564385874758 18.998 21 F 0.25447105248597 0.94627831118534 0.17622278427722 18.998 22 F 0.74552894751403 0.44627831118534 0.32377721572278 18.998 23 F 0.74552894751403 0.05372168881466 0.82377721572278 18.998 24 F 0.25447105248597 0.55372168881466 0.67622278427722 18.998 25 F 0.03253657789264 0.58992040198285 0.23233601326504 18.998 26 F 0.96746342210736 0.08992040198285 0.26766398673496 18.998 27 F 0.96746342210736 0.41007959801715 0.76766398673496 18.998 28 F 0.03253657789264 0.91007959801715 0.73233601326504 18.998 29 Ho 0.18595066965275 0.23926875676088 0.76421242152616 164.930 30 Ho 0.81404933034725 0.73926875676088 0.73578757847384 164.930 31 Ho 0.81404933034725 0.76073124323912 0.23578757847384 164.930 32 Ho 0.18595066965275 0.26073124323912 0.26421242152616 164.930 33 Pt 0.72828768378030 0.24229264953697 0.95754954468887 195.084 34 Pt 0.27171231621970 0.74229264953697 0.54245045531113 195.084 35 Pt 0.27171231621970 0.75770735046303 0.04245045531113 195.084 36 Pt 0.72828768378030 0.25770735046303 0.45754954468887 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.454924542384202 0.000000000000000 0.000000000000000 b 0.000000000000000 10.844996379999998 0.000000000000000 c -5.473690288023578 0.000000000000000 10.430767902148038 Atomic positions (fractional): 1 F 0.14771387484116 0.28130847481553 0.91329404956655 18.998 > 1 2 F 0.64771387484116 0.28130847481553 0.91329404956655 18.998 > 1 3 F 0.14771387484116 0.78130847481553 0.91329404956655 18.998 > 1 4 F 0.64771387484116 0.78130847481553 0.91329404956655 18.998 > 1 5 F 0.35228612515884 0.03130847481553 0.58670595043345 18.998 > 5 6 F 0.85228612515884 0.03130847481553 0.58670595043345 18.998 > 5 7 F 0.35228612515884 0.53130847481553 0.58670595043345 18.998 > 5 8 F 0.85228612515884 0.53130847481553 0.58670595043345 18.998 > 5 9 F 0.35228612515884 0.21869152518447 0.08670595043345 18.998 > 9 10 F 0.85228612515884 0.21869152518447 0.08670595043345 18.998 > 9 11 F 0.35228612515884 0.71869152518447 0.08670595043345 18.998 > 9 12 F 0.85228612515884 0.71869152518447 0.08670595043345 18.998 > 9 13 F 0.14771387484116 0.46869152518447 0.41329404956655 18.998 > 13 14 F 0.64771387484116 0.46869152518447 0.41329404956655 18.998 > 13 15 F 0.14771387484116 0.96869152518447 0.41329404956655 18.998 > 13 16 F 0.64771387484116 0.96869152518447 0.41329404956655 18.998 > 13 17 F 0.36173621144591 0.28145560871293 0.54274875188519 18.998 > 17 18 F 0.86173621144591 0.28145560871293 0.54274875188519 18.998 > 17 19 F 0.36173621144591 0.78145560871293 0.54274875188519 18.998 > 17 20 F 0.86173621144591 0.78145560871293 0.54274875188519 18.998 > 17 21 F 0.13826378855409 0.03145560871293 0.95725124811481 18.998 > 21 22 F 0.63826378855409 0.03145560871293 0.95725124811481 18.998 > 21 23 F 0.13826378855409 0.53145560871293 0.95725124811481 18.998 > 21 24 F 0.63826378855409 0.53145560871293 0.95725124811481 18.998 > 21 25 F 0.13826378855409 0.21854439128707 0.45725124811481 18.998 > 25 26 F 0.63826378855409 0.21854439128707 0.45725124811481 18.998 > 25 27 F 0.13826378855409 0.71854439128707 0.45725124811481 18.998 > 25 28 F 0.63826378855409 0.71854439128707 0.45725124811481 18.998 > 25 29 F 0.36173621144591 0.46854439128707 0.04274875188519 18.998 > 29 30 F 0.86173621144591 0.46854439128707 0.04274875188519 18.998 > 29 31 F 0.36173621144591 0.96854439128707 0.04274875188519 18.998 > 29 32 F 0.86173621144591 0.96854439128707 0.04274875188519 18.998 > 29 33 F 0.23890653741008 0.11313127712900 0.85900126448345 18.998 > 33 34 F 0.73890653741008 0.11313127712900 0.85900126448345 18.998 > 33 35 F 0.23890653741008 0.61313127712900 0.85900126448345 18.998 > 33 36 F 0.73890653741008 0.61313127712900 0.85900126448345 18.998 > 33 37 F 0.26109346258992 0.36313127712900 0.64099873551655 18.998 > 37 38 F 0.76109346258992 0.36313127712900 0.64099873551655 18.998 > 37 39 F 0.26109346258992 0.86313127712900 0.64099873551655 18.998 > 37 40 F 0.76109346258992 0.86313127712900 0.64099873551655 18.998 > 37 41 F 0.26109346258992 0.38686872287100 0.14099873551655 18.998 > 41 42 F 0.76109346258992 0.38686872287100 0.14099873551655 18.998 > 41 43 F 0.26109346258992 0.88686872287100 0.14099873551655 18.998 > 41 44 F 0.76109346258992 0.88686872287100 0.14099873551655 18.998 > 41 45 F 0.23890653741008 0.13686872287100 0.35900126448345 18.998 > 45 46 F 0.73890653741008 0.13686872287100 0.35900126448345 18.998 > 45 47 F 0.23890653741008 0.63686872287100 0.35900126448345 18.998 > 45 48 F 0.73890653741008 0.63686872287100 0.35900126448345 18.998 > 45 49 F 0.48943201882415 0.12314228250603 0.05118579687549 18.998 > 49 50 F 0.98943201882415 0.12314228250603 0.05118579687549 18.998 > 49 51 F 0.48943201882415 0.62314228250603 0.05118579687549 18.998 > 49 52 F 0.98943201882415 0.62314228250603 0.05118579687549 18.998 > 49 53 F 0.01056798117585 0.37314228250603 0.44881420312451 18.998 > 53 54 F 0.51056798117585 0.37314228250603 0.44881420312451 18.998 > 53 55 F 0.01056798117585 0.87314228250603 0.44881420312451 18.998 > 53 56 F 0.51056798117585 0.87314228250603 0.44881420312451 18.998 > 53 57 F 0.01056798117585 0.37685771749397 0.94881420312452 18.998 > 57 58 F 0.51056798117585 0.37685771749397 0.94881420312452 18.998 > 57 59 F 0.01056798117585 0.87685771749397 0.94881420312452 18.998 > 57 60 F 0.51056798117585 0.87685771749397 0.94881420312452 18.998 > 57 61 F 0.48943201882415 0.12685771749397 0.55118579687548 18.998 > 61 62 F 0.98943201882415 0.12685771749397 0.55118579687548 18.998 > 61 63 F 0.48943201882415 0.62685771749397 0.55118579687548 18.998 > 61 64 F 0.98943201882415 0.62685771749397 0.55118579687548 18.998 > 61 65 F 0.13782893844607 0.01962516009696 0.63564385874758 18.998 > 65 66 F 0.63782893844607 0.01962516009696 0.63564385874758 18.998 > 65 67 F 0.13782893844607 0.51962516009696 0.63564385874758 18.998 > 65 68 F 0.63782893844607 0.51962516009696 0.63564385874758 18.998 > 65 69 F 0.36217106155393 0.26962516009696 0.86435614125242 18.998 > 69 70 F 0.86217106155393 0.26962516009696 0.86435614125242 18.998 > 69 71 F 0.36217106155393 0.76962516009696 0.86435614125242 18.998 > 69 72 F 0.86217106155393 0.76962516009696 0.86435614125242 18.998 > 69 73 F 0.36217106155393 0.48037483990304 0.36435614125242 18.998 > 73 74 F 0.86217106155393 0.48037483990304 0.36435614125242 18.998 > 73 75 F 0.36217106155393 0.98037483990304 0.36435614125242 18.998 > 73 76 F 0.86217106155393 0.98037483990304 0.36435614125242 18.998 > 73 77 F 0.13782893844607 0.23037483990304 0.13564385874758 18.998 > 77 78 F 0.63782893844607 0.23037483990304 0.13564385874758 18.998 > 77 79 F 0.13782893844607 0.73037483990304 0.13564385874758 18.998 > 77 80 F 0.63782893844607 0.73037483990304 0.13564385874758 18.998 > 77 81 F 0.12723552624299 0.47313915559267 0.17622278427722 18.998 > 81 82 F 0.62723552624299 0.47313915559267 0.17622278427722 18.998 > 81 83 F 0.12723552624299 0.97313915559267 0.17622278427722 18.998 > 81 84 F 0.62723552624299 0.97313915559267 0.17622278427722 18.998 > 81 85 F 0.37276447375701 0.22313915559267 0.32377721572278 18.998 > 85 86 F 0.87276447375701 0.22313915559267 0.32377721572278 18.998 > 85 87 F 0.37276447375701 0.72313915559267 0.32377721572278 18.998 > 85 88 F 0.87276447375701 0.72313915559267 0.32377721572278 18.998 > 85 89 F 0.37276447375701 0.02686084440733 0.82377721572278 18.998 > 89 90 F 0.87276447375701 0.02686084440733 0.82377721572278 18.998 > 89 91 F 0.37276447375701 0.52686084440733 0.82377721572278 18.998 > 89 92 F 0.87276447375701 0.52686084440733 0.82377721572278 18.998 > 89 93 F 0.12723552624299 0.27686084440733 0.67622278427722 18.998 > 93 94 F 0.62723552624299 0.27686084440733 0.67622278427722 18.998 > 93 95 F 0.12723552624299 0.77686084440733 0.67622278427722 18.998 > 93 96 F 0.62723552624299 0.77686084440733 0.67622278427722 18.998 > 93 97 F 0.01626828894632 0.29496020099143 0.23233601326504 18.998 > 97 98 F 0.51626828894632 0.29496020099143 0.23233601326504 18.998 > 97 99 F 0.01626828894632 0.79496020099142 0.23233601326504 18.998 > 97 100 F 0.51626828894632 0.79496020099142 0.23233601326504 18.998 > 97 101 F 0.48373171105368 0.04496020099143 0.26766398673496 18.998 > 101 102 F 0.98373171105368 0.04496020099143 0.26766398673496 18.998 > 101 103 F 0.48373171105368 0.54496020099142 0.26766398673496 18.998 > 101 104 F 0.98373171105368 0.54496020099142 0.26766398673496 18.998 > 101 105 F 0.48373171105368 0.20503979900857 0.76766398673496 18.998 > 105 106 F 0.98373171105368 0.20503979900857 0.76766398673496 18.998 > 105 107 F 0.48373171105368 0.70503979900858 0.76766398673496 18.998 > 105 108 F 0.98373171105368 0.70503979900858 0.76766398673496 18.998 > 105 109 F 0.01626828894632 0.45503979900857 0.73233601326504 18.998 > 109 110 F 0.51626828894632 0.45503979900857 0.73233601326504 18.998 > 109 111 F 0.01626828894632 0.95503979900858 0.73233601326504 18.998 > 109 112 F 0.51626828894632 0.95503979900858 0.73233601326504 18.998 > 109 113 Ho 0.09297533482638 0.11963437838044 0.76421242152616 164.930 > 113 114 Ho 0.59297533482638 0.11963437838044 0.76421242152616 164.930 > 113 115 Ho 0.09297533482638 0.61963437838044 0.76421242152616 164.930 > 113 116 Ho 0.59297533482638 0.61963437838044 0.76421242152616 164.930 > 113 117 Ho 0.40702466517362 0.36963437838044 0.73578757847384 164.930 > 117 118 Ho 0.90702466517362 0.36963437838044 0.73578757847384 164.930 > 117 119 Ho 0.40702466517362 0.86963437838044 0.73578757847384 164.930 > 117 120 Ho 0.90702466517362 0.86963437838044 0.73578757847384 164.930 > 117 121 Ho 0.40702466517362 0.38036562161956 0.23578757847384 164.930 > 121 122 Ho 0.90702466517362 0.38036562161956 0.23578757847384 164.930 > 121 123 Ho 0.40702466517362 0.88036562161956 0.23578757847384 164.930 > 121 124 Ho 0.90702466517362 0.88036562161956 0.23578757847384 164.930 > 121 125 Ho 0.09297533482638 0.13036562161956 0.26421242152616 164.930 > 125 126 Ho 0.59297533482638 0.13036562161956 0.26421242152616 164.930 > 125 127 Ho 0.09297533482638 0.63036562161956 0.26421242152616 164.930 > 125 128 Ho 0.59297533482638 0.63036562161956 0.26421242152616 164.930 > 125 129 Pt 0.36414384189015 0.12114632476849 0.95754954468887 195.084 > 129 130 Pt 0.86414384189015 0.12114632476849 0.95754954468887 195.084 > 129 131 Pt 0.36414384189015 0.62114632476849 0.95754954468887 195.084 > 129 132 Pt 0.86414384189015 0.62114632476849 0.95754954468887 195.084 > 129 133 Pt 0.13585615810985 0.37114632476849 0.54245045531113 195.084 > 133 134 Pt 0.63585615810985 0.37114632476849 0.54245045531113 195.084 > 133 135 Pt 0.13585615810985 0.87114632476849 0.54245045531113 195.084 > 133 136 Pt 0.63585615810985 0.87114632476849 0.54245045531113 195.084 > 133 137 Pt 0.13585615810985 0.37885367523151 0.04245045531113 195.084 > 137 138 Pt 0.63585615810985 0.37885367523151 0.04245045531113 195.084 > 137 139 Pt 0.13585615810985 0.87885367523151 0.04245045531113 195.084 > 137 140 Pt 0.63585615810985 0.87885367523151 0.04245045531113 195.084 > 137 141 Pt 0.36414384189015 0.12885367523151 0.45754954468887 195.084 > 141 142 Pt 0.86414384189015 0.12885367523151 0.45754954468887 195.084 > 141 143 Pt 0.36414384189015 0.62885367523151 0.45754954468887 195.084 > 141 144 Pt 0.86414384189015 0.62885367523151 0.45754954468887 195.084 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8769287 0.0000000 0.0061832 0.0000000 2.8575795 0.0000000 0.0061830 0.0000000 2.8774877 -------------------------- Born effective charges -------------------------- 1 F -0.5464207 0.3842988 0.4345027 0.2501176 -1.1452691 -0.7563539 0.2995967 -0.8125500 -1.2438367 2 F -0.5464207 -0.3842988 0.4345027 -0.2501176 -1.1452691 0.7563539 0.2995967 0.8125500 -1.2438367 3 F -0.5464207 0.3842988 0.4345027 0.2501176 -1.1452691 -0.7563539 0.2995967 -0.8125500 -1.2438367 4 F -0.5464207 -0.3842988 0.4345027 -0.2501176 -1.1452691 0.7563539 0.2995967 0.8125500 -1.2438367 5 F -0.4552980 0.3397024 0.3083922 0.2960024 -1.3530795 -0.9602782 0.1990962 -0.7784866 -1.1907635 6 F -0.4552980 -0.3397024 0.3083922 -0.2960024 -1.3530795 0.9602782 0.1990962 0.7784866 -1.1907635 7 F -0.4552980 0.3397024 0.3083922 0.2960024 -1.3530795 -0.9602782 0.1990962 -0.7784866 -1.1907635 8 F -0.4552980 -0.3397024 0.3083922 -0.2960024 -1.3530795 0.9602782 0.1990962 0.7784866 -1.1907635 9 F -2.0654708 -0.0076251 -0.8986087 -0.0730754 -0.4124871 -0.0550186 -0.9640404 -0.0231349 -0.9600856 10 F -2.0654708 0.0076251 -0.8986087 0.0730754 -0.4124871 0.0550186 -0.9640404 0.0231349 -0.9600856 11 F -2.0654708 -0.0076251 -0.8986087 -0.0730754 -0.4124871 -0.0550186 -0.9640404 -0.0231349 -0.9600856 12 F -2.0654708 0.0076251 -0.8986087 0.0730754 -0.4124871 0.0550186 -0.9640404 0.0231349 -0.9600856 13 F -1.1896768 0.0184279 -0.8386389 -0.0494959 -0.3433323 -0.0521088 -0.6514141 -0.0109382 -1.2027202 14 F -1.1896768 -0.0184279 -0.8386389 0.0494959 -0.3433323 0.0521088 -0.6514141 0.0109382 -1.2027202 15 F -1.1896768 0.0184279 -0.8386389 -0.0494959 -0.3433323 -0.0521088 -0.6514141 -0.0109382 -1.2027202 16 F -1.1896768 -0.0184279 -0.8386389 0.0494959 -0.3433323 0.0521088 -0.6514141 0.0109382 -1.2027202 17 F -0.7673015 0.5069818 0.3708419 0.6442328 -1.3726892 -0.7938031 0.4547460 -0.6993878 -0.9505603 18 F -0.7673015 -0.5069818 0.3708419 -0.6442328 -1.3726892 0.7938031 0.4547460 0.6993878 -0.9505603 19 F -0.7673015 0.5069818 0.3708419 0.6442328 -1.3726892 -0.7938031 0.4547460 -0.6993878 -0.9505603 20 F -0.7673015 -0.5069818 0.3708419 -0.6442328 -1.3726892 0.7938031 0.4547460 0.6993878 -0.9505603 21 F -0.8840644 0.6647027 0.5539311 0.6351608 -1.2902742 -0.7328092 0.6518307 -0.8585412 -1.2010362 22 F -0.8840644 -0.6647027 0.5539311 -0.6351608 -1.2902742 0.7328092 0.6518307 0.8585412 -1.2010362 23 F -0.8840644 0.6647027 0.5539311 0.6351608 -1.2902742 -0.7328092 0.6518307 -0.8585412 -1.2010362 24 F -0.8840644 -0.6647027 0.5539311 -0.6351608 -1.2902742 0.7328092 0.6518307 0.8585412 -1.2010362 25 F -1.5149504 0.6987377 -0.0848434 0.7489974 -1.4327166 0.0459273 -0.0305587 0.0131575 -0.7736755 26 F -1.5149504 -0.6987377 -0.0848434 -0.7489974 -1.4327166 -0.0459273 -0.0305587 -0.0131575 -0.7736755 27 F -1.5149504 0.6987377 -0.0848434 0.7489974 -1.4327166 0.0459273 -0.0305587 0.0131575 -0.7736755 28 F -1.5149504 -0.6987377 -0.0848434 -0.7489974 -1.4327166 -0.0459273 -0.0305587 -0.0131575 -0.7736755 29 Ho 4.3605860 0.1734238 0.1644626 -0.0766704 4.3153065 -0.0374720 -0.0134888 -0.0433550 4.4713166 30 Ho 4.3605860 -0.1734238 0.1644626 0.0766704 4.3153065 0.0374720 -0.0134888 0.0433550 4.4713166 31 Ho 4.3605860 0.1734238 0.1644626 -0.0766704 4.3153065 -0.0374720 -0.0134888 -0.0433550 4.4713166 32 Ho 4.3605860 -0.1734238 0.1644626 0.0766704 4.3153065 0.0374720 -0.0134888 0.0433550 4.4713166 33 Pt 3.0625967 0.0173978 -0.0100395 -0.0577344 3.0345415 0.0855890 0.0542323 -0.0940328 3.0513614 34 Pt 3.0625967 -0.0173978 -0.0100395 0.0577344 3.0345415 -0.0855890 0.0542323 0.0940328 3.0513614 35 Pt 3.0625967 0.0173978 -0.0100395 -0.0577344 3.0345415 0.0855890 0.0542323 -0.0940328 3.0513614 36 Pt 3.0625967 -0.0173978 -0.0100395 0.0577344 3.0345415 -0.0855890 0.0542323 0.0940328 3.0513614 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:36:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:36:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.727462271192101 0.000000000000000 0.000000000000000 b 0.000000000000000 5.422498189999999 0.000000000000000 c -5.473690288023578 0.000000000000000 10.430767902148038 Atomic positions (fractional): 1 F 0.29542774968231 0.56261694963106 0.91329404956655 18.998 2 F 0.70457225031769 0.06261694963106 0.58670595043345 18.998 3 F 0.70457225031769 0.43738305036894 0.08670595043345 18.998 4 F 0.29542774968231 0.93738305036894 0.41329404956655 18.998 5 F 0.72347242289183 0.56291121742586 0.54274875188519 18.998 6 F 0.27652757710817 0.06291121742586 0.95725124811481 18.998 7 F 0.27652757710817 0.43708878257414 0.45725124811481 18.998 8 F 0.72347242289183 0.93708878257414 0.04274875188519 18.998 9 F 0.47781307482016 0.22626255425799 0.85900126448345 18.998 10 F 0.52218692517984 0.72626255425799 0.64099873551655 18.998 11 F 0.52218692517984 0.77373744574201 0.14099873551655 18.998 12 F 0.47781307482016 0.27373744574201 0.35900126448345 18.998 13 F 0.97886403764831 0.24628456501206 0.05118579687549 18.998 14 F 0.02113596235169 0.74628456501206 0.44881420312451 18.998 15 F 0.02113596235169 0.75371543498794 0.94881420312452 18.998 16 F 0.97886403764831 0.25371543498794 0.55118579687548 18.998 17 F 0.27565787689214 0.03925032019392 0.63564385874758 18.998 18 F 0.72434212310786 0.53925032019392 0.86435614125242 18.998 19 F 0.72434212310786 0.96074967980608 0.36435614125242 18.998 20 F 0.27565787689214 0.46074967980608 0.13564385874758 18.998 21 F 0.25447105248597 0.94627831118534 0.17622278427722 18.998 22 F 0.74552894751403 0.44627831118534 0.32377721572278 18.998 23 F 0.74552894751403 0.05372168881466 0.82377721572278 18.998 24 F 0.25447105248597 0.55372168881466 0.67622278427722 18.998 25 F 0.03253657789264 0.58992040198285 0.23233601326504 18.998 26 F 0.96746342210736 0.08992040198285 0.26766398673496 18.998 27 F 0.96746342210736 0.41007959801715 0.76766398673496 18.998 28 F 0.03253657789264 0.91007959801715 0.73233601326504 18.998 29 Ho 0.18595066965275 0.23926875676088 0.76421242152616 164.930 30 Ho 0.81404933034725 0.73926875676088 0.73578757847384 164.930 31 Ho 0.81404933034725 0.76073124323912 0.23578757847384 164.930 32 Ho 0.18595066965275 0.26073124323912 0.26421242152616 164.930 33 Pt 0.72828768378030 0.24229264953697 0.95754954468887 195.084 34 Pt 0.27171231621970 0.74229264953697 0.54245045531113 195.084 35 Pt 0.27171231621970 0.75770735046303 0.04245045531113 195.084 36 Pt 0.72828768378030 0.25770735046303 0.45754954468887 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.454924542384202 0.000000000000000 0.000000000000000 b 0.000000000000000 10.844996379999998 0.000000000000000 c -5.473690288023578 0.000000000000000 10.430767902148038 Atomic positions (fractional): 1 F 0.14771387484116 0.28130847481553 0.91329404956655 18.998 > 1 2 F 0.64771387484116 0.28130847481553 0.91329404956655 18.998 > 1 3 F 0.14771387484116 0.78130847481553 0.91329404956655 18.998 > 1 4 F 0.64771387484116 0.78130847481553 0.91329404956655 18.998 > 1 5 F 0.35228612515884 0.03130847481553 0.58670595043345 18.998 > 5 6 F 0.85228612515884 0.03130847481553 0.58670595043345 18.998 > 5 7 F 0.35228612515884 0.53130847481553 0.58670595043345 18.998 > 5 8 F 0.85228612515884 0.53130847481553 0.58670595043345 18.998 > 5 9 F 0.35228612515884 0.21869152518447 0.08670595043345 18.998 > 9 10 F 0.85228612515884 0.21869152518447 0.08670595043345 18.998 > 9 11 F 0.35228612515884 0.71869152518447 0.08670595043345 18.998 > 9 12 F 0.85228612515884 0.71869152518447 0.08670595043345 18.998 > 9 13 F 0.14771387484116 0.46869152518447 0.41329404956655 18.998 > 13 14 F 0.64771387484116 0.46869152518447 0.41329404956655 18.998 > 13 15 F 0.14771387484116 0.96869152518447 0.41329404956655 18.998 > 13 16 F 0.64771387484116 0.96869152518447 0.41329404956655 18.998 > 13 17 F 0.36173621144591 0.28145560871293 0.54274875188519 18.998 > 17 18 F 0.86173621144591 0.28145560871293 0.54274875188519 18.998 > 17 19 F 0.36173621144591 0.78145560871293 0.54274875188519 18.998 > 17 20 F 0.86173621144591 0.78145560871293 0.54274875188519 18.998 > 17 21 F 0.13826378855409 0.03145560871293 0.95725124811481 18.998 > 21 22 F 0.63826378855409 0.03145560871293 0.95725124811481 18.998 > 21 23 F 0.13826378855409 0.53145560871293 0.95725124811481 18.998 > 21 24 F 0.63826378855409 0.53145560871293 0.95725124811481 18.998 > 21 25 F 0.13826378855409 0.21854439128707 0.45725124811481 18.998 > 25 26 F 0.63826378855409 0.21854439128707 0.45725124811481 18.998 > 25 27 F 0.13826378855409 0.71854439128707 0.45725124811481 18.998 > 25 28 F 0.63826378855409 0.71854439128707 0.45725124811481 18.998 > 25 29 F 0.36173621144591 0.46854439128707 0.04274875188519 18.998 > 29 30 F 0.86173621144591 0.46854439128707 0.04274875188519 18.998 > 29 31 F 0.36173621144591 0.96854439128707 0.04274875188519 18.998 > 29 32 F 0.86173621144591 0.96854439128707 0.04274875188519 18.998 > 29 33 F 0.23890653741008 0.11313127712900 0.85900126448345 18.998 > 33 34 F 0.73890653741008 0.11313127712900 0.85900126448345 18.998 > 33 35 F 0.23890653741008 0.61313127712900 0.85900126448345 18.998 > 33 36 F 0.73890653741008 0.61313127712900 0.85900126448345 18.998 > 33 37 F 0.26109346258992 0.36313127712900 0.64099873551655 18.998 > 37 38 F 0.76109346258992 0.36313127712900 0.64099873551655 18.998 > 37 39 F 0.26109346258992 0.86313127712900 0.64099873551655 18.998 > 37 40 F 0.76109346258992 0.86313127712900 0.64099873551655 18.998 > 37 41 F 0.26109346258992 0.38686872287100 0.14099873551655 18.998 > 41 42 F 0.76109346258992 0.38686872287100 0.14099873551655 18.998 > 41 43 F 0.26109346258992 0.88686872287100 0.14099873551655 18.998 > 41 44 F 0.76109346258992 0.88686872287100 0.14099873551655 18.998 > 41 45 F 0.23890653741008 0.13686872287100 0.35900126448345 18.998 > 45 46 F 0.73890653741008 0.13686872287100 0.35900126448345 18.998 > 45 47 F 0.23890653741008 0.63686872287100 0.35900126448345 18.998 > 45 48 F 0.73890653741008 0.63686872287100 0.35900126448345 18.998 > 45 49 F 0.48943201882415 0.12314228250603 0.05118579687549 18.998 > 49 50 F 0.98943201882415 0.12314228250603 0.05118579687549 18.998 > 49 51 F 0.48943201882415 0.62314228250603 0.05118579687549 18.998 > 49 52 F 0.98943201882415 0.62314228250603 0.05118579687549 18.998 > 49 53 F 0.01056798117585 0.37314228250603 0.44881420312451 18.998 > 53 54 F 0.51056798117585 0.37314228250603 0.44881420312451 18.998 > 53 55 F 0.01056798117585 0.87314228250603 0.44881420312451 18.998 > 53 56 F 0.51056798117585 0.87314228250603 0.44881420312451 18.998 > 53 57 F 0.01056798117585 0.37685771749397 0.94881420312452 18.998 > 57 58 F 0.51056798117585 0.37685771749397 0.94881420312452 18.998 > 57 59 F 0.01056798117585 0.87685771749397 0.94881420312452 18.998 > 57 60 F 0.51056798117585 0.87685771749397 0.94881420312452 18.998 > 57 61 F 0.48943201882415 0.12685771749397 0.55118579687548 18.998 > 61 62 F 0.98943201882415 0.12685771749397 0.55118579687548 18.998 > 61 63 F 0.48943201882415 0.62685771749397 0.55118579687548 18.998 > 61 64 F 0.98943201882415 0.62685771749397 0.55118579687548 18.998 > 61 65 F 0.13782893844607 0.01962516009696 0.63564385874758 18.998 > 65 66 F 0.63782893844607 0.01962516009696 0.63564385874758 18.998 > 65 67 F 0.13782893844607 0.51962516009696 0.63564385874758 18.998 > 65 68 F 0.63782893844607 0.51962516009696 0.63564385874758 18.998 > 65 69 F 0.36217106155393 0.26962516009696 0.86435614125242 18.998 > 69 70 F 0.86217106155393 0.26962516009696 0.86435614125242 18.998 > 69 71 F 0.36217106155393 0.76962516009696 0.86435614125242 18.998 > 69 72 F 0.86217106155393 0.76962516009696 0.86435614125242 18.998 > 69 73 F 0.36217106155393 0.48037483990304 0.36435614125242 18.998 > 73 74 F 0.86217106155393 0.48037483990304 0.36435614125242 18.998 > 73 75 F 0.36217106155393 0.98037483990304 0.36435614125242 18.998 > 73 76 F 0.86217106155393 0.98037483990304 0.36435614125242 18.998 > 73 77 F 0.13782893844607 0.23037483990304 0.13564385874758 18.998 > 77 78 F 0.63782893844607 0.23037483990304 0.13564385874758 18.998 > 77 79 F 0.13782893844607 0.73037483990304 0.13564385874758 18.998 > 77 80 F 0.63782893844607 0.73037483990304 0.13564385874758 18.998 > 77 81 F 0.12723552624299 0.47313915559267 0.17622278427722 18.998 > 81 82 F 0.62723552624299 0.47313915559267 0.17622278427722 18.998 > 81 83 F 0.12723552624299 0.97313915559267 0.17622278427722 18.998 > 81 84 F 0.62723552624299 0.97313915559267 0.17622278427722 18.998 > 81 85 F 0.37276447375701 0.22313915559267 0.32377721572278 18.998 > 85 86 F 0.87276447375701 0.22313915559267 0.32377721572278 18.998 > 85 87 F 0.37276447375701 0.72313915559267 0.32377721572278 18.998 > 85 88 F 0.87276447375701 0.72313915559267 0.32377721572278 18.998 > 85 89 F 0.37276447375701 0.02686084440733 0.82377721572278 18.998 > 89 90 F 0.87276447375701 0.02686084440733 0.82377721572278 18.998 > 89 91 F 0.37276447375701 0.52686084440733 0.82377721572278 18.998 > 89 92 F 0.87276447375701 0.52686084440733 0.82377721572278 18.998 > 89 93 F 0.12723552624299 0.27686084440733 0.67622278427722 18.998 > 93 94 F 0.62723552624299 0.27686084440733 0.67622278427722 18.998 > 93 95 F 0.12723552624299 0.77686084440733 0.67622278427722 18.998 > 93 96 F 0.62723552624299 0.77686084440733 0.67622278427722 18.998 > 93 97 F 0.01626828894632 0.29496020099143 0.23233601326504 18.998 > 97 98 F 0.51626828894632 0.29496020099143 0.23233601326504 18.998 > 97 99 F 0.01626828894632 0.79496020099142 0.23233601326504 18.998 > 97 100 F 0.51626828894632 0.79496020099142 0.23233601326504 18.998 > 97 101 F 0.48373171105368 0.04496020099143 0.26766398673496 18.998 > 101 102 F 0.98373171105368 0.04496020099143 0.26766398673496 18.998 > 101 103 F 0.48373171105368 0.54496020099142 0.26766398673496 18.998 > 101 104 F 0.98373171105368 0.54496020099142 0.26766398673496 18.998 > 101 105 F 0.48373171105368 0.20503979900857 0.76766398673496 18.998 > 105 106 F 0.98373171105368 0.20503979900857 0.76766398673496 18.998 > 105 107 F 0.48373171105368 0.70503979900858 0.76766398673496 18.998 > 105 108 F 0.98373171105368 0.70503979900858 0.76766398673496 18.998 > 105 109 F 0.01626828894632 0.45503979900857 0.73233601326504 18.998 > 109 110 F 0.51626828894632 0.45503979900857 0.73233601326504 18.998 > 109 111 F 0.01626828894632 0.95503979900858 0.73233601326504 18.998 > 109 112 F 0.51626828894632 0.95503979900858 0.73233601326504 18.998 > 109 113 Ho 0.09297533482638 0.11963437838044 0.76421242152616 164.930 > 113 114 Ho 0.59297533482638 0.11963437838044 0.76421242152616 164.930 > 113 115 Ho 0.09297533482638 0.61963437838044 0.76421242152616 164.930 > 113 116 Ho 0.59297533482638 0.61963437838044 0.76421242152616 164.930 > 113 117 Ho 0.40702466517362 0.36963437838044 0.73578757847384 164.930 > 117 118 Ho 0.90702466517362 0.36963437838044 0.73578757847384 164.930 > 117 119 Ho 0.40702466517362 0.86963437838044 0.73578757847384 164.930 > 117 120 Ho 0.90702466517362 0.86963437838044 0.73578757847384 164.930 > 117 121 Ho 0.40702466517362 0.38036562161956 0.23578757847384 164.930 > 121 122 Ho 0.90702466517362 0.38036562161956 0.23578757847384 164.930 > 121 123 Ho 0.40702466517362 0.88036562161956 0.23578757847384 164.930 > 121 124 Ho 0.90702466517362 0.88036562161956 0.23578757847384 164.930 > 121 125 Ho 0.09297533482638 0.13036562161956 0.26421242152616 164.930 > 125 126 Ho 0.59297533482638 0.13036562161956 0.26421242152616 164.930 > 125 127 Ho 0.09297533482638 0.63036562161956 0.26421242152616 164.930 > 125 128 Ho 0.59297533482638 0.63036562161956 0.26421242152616 164.930 > 125 129 Pt 0.36414384189015 0.12114632476849 0.95754954468887 195.084 > 129 130 Pt 0.86414384189015 0.12114632476849 0.95754954468887 195.084 > 129 131 Pt 0.36414384189015 0.62114632476849 0.95754954468887 195.084 > 129 132 Pt 0.86414384189015 0.62114632476849 0.95754954468887 195.084 > 129 133 Pt 0.13585615810985 0.37114632476849 0.54245045531113 195.084 > 133 134 Pt 0.63585615810985 0.37114632476849 0.54245045531113 195.084 > 133 135 Pt 0.13585615810985 0.87114632476849 0.54245045531113 195.084 > 133 136 Pt 0.63585615810985 0.87114632476849 0.54245045531113 195.084 > 133 137 Pt 0.13585615810985 0.37885367523151 0.04245045531113 195.084 > 137 138 Pt 0.63585615810985 0.37885367523151 0.04245045531113 195.084 > 137 139 Pt 0.13585615810985 0.87885367523151 0.04245045531113 195.084 > 137 140 Pt 0.63585615810985 0.87885367523151 0.04245045531113 195.084 > 137 141 Pt 0.36414384189015 0.12885367523151 0.45754954468887 195.084 > 141 142 Pt 0.86414384189015 0.12885367523151 0.45754954468887 195.084 > 141 143 Pt 0.36414384189015 0.62885367523151 0.45754954468887 195.084 > 141 144 Pt 0.86414384189015 0.62885367523151 0.45754954468887 195.084 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8769287 0.0000000 0.0061832 0.0000000 2.8575795 0.0000000 0.0061830 0.0000000 2.8774877 -------------------------- Born effective charges -------------------------- 1 F -0.5464207 0.3842988 0.4345027 0.2501176 -1.1452691 -0.7563539 0.2995967 -0.8125500 -1.2438367 2 F -0.5464207 -0.3842988 0.4345027 -0.2501176 -1.1452691 0.7563539 0.2995967 0.8125500 -1.2438367 3 F -0.5464207 0.3842988 0.4345027 0.2501176 -1.1452691 -0.7563539 0.2995967 -0.8125500 -1.2438367 4 F -0.5464207 -0.3842988 0.4345027 -0.2501176 -1.1452691 0.7563539 0.2995967 0.8125500 -1.2438367 5 F -0.4552980 0.3397024 0.3083922 0.2960024 -1.3530795 -0.9602782 0.1990962 -0.7784866 -1.1907635 6 F -0.4552980 -0.3397024 0.3083922 -0.2960024 -1.3530795 0.9602782 0.1990962 0.7784866 -1.1907635 7 F -0.4552980 0.3397024 0.3083922 0.2960024 -1.3530795 -0.9602782 0.1990962 -0.7784866 -1.1907635 8 F -0.4552980 -0.3397024 0.3083922 -0.2960024 -1.3530795 0.9602782 0.1990962 0.7784866 -1.1907635 9 F -2.0654708 -0.0076251 -0.8986087 -0.0730754 -0.4124871 -0.0550186 -0.9640404 -0.0231349 -0.9600856 10 F -2.0654708 0.0076251 -0.8986087 0.0730754 -0.4124871 0.0550186 -0.9640404 0.0231349 -0.9600856 11 F -2.0654708 -0.0076251 -0.8986087 -0.0730754 -0.4124871 -0.0550186 -0.9640404 -0.0231349 -0.9600856 12 F -2.0654708 0.0076251 -0.8986087 0.0730754 -0.4124871 0.0550186 -0.9640404 0.0231349 -0.9600856 13 F -1.1896768 0.0184279 -0.8386389 -0.0494959 -0.3433323 -0.0521088 -0.6514141 -0.0109382 -1.2027202 14 F -1.1896768 -0.0184279 -0.8386389 0.0494959 -0.3433323 0.0521088 -0.6514141 0.0109382 -1.2027202 15 F -1.1896768 0.0184279 -0.8386389 -0.0494959 -0.3433323 -0.0521088 -0.6514141 -0.0109382 -1.2027202 16 F -1.1896768 -0.0184279 -0.8386389 0.0494959 -0.3433323 0.0521088 -0.6514141 0.0109382 -1.2027202 17 F -0.7673015 0.5069818 0.3708419 0.6442328 -1.3726892 -0.7938031 0.4547460 -0.6993878 -0.9505603 18 F -0.7673015 -0.5069818 0.3708419 -0.6442328 -1.3726892 0.7938031 0.4547460 0.6993878 -0.9505603 19 F -0.7673015 0.5069818 0.3708419 0.6442328 -1.3726892 -0.7938031 0.4547460 -0.6993878 -0.9505603 20 F -0.7673015 -0.5069818 0.3708419 -0.6442328 -1.3726892 0.7938031 0.4547460 0.6993878 -0.9505603 21 F -0.8840644 0.6647027 0.5539311 0.6351608 -1.2902742 -0.7328092 0.6518307 -0.8585412 -1.2010362 22 F -0.8840644 -0.6647027 0.5539311 -0.6351608 -1.2902742 0.7328092 0.6518307 0.8585412 -1.2010362 23 F -0.8840644 0.6647027 0.5539311 0.6351608 -1.2902742 -0.7328092 0.6518307 -0.8585412 -1.2010362 24 F -0.8840644 -0.6647027 0.5539311 -0.6351608 -1.2902742 0.7328092 0.6518307 0.8585412 -1.2010362 25 F -1.5149504 0.6987377 -0.0848434 0.7489974 -1.4327166 0.0459273 -0.0305587 0.0131575 -0.7736755 26 F -1.5149504 -0.6987377 -0.0848434 -0.7489974 -1.4327166 -0.0459273 -0.0305587 -0.0131575 -0.7736755 27 F -1.5149504 0.6987377 -0.0848434 0.7489974 -1.4327166 0.0459273 -0.0305587 0.0131575 -0.7736755 28 F -1.5149504 -0.6987377 -0.0848434 -0.7489974 -1.4327166 -0.0459273 -0.0305587 -0.0131575 -0.7736755 29 Ho 4.3605860 0.1734238 0.1644626 -0.0766704 4.3153065 -0.0374720 -0.0134888 -0.0433550 4.4713166 30 Ho 4.3605860 -0.1734238 0.1644626 0.0766704 4.3153065 0.0374720 -0.0134888 0.0433550 4.4713166 31 Ho 4.3605860 0.1734238 0.1644626 -0.0766704 4.3153065 -0.0374720 -0.0134888 -0.0433550 4.4713166 32 Ho 4.3605860 -0.1734238 0.1644626 0.0766704 4.3153065 0.0374720 -0.0134888 0.0433550 4.4713166 33 Pt 3.0625967 0.0173978 -0.0100395 -0.0577344 3.0345415 0.0855890 0.0542323 -0.0940328 3.0513614 34 Pt 3.0625967 -0.0173978 -0.0100395 0.0577344 3.0345415 -0.0855890 0.0542323 0.0940328 3.0513614 35 Pt 3.0625967 0.0173978 -0.0100395 -0.0577344 3.0345415 0.0855890 0.0542323 -0.0940328 3.0513614 36 Pt 3.0625967 -0.0173978 -0.0100395 0.0577344 3.0345415 -0.0855890 0.0542323 0.0940328 3.0513614 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 6 9 5 ] 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: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 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 1.874 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.127 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 6.899 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.768 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.317 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 8.676 ( 0.000 0.000 0.000) 0.000 8.698 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 9.039 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 9.350 ( 0.000 0.000 0.000) 0.000 12.575 ( 0.000 0.000 0.000) 0.000 12.586 ( 0.000 0.000 0.000) 0.000 14.092 ( 0.000 0.000 0.000) 0.000 14.505 ( 0.000 0.000 0.000) 0.000 16.849 ( 0.000 0.000 0.000) 0.000 16.968 ( 0.000 0.000 0.000) 0.000 16.970 ( 0.000 0.000 0.000) 0.000 16.973 ( 0.000 0.000 0.000) 0.000 17.294 ( 0.000 0.000 0.000) 0.000 17.316 ( 0.000 0.000 0.000) 0.000 17.442 ( 0.000 0.000 0.000) 0.000 17.454 ( 0.000 0.000 0.000) 0.000 17.519 ( 0.000 0.000 0.000) 0.000 17.640 ( 0.000 0.000 0.000) 0.000 17.860 ( 0.000 0.000 0.000) 0.000 18.072 ( 0.000 0.000 0.000) 0.000 18.114 ( 0.000 0.000 0.000) 0.000 18.118 ( 0.000 0.000 0.000) 0.000 18.144 ( 0.000 0.000 0.000) 0.000 18.206 ( 0.000 0.000 0.000) 0.000 18.301 ( 0.000 0.000 0.000) 0.000 18.722 ( 0.000 0.000 0.000) 0.000 18.802 ( 0.000 0.000 0.000) 0.000 19.081 ( 0.000 0.000 0.000) 0.000 19.359 ( 0.000 0.000 0.000) 0.000 19.507 ( 0.000 0.000 0.000) 0.000 19.896 ( 0.000 0.000 0.000) 0.000 20.072 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 20.429 0.000 1.231) 20.466 0.420 ( 19.631 0.000 3.480) 19.937 0.964 ( 38.321 0.000 21.770) 44.073 1.842 ( -3.004 0.000 -17.782) 18.034 1.914 ( -0.143 0.000 -3.872) 3.875 2.036 ( -10.323 0.000 -4.211) 11.149 2.141 ( 2.307 0.000 0.968) 2.502 2.272 ( 5.838 0.000 -2.367) 6.300 2.273 ( -5.650 0.000 1.509) 5.848 2.376 ( 0.138 0.000 1.498) 1.504 2.394 ( -1.431 0.000 -1.504) 2.076 2.557 ( 0.268 0.000 0.597) 0.655 2.755 ( -6.912 0.000 -0.024) 6.912 2.767 ( 0.475 0.000 -0.333) 0.581 2.897 ( 9.976 0.000 5.436) 11.361 3.105 ( -3.402 0.000 -2.876) 4.454 3.201 ( 1.390 0.000 -5.395) 5.571 3.268 ( -3.084 0.000 5.126) 5.982 3.462 ( -1.868 0.000 0.211) 1.880 3.492 ( 3.376 0.000 7.160) 7.916 3.528 ( -3.531 0.000 -0.558) 3.575 3.562 ( 2.009 0.000 -3.663) 4.177 3.703 ( 3.459 0.000 -1.123) 3.637 3.857 ( -2.029 0.000 0.209) 2.040 3.965 ( 3.809 0.000 -1.932) 4.271 4.143 ( 0.093 0.000 -3.966) 3.967 4.192 ( -3.404 0.000 -2.917) 4.483 4.223 ( 2.305 0.000 5.766) 6.209 4.296 ( 0.052 0.000 5.771) 5.772 4.306 ( 0.604 0.000 -1.799) 1.898 4.452 ( -2.023 0.000 -2.080) 2.901 4.494 ( -2.594 0.000 1.833) 3.176 4.629 ( 1.063 0.000 -1.008) 1.465 4.655 ( -1.014 0.000 -5.447) 5.540 4.731 ( -2.256 0.000 -4.943) 5.434 4.859 ( 4.215 0.000 -9.667) 10.546 4.926 ( -3.420 0.000 3.296) 4.750 5.031 ( 0.257 0.000 10.311) 10.315 5.416 ( -0.839 0.000 -3.243) 3.350 5.622 ( -2.967 0.000 -4.644) 5.511 5.717 ( -5.701 0.000 2.425) 6.196 5.876 ( -7.687 0.000 -4.899) 9.116 6.011 ( 0.456 0.000 9.257) 9.268 6.050 ( 0.352 0.000 0.706) 0.789 6.129 ( -11.215 0.000 10.372) 15.276 6.251 ( 1.613 0.000 5.006) 5.259 6.390 ( -8.285 0.000 -0.882) 8.331 6.398 ( 2.308 0.000 -7.999) 8.325 6.461 ( 2.620 0.000 6.985) 7.461 6.528 ( -0.627 0.000 4.838) 4.878 6.613 ( -0.882 0.000 7.238) 7.291 6.742 ( 1.240 0.000 0.231) 1.261 6.912 ( 1.708 0.000 0.321) 1.738 6.915 ( 3.260 0.000 -2.429) 4.065 7.046 ( 3.697 0.000 8.853) 9.594 7.139 ( -0.107 0.000 2.645) 2.648 7.245 ( -0.067 0.000 1.815) 1.816 7.328 ( 0.756 0.000 0.094) 0.762 7.473 ( 1.013 0.000 -4.236) 4.356 7.506 ( -0.181 0.000 1.991) 1.999 7.575 ( -1.418 0.000 0.862) 1.659 7.655 ( 0.153 0.000 1.146) 1.156 7.721 ( -1.301 0.000 -1.562) 2.033 7.872 ( 2.876 0.000 2.252) 3.653 8.010 ( -1.065 0.000 -1.726) 2.028 8.024 ( 0.698 0.000 -0.173) 0.719 8.099 ( -0.808 0.000 -3.624) 3.713 8.194 ( -1.650 0.000 0.778) 1.824 8.268 ( -0.228 0.000 -0.573) 0.616 8.285 ( -1.492 0.000 -1.850) 2.376 8.348 ( -0.738 0.000 -0.478) 0.879 8.453 ( 1.419 0.000 0.633) 1.554 8.512 ( -1.289 0.000 -4.565) 4.743 8.624 ( 1.136 0.000 -0.491) 1.237 8.669 ( -1.484 0.000 1.560) 2.153 8.733 ( -0.191 0.000 4.051) 4.055 8.895 ( 2.309 0.000 -0.921) 2.485 8.995 ( -0.935 0.000 -4.171) 4.274 9.334 ( 2.070 0.000 2.802) 3.483 9.348 ( -1.309 0.000 1.199) 1.775 12.574 ( 0.042 0.000 -0.124) 0.131 12.590 ( 0.298 0.000 0.097) 0.313 14.120 ( 2.416 0.000 0.525) 2.472 14.898 ( 0.464 0.000 -17.533) 17.539 16.926 ( 5.934 0.000 3.211) 6.747 16.976 ( 1.012 0.000 -1.475) 1.788 16.988 ( 1.156 0.000 -1.471) 1.871 17.034 ( 5.314 0.000 2.421) 5.839 17.309 ( 1.676 0.000 -3.990) 4.328 17.345 ( 3.461 0.000 -5.259) 6.296 17.430 ( -0.834 0.000 -0.142) 0.846 17.473 ( 2.498 0.000 -1.187) 2.766 17.683 ( 1.240 0.000 4.868) 5.023 17.865 ( 0.415 0.000 0.109) 0.429 18.008 ( -5.084 0.000 -1.183) 5.220 18.085 ( -2.102 0.000 -1.433) 2.544 18.132 ( 0.271 0.000 0.656) 0.709 18.157 ( 1.011 0.000 0.867) 1.332 18.200 ( -1.160 0.000 0.848) 1.437 18.300 ( -0.247 0.000 0.082) 0.260 18.718 ( 2.481 0.000 -0.496) 2.530 18.812 ( 1.393 0.000 -0.826) 1.620 19.040 ( -4.078 0.000 0.249) 4.086 19.193 ( -8.714 0.000 14.716) 17.103 19.495 ( 0.005 0.000 -1.072) 1.072 19.823 ( 1.086 0.000 -1.138) 1.573 19.833 ( -3.404 0.000 -4.777) 5.865 20.038 ( -3.179 0.000 -0.323) 3.196 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 15.741 0.000 3.020) 16.028 0.803 ( 19.427 0.000 3.913) 19.817 1.567 ( -2.282 0.000 -19.052) 19.188 1.654 ( -7.136 0.000 -3.650) 8.015 1.842 ( -7.521 0.000 -2.571) 7.948 1.940 ( 25.576 0.000 15.066) 29.684 2.015 ( -9.479 0.000 -4.950) 10.694 2.171 ( 2.331 0.000 -1.394) 2.716 2.356 ( 5.052 0.000 -5.010) 7.115 2.460 ( 4.702 0.000 8.765) 9.947 2.571 ( 0.488 0.000 1.108) 1.211 2.585 ( -1.538 0.000 5.513) 5.723 2.673 ( 7.650 0.000 6.535) 10.062 2.769 ( 1.811 0.000 -4.780) 5.112 3.000 ( -3.849 0.000 -2.566) 4.625 3.085 ( -8.651 0.000 -1.439) 8.770 3.091 ( 4.356 0.000 -0.275) 4.365 3.238 ( -3.686 0.000 6.695) 7.643 3.357 ( -12.012 0.000 -5.297) 13.128 3.470 ( 2.824 0.000 0.466) 2.862 3.516 ( -1.330 0.000 -5.309) 5.473 3.680 ( 8.014 0.000 3.714) 8.833 3.778 ( 2.690 0.000 3.657) 4.540 3.848 ( -2.114 0.000 0.235) 2.127 3.980 ( -3.153 0.000 -3.606) 4.790 4.034 ( -4.094 0.000 -5.393) 6.771 4.133 ( -1.186 0.000 -2.292) 2.581 4.175 ( 1.683 0.000 1.021) 1.968 4.355 ( 0.286 0.000 4.991) 4.999 4.405 ( -2.036 0.000 -0.910) 2.231 4.411 ( 1.096 0.000 2.429) 2.665 4.474 ( -1.470 0.000 -1.058) 1.811 4.575 ( 0.380 0.000 -2.987) 3.011 4.618 ( 4.434 0.000 -6.355) 7.749 4.702 ( 0.229 0.000 -0.497) 0.547 4.816 ( -4.101 0.000 0.412) 4.121 4.933 ( 0.045 0.000 5.533) 5.533 5.134 ( -0.229 0.000 9.945) 9.948 5.344 ( -0.789 0.000 -7.178) 7.221 5.494 ( -4.572 0.000 -4.907) 6.707 5.653 ( -8.093 0.000 -5.867) 9.996 5.669 ( -1.482 0.000 1.246) 1.936 6.008 ( -8.895 0.000 8.949) 12.618 6.058 ( -0.832 0.000 1.841) 2.020 6.095 ( 3.213 0.000 -3.336) 4.632 6.239 ( -5.052 0.000 -2.206) 5.512 6.321 ( 1.031 0.000 3.457) 3.608 6.392 ( 2.968 0.000 -4.177) 5.124 6.543 ( 1.066 0.000 2.616) 2.825 6.551 ( -0.313 0.000 1.367) 1.403 6.738 ( 5.748 0.000 5.897) 8.235 6.782 ( 2.028 0.000 0.138) 2.033 6.940 ( 0.648 0.000 -1.053) 1.236 6.980 ( 4.472 0.000 1.353) 4.672 7.153 ( -1.614 0.000 2.326) 2.831 7.190 ( 4.529 0.000 3.229) 5.562 7.214 ( -2.513 0.000 -1.111) 2.748 7.340 ( -0.505 0.000 0.750) 0.904 7.456 ( 1.386 0.000 -3.264) 3.546 7.525 ( -1.016 0.000 2.732) 2.915 7.556 ( -1.385 0.000 1.010) 1.714 7.645 ( -1.808 0.000 -0.310) 1.835 7.696 ( -0.300 0.000 -0.920) 0.967 7.928 ( 0.846 0.000 1.031) 1.334 7.979 ( 0.071 0.000 -1.503) 1.504 8.039 ( -2.288 0.000 -1.531) 2.753 8.050 ( 1.681 0.000 0.462) 1.743 8.169 ( -1.355 0.000 1.244) 1.839 8.248 ( -0.508 0.000 -1.224) 1.325 8.258 ( -0.430 0.000 0.057) 0.434 8.326 ( -0.601 0.000 -1.325) 1.455 8.458 ( -0.342 0.000 -2.675) 2.697 8.486 ( 0.633 0.000 1.623) 1.742 8.637 ( 0.868 0.000 -0.965) 1.298 8.654 ( -1.482 0.000 1.220) 1.920 8.742 ( -1.508 0.000 1.286) 1.982 8.931 ( 2.114 0.000 -0.815) 2.266 8.959 ( 0.505 0.000 -2.007) 2.069 9.335 ( -0.913 0.000 0.617) 1.102 9.392 ( 1.259 0.000 1.761) 2.165 12.574 ( 0.050 0.000 -0.111) 0.122 12.597 ( 0.307 0.000 0.101) 0.323 14.178 ( 2.566 0.000 0.558) 2.626 14.724 ( -3.632 0.000 -8.116) 8.892 16.980 ( 0.688 0.000 -0.933) 1.160 16.997 ( 0.340 0.000 0.135) 0.366 17.107 ( 7.667 0.000 4.570) 8.925 17.181 ( 5.541 0.000 3.014) 6.308 17.304 ( 1.146 0.000 -2.356) 2.620 17.357 ( 1.768 0.000 -2.432) 3.007 17.408 ( -0.863 0.000 -0.982) 1.307 17.535 ( 5.178 0.000 -0.912) 5.257 17.749 ( 0.567 0.000 3.603) 3.647 17.877 ( 0.503 0.000 0.346) 0.611 17.885 ( -6.215 0.000 0.234) 6.220 17.997 ( -4.780 0.000 -2.890) 5.586 18.142 ( 0.285 0.000 0.474) 0.553 18.181 ( -1.362 0.000 0.406) 1.421 18.199 ( 2.255 0.000 1.205) 2.557 18.289 ( -0.961 0.000 -0.153) 0.973 18.788 ( 5.327 0.000 -0.030) 5.327 18.834 ( 1.963 0.000 -1.286) 2.347 18.951 ( -4.945 0.000 0.121) 4.946 19.115 ( -9.320 0.000 4.006) 10.145 19.514 ( 1.640 0.000 1.178) 2.020 19.710 ( -3.476 0.000 -4.455) 5.651 19.833 ( 0.129 0.000 0.584) 0.598 19.965 ( -3.269 0.000 -0.601) 3.324 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.392 ( 0.000 0.000 0.000) 0.000 1.439 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.802 ( -0.000 0.000 -0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 -0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 -0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.842 ( 0.000 0.000 -0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.288 ( -0.000 0.000 -0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 -0.000) 0.000 4.388 ( -0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 -0.000) 0.000 4.695 ( 0.000 0.000 0.000) 0.000 4.738 ( -0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.133 ( -0.000 0.000 -0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.352 ( -0.000 0.000 -0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.862 ( -0.000 0.000 -0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.105 ( -0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 -0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 -0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 7.981 ( 0.000 0.000 0.000) 0.000 8.001 ( -0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.256 ( 0.000 0.000 -0.000) 0.000 8.307 ( 0.000 0.000 0.000) 0.000 8.443 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.639 ( -0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 -0.000) 0.000 8.728 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 8.957 ( 0.000 0.000 0.000) 0.000 9.329 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 12.574 ( 0.000 0.000 0.000) 0.000 12.601 ( 0.000 0.000 0.000) 0.000 14.209 ( 0.000 0.000 0.000) 0.000 14.643 ( 0.000 0.000 0.000) 0.000 16.982 ( 0.000 0.000 0.000) 0.000 17.001 ( 0.000 0.000 0.000) 0.000 17.234 ( -0.000 0.000 -0.000) 0.000 17.251 ( 0.000 0.000 0.000) 0.000 17.304 ( -0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 17.386 ( 0.000 0.000 0.000) 0.000 17.606 ( 0.000 0.000 0.000) 0.000 17.771 ( 0.000 0.000 -0.000) 0.000 17.831 ( 0.000 0.000 0.000) 0.000 17.885 ( 0.000 0.000 0.000) 0.000 17.894 ( 0.000 0.000 0.000) 0.000 18.150 ( 0.000 0.000 0.000) 0.000 18.166 ( -0.000 0.000 0.000) 0.000 18.248 ( -0.000 0.000 -0.000) 0.000 18.262 ( 0.000 0.000 0.000) 0.000 18.864 ( 0.000 0.000 0.000) 0.000 18.879 ( -0.000 0.000 0.000) 0.000 18.890 ( 0.000 0.000 0.000) 0.000 18.987 ( 0.000 0.000 0.000) 0.000 19.543 ( 0.000 0.000 0.000) 0.000 19.649 ( 0.000 0.000 0.000) 0.000 19.837 ( 0.000 0.000 0.000) 0.000 19.926 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 0.000 19.670 0.000) 19.670 0.657 ( 0.000 31.698 0.000) 31.698 0.717 ( 0.000 34.263 0.000) 34.263 1.831 ( 0.000 -4.247 0.000) 4.247 2.065 ( 0.000 1.351 0.000) 1.351 2.065 ( 0.000 -1.363 0.000) 1.363 2.196 ( 0.000 3.752 0.000) 3.752 2.273 ( 0.000 5.141 0.000) 5.141 2.288 ( 0.000 3.207 0.000) 3.207 2.408 ( 0.000 -7.054 0.000) 7.054 2.544 ( 0.000 11.924 0.000) 11.924 2.690 ( 0.000 7.236 0.000) 7.236 2.749 ( 0.000 0.800 0.000) 0.800 2.833 ( 0.000 10.822 0.000) 10.822 2.842 ( 0.000 -0.366 0.000) 0.366 3.124 ( 0.000 -5.083 0.000) 5.083 3.147 ( 0.000 0.956 0.000) 0.956 3.252 ( 0.000 -1.192 0.000) 1.192 3.346 ( 0.000 -4.646 0.000) 4.646 3.397 ( 0.000 5.751 0.000) 5.751 3.474 ( 0.000 -6.506 0.000) 6.506 3.616 ( 0.000 5.290 0.000) 5.290 3.761 ( 0.000 6.270 0.000) 6.270 3.985 ( 0.000 -1.155 0.000) 1.155 4.021 ( 0.000 -1.113 0.000) 1.113 4.078 ( 0.000 -6.973 0.000) 6.973 4.217 ( 0.000 -2.224 0.000) 2.224 4.224 ( 0.000 -1.810 0.000) 1.810 4.349 ( 0.000 1.018 0.000) 1.018 4.398 ( 0.000 -9.584 0.000) 9.584 4.406 ( 0.000 -2.442 0.000) 2.442 4.491 ( 0.000 -0.034 0.000) 0.034 4.606 ( 0.000 -0.193 0.000) 0.193 4.628 ( 0.000 -3.377 0.000) 3.377 4.795 ( 0.000 3.220 0.000) 3.220 4.863 ( 0.000 3.658 0.000) 3.658 4.980 ( 0.000 2.437 0.000) 2.437 5.153 ( 0.000 -0.718 0.000) 0.718 5.328 ( 0.000 -3.546 0.000) 3.546 5.518 ( 0.000 -1.980 0.000) 1.980 5.646 ( 0.000 -2.867 0.000) 2.867 5.834 ( 0.000 1.991 0.000) 1.991 5.941 ( 0.000 -3.960 0.000) 3.960 6.058 ( 0.000 -7.067 0.000) 7.067 6.100 ( 0.000 -3.423 0.000) 3.423 6.203 ( 0.000 -7.923 0.000) 7.923 6.217 ( 0.000 1.199 0.000) 1.199 6.475 ( 0.000 -3.872 0.000) 3.872 6.523 ( 0.000 1.969 0.000) 1.969 6.569 ( 0.000 6.896 0.000) 6.896 6.641 ( 0.000 7.141 0.000) 7.141 6.851 ( 0.000 -2.001 0.000) 2.001 6.867 ( 0.000 -4.383 0.000) 4.383 6.905 ( 0.000 1.785 0.000) 1.785 7.020 ( 0.000 0.176 0.000) 0.176 7.100 ( 0.000 -1.716 0.000) 1.716 7.228 ( 0.000 1.806 0.000) 1.806 7.357 ( 0.000 2.680 0.000) 2.680 7.405 ( 0.000 -1.519 0.000) 1.519 7.446 ( 0.000 -4.050 0.000) 4.050 7.625 ( 0.000 3.402 0.000) 3.402 7.630 ( 0.000 -0.941 0.000) 0.941 7.797 ( 0.000 0.975 0.000) 0.975 7.854 ( 0.000 3.909 0.000) 3.909 7.986 ( 0.000 -2.823 0.000) 2.823 8.008 ( 0.000 -2.164 0.000) 2.164 8.129 ( 0.000 1.689 0.000) 1.689 8.183 ( 0.000 -3.191 0.000) 3.191 8.267 ( 0.000 -3.267 0.000) 3.267 8.294 ( 0.000 1.127 0.000) 1.127 8.347 ( 0.000 1.311 0.000) 1.311 8.367 ( 0.000 1.060 0.000) 1.060 8.551 ( 0.000 -1.553 0.000) 1.553 8.605 ( 0.000 -0.911 0.000) 0.911 8.627 ( 0.000 -3.082 0.000) 3.082 8.729 ( 0.000 1.427 0.000) 1.427 8.924 ( 0.000 4.151 0.000) 4.151 9.058 ( 0.000 0.983 0.000) 0.983 9.277 ( 0.000 -1.105 0.000) 1.105 9.344 ( 0.000 -0.573 0.000) 0.573 12.662 ( 0.000 7.201 0.000) 7.201 13.194 ( 0.000 1.313 0.000) 1.313 14.068 ( 0.000 -2.354 0.000) 2.354 14.437 ( 0.000 -6.475 0.000) 6.475 16.961 ( 0.000 0.953 0.000) 0.953 16.983 ( 0.000 0.859 0.000) 0.859 17.017 ( 0.000 2.490 0.000) 2.490 17.055 ( 0.000 1.172 0.000) 1.172 17.301 ( 0.000 1.072 0.000) 1.072 17.334 ( 0.000 1.749 0.000) 1.749 17.436 ( 0.000 -0.744 0.000) 0.744 17.569 ( 0.000 3.716 0.000) 3.716 17.624 ( 0.000 -1.434 0.000) 1.434 17.835 ( 0.000 -2.538 0.000) 2.538 17.996 ( 0.000 0.672 0.000) 0.672 18.049 ( 0.000 -3.342 0.000) 3.342 18.107 ( 0.000 -0.981 0.000) 0.981 18.121 ( 0.000 -0.567 0.000) 0.567 18.190 ( 0.000 -1.385 0.000) 1.385 18.267 ( 0.000 -2.391 0.000) 2.391 18.741 ( 0.000 1.724 0.000) 1.724 18.783 ( 0.000 0.844 0.000) 0.844 19.050 ( 0.000 -2.653 0.000) 2.653 19.390 ( 0.000 2.662 0.000) 2.662 19.401 ( 0.000 -6.211 0.000) 6.211 19.608 ( 0.000 3.144 0.000) 3.144 19.839 ( 0.000 -5.314 0.000) 5.314 20.037 ( 0.000 -4.044 0.000) 4.044 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 6.719 20.870 10.908) 24.489 0.784 ( 15.084 23.754 0.097) 28.139 1.120 ( 31.014 16.593 14.206) 37.934 1.806 ( 1.031 -4.141 -11.100) 11.892 1.945 ( -3.709 3.104 -10.634) 11.682 2.079 ( -7.103 0.995 -2.669) 7.652 2.123 ( -1.671 1.643 1.517) 2.791 2.211 ( -1.242 -1.355 -0.600) 1.934 2.316 ( -0.360 5.039 -3.541) 6.170 2.393 ( 3.988 0.593 0.992) 4.152 2.581 ( -6.928 10.872 2.254) 13.087 2.612 ( 2.615 5.553 -0.625) 6.170 2.700 ( -3.666 -2.864 0.961) 4.750 2.821 ( -1.675 3.860 0.006) 4.208 2.923 ( 4.563 1.457 2.471) 5.390 3.095 ( -3.472 -1.051 -2.137) 4.210 3.150 ( 1.856 0.383 0.618) 1.993 3.308 ( -0.563 -3.374 1.868) 3.897 3.389 ( -2.800 -2.919 3.559) 5.387 3.411 ( 3.655 -1.381 2.221) 4.494 3.445 ( 0.693 -3.449 -0.967) 3.649 3.655 ( 3.032 4.958 -0.088) 5.812 3.757 ( -1.709 7.535 1.387) 7.850 3.951 ( 1.251 1.165 -4.136) 4.476 4.035 ( -0.605 -6.129 -3.600) 7.134 4.091 ( -0.907 0.514 0.140) 1.052 4.166 ( -6.720 -0.437 -0.546) 6.756 4.210 ( 0.050 -1.163 -0.043) 1.165 4.241 ( -2.490 -3.980 -0.367) 4.709 4.332 ( 2.501 0.095 -0.398) 2.534 4.427 ( -0.399 -4.411 2.083) 4.894 4.461 ( -0.896 0.105 -2.291) 2.463 4.594 ( 0.804 -2.424 -0.688) 2.645 4.640 ( -0.754 0.125 -0.777) 1.090 4.759 ( -2.198 2.310 -3.032) 4.400 4.874 ( 0.782 1.433 -1.948) 2.541 5.020 ( -1.896 4.577 -2.227) 5.431 5.044 ( 0.321 1.977 6.447) 6.751 5.384 ( 0.640 -2.695 -0.070) 2.771 5.598 ( 0.057 -3.314 -1.027) 3.469 5.654 ( -3.797 -3.180 -2.045) 5.358 5.839 ( 0.771 -4.786 6.623) 8.208 5.873 ( -6.842 -4.108 4.164) 9.001 6.071 ( -1.262 -4.843 0.306) 5.014 6.093 ( 1.460 -1.730 -2.425) 3.318 6.224 ( -2.894 -1.429 1.670) 3.634 6.334 ( 5.161 -6.601 7.955) 11.553 6.387 ( -3.702 -1.160 0.662) 3.935 6.443 ( -2.006 2.533 -5.628) 6.489 6.583 ( -0.791 2.494 2.063) 3.332 6.671 ( 2.231 5.238 -1.451) 5.875 6.826 ( -1.759 2.161 0.255) 2.799 6.889 ( 0.832 -2.595 2.278) 3.552 6.970 ( 0.559 3.252 0.826) 3.401 6.993 ( 2.294 -2.514 4.171) 5.383 7.133 ( 1.179 0.018 3.441) 3.638 7.216 ( -0.291 -0.827 -0.533) 1.026 7.349 ( -0.760 0.457 0.641) 1.095 7.461 ( 3.541 -0.631 -3.139) 4.774 7.467 ( 1.336 -2.361 1.939) 3.335 7.589 ( -2.222 0.939 0.745) 2.525 7.660 ( 0.963 1.031 0.532) 1.508 7.764 ( -1.251 3.310 -0.854) 3.640 7.892 ( 1.862 1.418 0.726) 2.451 7.986 ( -0.631 -2.456 0.403) 2.568 8.007 ( 1.665 -0.976 -1.301) 2.328 8.116 ( -1.326 0.372 -1.504) 2.039 8.177 ( -0.773 -1.817 0.713) 2.099 8.238 ( -1.587 -1.910 -0.217) 2.493 8.263 ( -1.159 -0.823 -2.453) 2.835 8.352 ( -1.168 0.271 0.306) 1.237 8.434 ( 3.724 -0.259 1.206) 3.923 8.515 ( -1.124 -0.108 -3.319) 3.506 8.605 ( 0.868 -1.746 -0.430) 1.997 8.637 ( -0.704 -2.303 1.750) 2.977 8.749 ( -0.301 0.886 3.389) 3.516 8.936 ( 1.808 3.561 -1.443) 4.246 9.009 ( -1.413 1.206 -3.998) 4.409 9.317 ( 1.511 -1.406 2.297) 3.088 9.342 ( -0.355 -0.549 1.014) 1.207 12.667 ( 0.254 7.369 0.292) 7.379 12.856 ( -12.085 16.502 -4.422) 20.927 14.097 ( 2.377 -2.303 0.541) 3.354 14.631 ( 6.987 -17.657 -6.143) 19.958 16.970 ( 1.027 1.789 1.302) 2.439 16.985 ( 0.475 0.836 -0.726) 1.205 17.007 ( 0.316 2.324 -1.136) 2.606 17.053 ( 3.498 1.228 1.049) 3.853 17.294 ( 1.006 -0.890 -4.354) 4.556 17.310 ( 1.975 -0.652 -2.710) 3.416 17.460 ( -0.249 0.304 1.947) 1.986 17.499 ( 0.263 3.130 -1.493) 3.478 17.708 ( 2.042 1.473 3.945) 4.680 17.833 ( -0.238 -3.070 -0.300) 3.094 18.008 ( -3.613 -0.495 -0.561) 3.690 18.055 ( 0.330 -3.054 0.295) 3.086 18.099 ( -0.795 -0.732 0.762) 1.322 18.120 ( 0.561 -2.582 0.666) 2.725 18.189 ( -0.521 -1.142 0.374) 1.310 18.265 ( -0.584 -2.585 0.443) 2.687 18.753 ( 2.131 2.464 -0.378) 3.279 18.806 ( 1.525 -0.019 0.108) 1.529 19.015 ( -3.361 -2.149 0.056) 3.989 19.254 ( -8.388 2.112 6.553) 10.852 19.487 ( 2.424 -0.109 -0.378) 2.456 19.736 ( 4.602 -4.308 0.853) 6.361 19.789 ( -2.442 -4.291 -3.903) 6.294 20.009 ( -2.597 -3.251 -0.135) 4.163 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 9.694 15.606 11.061) 21.445 1.088 ( 16.727 20.044 -2.431) 26.220 1.604 ( -1.689 3.236 -17.753) 18.125 1.746 ( -3.435 7.803 -3.833) 9.347 1.855 ( 0.200 2.616 -0.675) 2.709 1.938 ( 8.833 -3.165 4.063) 10.225 2.030 ( -6.074 1.629 -1.647) 6.501 2.114 ( 4.164 1.055 0.125) 4.297 2.436 ( 3.748 -2.625 7.157) 8.495 2.448 ( -4.793 -1.433 5.978) 7.794 2.512 ( 7.687 4.562 -5.331) 10.408 2.667 ( -2.107 4.672 8.044) 9.538 2.723 ( 4.425 -1.165 -2.458) 5.195 2.822 ( 3.966 8.968 1.144) 9.873 2.951 ( -7.550 -5.570 2.456) 9.698 2.998 ( 0.122 -0.818 -1.771) 1.955 3.207 ( -0.544 0.877 -0.742) 1.271 3.264 ( -5.513 2.255 2.414) 6.428 3.306 ( -3.119 -0.296 -3.219) 4.492 3.430 ( 1.324 -0.504 0.681) 1.573 3.526 ( 1.551 -1.745 -4.177) 4.785 3.671 ( -0.516 0.580 0.235) 0.811 3.749 ( -0.916 0.766 2.384) 2.666 3.903 ( -3.720 0.365 -1.442) 4.006 4.003 ( 2.804 -0.332 -2.945) 4.080 4.041 ( -1.210 -0.890 -2.572) 2.979 4.086 ( -3.494 -0.960 -3.735) 5.203 4.165 ( -0.268 0.966 4.201) 4.319 4.293 ( 3.204 -7.653 0.588) 8.317 4.383 ( -3.960 -0.890 0.968) 4.173 4.405 ( -1.417 -3.953 0.358) 4.214 4.442 ( 1.615 0.459 0.646) 1.799 4.567 ( -0.276 -0.206 -2.100) 2.128 4.643 ( 4.231 1.780 -3.273) 5.638 4.727 ( -0.066 2.141 -0.426) 2.184 4.830 ( -3.849 1.596 -0.489) 4.196 4.991 ( -0.299 3.466 1.830) 3.931 5.148 ( 1.422 1.524 8.464) 8.717 5.372 ( -1.299 2.550 -2.538) 3.826 5.529 ( -3.339 2.027 -4.596) 6.032 5.561 ( -0.686 -4.829 -2.011) 5.276 5.738 ( -5.462 3.013 -3.333) 7.072 5.924 ( -2.172 -5.553 8.161) 10.107 6.043 ( -2.519 -3.874 1.821) 4.967 6.069 ( 0.433 -2.315 -4.087) 4.717 6.139 ( -3.060 -6.186 -0.895) 6.959 6.343 ( -2.894 -0.024 -1.809) 3.412 6.403 ( 2.031 1.328 0.555) 2.489 6.476 ( 0.842 -4.099 3.622) 5.534 6.627 ( 2.701 2.721 3.006) 4.871 6.713 ( 3.098 0.352 1.730) 3.566 6.823 ( 1.217 1.376 -0.824) 2.014 6.935 ( 0.214 -1.215 3.349) 3.569 7.004 ( 3.349 3.465 -1.900) 5.180 7.047 ( 0.107 -7.895 1.334) 8.008 7.134 ( -3.017 -3.211 -0.235) 4.412 7.251 ( 3.024 1.575 1.754) 3.835 7.359 ( 1.086 0.677 0.249) 1.304 7.461 ( 0.401 0.207 -1.572) 1.636 7.508 ( -0.069 -0.581 1.227) 1.359 7.567 ( -1.174 0.831 1.392) 2.002 7.657 ( -0.962 0.953 -1.304) 1.880 7.738 ( -0.810 3.496 -0.658) 3.649 7.922 ( 1.303 0.067 -0.271) 1.332 7.977 ( -0.584 -0.643 0.320) 0.925 8.042 ( 0.832 -0.951 0.148) 1.272 8.065 ( -1.153 1.358 -0.473) 1.843 8.169 ( -0.412 0.029 0.341) 0.536 8.215 ( -0.646 -1.969 0.243) 2.086 8.230 ( -0.279 -1.633 -0.567) 1.751 8.322 ( -1.291 -0.509 -1.313) 1.910 8.458 ( -0.306 0.133 -2.947) 2.966 8.504 ( 1.112 0.869 2.053) 2.491 8.616 ( -0.464 -2.054 1.026) 2.342 8.637 ( 0.293 -0.673 -0.199) 0.761 8.765 ( -0.942 1.279 1.876) 2.458 8.954 ( 1.285 2.026 -1.750) 2.969 8.963 ( 0.329 0.707 -2.118) 2.257 9.325 ( -0.737 -0.878 0.602) 1.294 9.379 ( 1.192 -1.196 1.597) 2.324 12.667 ( -0.581 7.675 -0.281) 7.702 12.718 ( -1.917 11.300 -0.487) 11.472 14.154 ( 2.403 -2.503 0.560) 3.515 14.588 ( -1.663 -11.744 -5.627) 13.128 16.986 ( 0.596 0.331 -0.916) 1.142 17.004 ( 0.214 0.612 0.527) 0.835 17.075 ( 5.210 -2.701 2.227) 6.277 17.148 ( 3.948 -2.376 1.170) 4.754 17.289 ( 1.876 -1.046 -1.457) 2.596 17.333 ( 0.681 -0.824 1.781) 2.078 17.440 ( -1.360 1.481 -1.283) 2.385 17.545 ( 4.675 1.169 -1.259) 4.981 17.765 ( 0.351 0.132 1.828) 1.866 17.811 ( -2.022 -3.327 0.247) 3.901 17.938 ( -2.521 2.080 0.729) 3.348 17.989 ( -4.458 -0.803 -2.689) 5.268 18.116 ( 0.542 -1.841 1.451) 2.406 18.150 ( 1.376 -3.136 0.185) 3.430 18.179 ( -0.395 -0.889 0.592) 1.139 18.251 ( -1.230 -2.765 -0.014) 3.026 18.819 ( 4.711 1.743 -0.258) 5.030 18.838 ( 2.388 0.670 -0.249) 2.492 18.940 ( -4.066 -1.000 0.102) 4.188 19.134 ( -8.921 0.861 1.824) 9.146 19.542 ( 2.146 2.430 1.384) 3.525 19.686 ( -2.146 -1.969 -3.768) 4.763 19.780 ( -0.282 -4.601 0.327) 4.621 19.956 ( -2.261 -0.989 -0.061) 2.469 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.000 13.355 0.000) 13.355 1.283 ( -0.000 14.572 0.000) 14.572 1.489 ( -0.000 4.611 -0.000) 4.611 1.549 ( 0.000 14.393 0.000) 14.393 1.769 ( -0.000 3.719 -0.000) 3.719 1.887 ( 0.000 2.553 0.000) 2.553 2.031 ( -0.000 -10.043 0.000) 10.043 2.377 ( 0.000 -8.822 0.000) 8.822 2.417 ( -0.000 -5.552 -0.000) 5.552 2.538 ( -0.000 10.597 -0.000) 10.597 2.685 ( -0.000 0.822 0.000) 0.822 2.696 ( 0.000 -1.997 -0.000) 1.997 2.787 ( 0.000 2.143 0.000) 2.143 2.824 ( -0.000 5.019 -0.000) 5.019 2.885 ( 0.000 -3.153 0.000) 3.153 2.979 ( 0.000 3.514 0.000) 3.514 3.101 ( -0.000 -2.058 -0.000) 2.058 3.151 ( -0.000 8.519 -0.000) 8.519 3.333 ( 0.000 4.385 -0.000) 4.385 3.471 ( -0.000 -4.544 0.000) 4.544 3.473 ( 0.000 1.132 -0.000) 1.132 3.593 ( -0.000 -7.695 0.000) 7.695 3.839 ( -0.000 1.777 -0.000) 1.777 3.850 ( 0.000 0.802 0.000) 0.802 3.949 ( -0.000 -1.821 -0.000) 1.821 4.034 ( -0.000 -1.115 0.000) 1.115 4.066 ( -0.000 5.254 0.000) 5.254 4.209 ( 0.000 -3.792 -0.000) 3.792 4.270 ( 0.000 -1.687 0.000) 1.687 4.361 ( -0.000 -9.646 -0.000) 9.646 4.370 ( 0.000 -0.375 0.000) 0.375 4.486 ( 0.000 1.163 0.000) 1.163 4.571 ( 0.000 -1.179 0.000) 1.179 4.709 ( -0.000 2.488 0.000) 2.488 4.733 ( -0.000 4.112 0.000) 4.112 4.734 ( 0.000 0.352 -0.000) 0.352 5.004 ( 0.000 0.740 -0.000) 0.740 5.235 ( 0.000 3.240 -0.000) 3.240 5.316 ( 0.000 2.417 0.000) 2.417 5.449 ( -0.000 3.701 -0.000) 3.701 5.594 ( -0.000 5.805 -0.000) 5.805 5.623 ( 0.000 -3.944 0.000) 3.944 5.935 ( -0.000 -2.197 -0.000) 2.197 6.022 ( 0.000 -3.443 0.000) 3.443 6.085 ( -0.000 -4.559 -0.000) 4.559 6.086 ( 0.000 -5.105 0.000) 5.105 6.300 ( 0.000 -4.368 0.000) 4.368 6.428 ( 0.000 0.917 -0.000) 0.917 6.499 ( 0.000 -1.728 0.000) 1.728 6.668 ( 0.000 5.751 0.000) 5.751 6.788 ( -0.000 -0.868 -0.000) 0.868 6.828 ( 0.000 -3.553 0.000) 3.553 6.938 ( 0.000 1.828 0.000) 1.828 7.047 ( -0.000 -9.195 -0.000) 9.195 7.067 ( -0.000 0.400 0.000) 0.400 7.070 ( 0.000 -3.709 -0.000) 3.709 7.298 ( 0.000 2.491 -0.000) 2.491 7.373 ( 0.000 1.114 0.000) 1.114 7.456 ( -0.000 0.586 0.000) 0.586 7.507 ( 0.000 -0.743 0.000) 0.743 7.566 ( 0.000 1.137 0.000) 1.137 7.628 ( 0.000 0.984 -0.000) 0.984 7.724 ( -0.000 3.351 0.000) 3.351 7.936 ( -0.000 0.623 0.000) 0.623 7.971 ( 0.000 -0.545 -0.000) 0.545 8.024 ( -0.000 0.079 -0.000) 0.079 8.082 ( -0.000 0.936 0.000) 0.936 8.162 ( 0.000 -0.677 -0.000) 0.677 8.223 ( 0.000 -1.205 -0.000) 1.205 8.229 ( -0.000 -0.625 0.000) 0.625 8.292 ( 0.000 -1.773 0.000) 1.773 8.438 ( -0.000 -0.258 -0.000) 0.258 8.529 ( -0.000 1.493 -0.000) 1.493 8.612 ( -0.000 -2.055 -0.000) 2.055 8.642 ( -0.000 0.210 -0.000) 0.210 8.762 ( -0.000 2.012 0.000) 2.012 8.951 ( 0.000 -0.072 0.000) 0.072 8.966 ( -0.000 1.395 0.000) 1.395 9.321 ( -0.000 -0.771 0.000) 0.771 9.399 ( -0.000 -1.312 0.000) 1.312 12.655 ( 0.000 7.482 0.000) 7.482 12.707 ( 0.000 9.773 0.000) 9.773 14.182 ( 0.000 -2.741 0.000) 2.741 14.536 ( -0.000 -9.577 0.000) 9.577 16.987 ( -0.000 0.195 0.000) 0.195 17.009 ( 0.000 0.584 -0.000) 0.584 17.148 ( 0.000 -6.322 0.000) 6.322 17.191 ( 0.000 -3.883 -0.000) 3.883 17.319 ( 0.000 0.207 0.000) 0.207 17.371 ( 0.000 0.116 0.000) 0.116 17.392 ( -0.000 0.500 0.000) 0.500 17.601 ( -0.000 -0.346 -0.000) 0.346 17.770 ( 0.000 -1.789 0.000) 1.789 17.795 ( -0.000 -2.139 -0.000) 2.139 17.900 ( 0.000 0.878 0.000) 0.878 17.924 ( 0.000 2.303 0.000) 2.303 18.133 ( 0.000 -1.128 -0.000) 1.128 18.150 ( 0.000 -1.572 -0.000) 1.572 18.205 ( -0.000 -3.825 -0.000) 3.825 18.224 ( 0.000 -1.824 0.000) 1.824 18.869 ( -0.000 -0.950 0.000) 0.950 18.874 ( 0.000 0.197 -0.000) 0.197 18.937 ( -0.000 3.411 0.000) 3.411 18.993 ( 0.000 0.469 0.000) 0.469 19.565 ( 0.000 0.722 0.000) 0.722 19.654 ( 0.000 1.650 0.000) 1.650 19.773 ( 0.000 -5.559 -0.000) 5.559 19.933 ( -0.000 0.207 0.000) 0.207 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 22.089 0.000) 22.089 1.291 ( 0.000 29.855 0.000) 29.855 1.388 ( 0.000 30.651 0.000) 30.651 1.744 ( 0.000 -2.871 0.000) 2.871 2.035 ( 0.000 -1.506 0.000) 1.506 2.130 ( 0.000 4.579 0.000) 4.579 2.181 ( 0.000 -5.683 0.000) 5.683 2.317 ( 0.000 -2.178 0.000) 2.178 2.401 ( 0.000 6.942 0.000) 6.942 2.444 ( 0.000 10.327 0.000) 10.327 2.785 ( 0.000 10.368 0.000) 10.368 2.794 ( 0.000 4.835 0.000) 4.835 2.837 ( 0.000 0.561 0.000) 0.561 2.890 ( 0.000 8.096 0.000) 8.096 2.995 ( 0.000 -10.721 0.000) 10.721 3.017 ( 0.000 0.310 0.000) 0.310 3.096 ( 0.000 8.357 0.000) 8.357 3.213 ( 0.000 2.771 0.000) 2.771 3.295 ( 0.000 -10.254 0.000) 10.254 3.427 ( 0.000 3.621 0.000) 3.621 3.532 ( 0.000 6.272 0.000) 6.272 3.712 ( 0.000 2.265 0.000) 2.265 3.846 ( 0.000 3.362 0.000) 3.362 3.859 ( 0.000 -10.412 0.000) 10.412 3.991 ( 0.000 1.401 0.000) 1.401 4.033 ( 0.000 -1.085 0.000) 1.085 4.114 ( 0.000 -8.902 0.000) 8.902 4.137 ( 0.000 -4.297 0.000) 4.297 4.278 ( 0.000 -1.313 0.000) 1.313 4.317 ( 0.000 -3.829 0.000) 3.829 4.379 ( 0.000 0.674 0.000) 0.674 4.522 ( 0.000 -6.549 0.000) 6.549 4.526 ( 0.000 3.027 0.000) 3.027 4.571 ( 0.000 -3.324 0.000) 3.324 4.845 ( 0.000 0.926 0.000) 0.926 4.902 ( 0.000 0.014 0.000) 0.014 5.047 ( 0.000 4.101 0.000) 4.101 5.153 ( 0.000 0.844 0.000) 0.844 5.238 ( 0.000 -4.703 0.000) 4.703 5.474 ( 0.000 -2.312 0.000) 2.312 5.576 ( 0.000 -4.181 0.000) 4.181 5.835 ( 0.000 -2.726 0.000) 2.726 5.845 ( 0.000 -5.391 0.000) 5.391 5.934 ( 0.000 -4.102 0.000) 4.102 5.973 ( 0.000 -8.119 0.000) 8.119 6.060 ( 0.000 -5.247 0.000) 5.247 6.203 ( 0.000 -2.962 0.000) 2.962 6.352 ( 0.000 -8.018 0.000) 8.018 6.576 ( 0.000 2.291 0.000) 2.291 6.660 ( 0.000 2.338 0.000) 2.338 6.782 ( 0.000 0.798 0.000) 0.798 6.824 ( 0.000 5.777 0.000) 5.777 6.830 ( 0.000 1.995 0.000) 1.995 6.945 ( 0.000 1.099 0.000) 1.099 7.032 ( 0.000 0.863 0.000) 0.863 7.091 ( 0.000 1.758 0.000) 1.758 7.273 ( 0.000 2.269 0.000) 2.269 7.354 ( 0.000 -3.713 0.000) 3.713 7.413 ( 0.000 1.263 0.000) 1.263 7.421 ( 0.000 3.523 0.000) 3.523 7.604 ( 0.000 -1.546 0.000) 1.546 7.696 ( 0.000 2.622 0.000) 2.622 7.825 ( 0.000 1.635 0.000) 1.635 7.880 ( 0.000 -2.881 0.000) 2.881 7.957 ( 0.000 -2.368 0.000) 2.368 7.966 ( 0.000 1.984 0.000) 1.984 8.094 ( 0.000 -4.992 0.000) 4.992 8.129 ( 0.000 -1.743 0.000) 1.743 8.198 ( 0.000 -3.034 0.000) 3.034 8.316 ( 0.000 1.202 0.000) 1.202 8.374 ( 0.000 1.217 0.000) 1.217 8.400 ( 0.000 1.465 0.000) 1.465 8.514 ( 0.000 -2.134 0.000) 2.134 8.564 ( 0.000 -2.860 0.000) 2.860 8.597 ( 0.000 0.694 0.000) 0.694 8.749 ( 0.000 0.499 0.000) 0.499 9.016 ( 0.000 4.326 0.000) 4.326 9.089 ( 0.000 2.064 0.000) 2.064 9.246 ( 0.000 -1.786 0.000) 1.786 9.326 ( 0.000 -1.154 0.000) 1.154 12.865 ( 0.000 12.170 0.000) 12.170 13.241 ( 0.000 3.356 0.000) 3.356 13.992 ( 0.000 -5.198 0.000) 5.198 14.256 ( 0.000 -10.725 0.000) 10.725 16.997 ( 0.000 0.274 0.000) 0.274 16.999 ( 0.000 2.089 0.000) 2.089 17.055 ( 0.000 1.576 0.000) 1.576 17.099 ( 0.000 3.289 0.000) 3.289 17.350 ( 0.000 3.471 0.000) 3.471 17.387 ( 0.000 3.251 0.000) 3.251 17.437 ( 0.000 0.912 0.000) 0.912 17.586 ( 0.000 -2.138 0.000) 2.138 17.649 ( 0.000 3.662 0.000) 3.662 17.752 ( 0.000 -5.505 0.000) 5.505 17.931 ( 0.000 -6.881 0.000) 6.881 18.004 ( 0.000 -0.139 0.000) 0.139 18.101 ( 0.000 0.256 0.000) 0.256 18.121 ( 0.000 0.262 0.000) 0.262 18.149 ( 0.000 -1.969 0.000) 1.969 18.235 ( 0.000 -0.863 0.000) 0.863 18.782 ( 0.000 2.008 0.000) 2.008 18.795 ( 0.000 0.263 0.000) 0.263 18.988 ( 0.000 -3.126 0.000) 3.126 19.268 ( 0.000 -6.763 0.000) 6.763 19.457 ( 0.000 3.704 0.000) 3.704 19.641 ( 0.000 -0.362 0.000) 0.362 19.696 ( 0.000 -8.011 0.000) 8.011 19.926 ( 0.000 -6.198 0.000) 6.198 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 12.214 17.384 10.186) 23.562 1.322 ( 1.817 27.560 8.490) 28.895 1.563 ( 13.727 18.123 0.820) 22.750 1.729 ( 6.122 2.520 -8.485) 10.762 2.002 ( -4.462 1.807 -5.237) 7.114 2.098 ( -2.583 3.338 -4.250) 5.989 2.155 ( -2.146 -3.429 3.042) 5.061 2.231 ( -3.393 4.277 -4.643) 7.167 2.404 ( 3.131 0.284 1.591) 3.523 2.480 ( -0.861 9.175 -0.589) 9.235 2.635 ( -4.739 2.728 0.260) 5.474 2.691 ( -12.895 1.310 -2.522) 13.205 2.835 ( -0.951 2.473 0.737) 2.750 2.882 ( -0.326 8.674 -1.494) 8.808 2.967 ( -4.628 -8.947 0.459) 10.084 3.047 ( 2.323 7.794 1.038) 8.199 3.116 ( -0.508 -1.989 4.359) 4.818 3.226 ( -0.292 -7.220 -0.881) 7.279 3.350 ( 10.067 3.644 -0.758) 10.733 3.436 ( -1.168 5.380 2.666) 6.117 3.562 ( -0.938 8.201 3.105) 8.819 3.712 ( 1.451 -0.791 -2.872) 3.314 3.852 ( 0.119 -8.716 -0.523) 8.732 3.893 ( -1.496 2.500 0.937) 3.060 3.957 ( 0.559 1.194 -2.643) 2.954 4.036 ( -1.113 -3.309 -0.567) 3.537 4.102 ( -2.219 -5.270 -0.914) 5.790 4.155 ( 0.571 -5.610 1.531) 5.843 4.204 ( 0.569 -1.056 -5.492) 5.622 4.255 ( -3.131 -1.712 3.313) 4.869 4.399 ( 0.189 -0.625 -0.012) 0.653 4.474 ( -1.099 -0.250 -4.799) 4.929 4.551 ( 1.050 -0.974 1.233) 1.890 4.631 ( 2.494 -1.737 2.809) 4.138 4.802 ( -2.823 1.330 -1.435) 3.435 4.885 ( -0.956 -0.607 -0.357) 1.188 5.066 ( 0.510 2.152 -1.481) 2.661 5.126 ( 1.087 4.142 0.506) 4.312 5.309 ( 3.300 -4.390 3.453) 6.487 5.541 ( 2.222 -1.630 1.598) 3.186 5.574 ( -2.869 -5.583 -4.454) 7.697 5.709 ( -2.318 -6.554 6.123) 9.264 5.817 ( -0.586 -3.194 -1.772) 3.700 5.952 ( -1.479 -5.847 -0.241) 6.036 6.018 ( -0.456 -3.699 -1.791) 4.135 6.192 ( 5.751 -6.810 11.374) 14.450 6.214 ( -3.295 -0.917 0.338) 3.437 6.330 ( -0.094 -4.732 5.388) 7.172 6.516 ( -0.779 1.208 -4.784) 4.995 6.567 ( -5.663 -0.376 -5.690) 8.037 6.775 ( -0.192 3.531 -1.128) 3.711 6.849 ( 2.673 1.201 -3.260) 4.384 6.857 ( 0.979 1.819 1.793) 2.735 6.941 ( -0.297 -1.769 -0.782) 1.957 7.033 ( 0.487 2.014 3.381) 3.965 7.137 ( 0.116 0.088 3.596) 3.599 7.260 ( 0.598 4.548 -3.418) 5.721 7.329 ( -0.242 -2.175 -0.704) 2.299 7.446 ( 0.973 1.034 2.001) 2.454 7.469 ( 4.234 0.774 -0.775) 4.374 7.591 ( -1.605 -0.575 0.996) 1.975 7.696 ( 0.104 1.532 -0.659) 1.671 7.830 ( -0.233 2.915 -0.075) 2.925 7.876 ( 0.580 -3.093 -0.023) 3.147 7.959 ( 1.160 -0.178 -0.892) 1.474 7.999 ( 1.524 0.406 1.412) 2.117 8.094 ( -2.840 -2.177 1.196) 3.773 8.118 ( 1.405 -3.584 1.172) 4.024 8.187 ( 0.194 -2.007 -2.551) 3.252 8.285 ( -2.233 1.946 -0.803) 3.069 8.357 ( -2.257 0.229 0.920) 2.448 8.438 ( 2.934 0.059 0.718) 3.021 8.512 ( -0.655 -0.283 -1.146) 1.349 8.562 ( 1.548 -2.298 -1.744) 3.274 8.598 ( -0.570 -0.815 1.812) 2.067 8.759 ( -0.386 0.077 2.322) 2.356 9.016 ( 0.659 3.558 -1.734) 4.013 9.047 ( -1.374 2.697 -3.292) 4.472 9.281 ( 1.348 -2.040 1.999) 3.158 9.324 ( -0.224 -1.249 0.503) 1.365 12.874 ( 0.351 12.351 0.675) 12.375 13.112 ( -8.077 9.530 -2.818) 12.807 14.019 ( 2.144 -5.492 0.569) 5.923 14.305 ( 3.403 -14.299 -1.559) 14.781 16.992 ( 0.563 0.259 -1.673) 1.784 17.004 ( -0.338 1.134 1.517) 1.923 17.056 ( -1.287 1.932 -0.514) 2.377 17.077 ( -0.261 1.899 0.077) 1.919 17.295 ( -1.587 0.982 -2.441) 3.073 17.328 ( -1.092 1.893 -2.303) 3.174 17.476 ( 0.479 1.372 1.617) 2.174 17.551 ( -0.222 1.791 0.103) 1.808 17.721 ( 0.816 -1.738 0.898) 2.119 17.748 ( 0.690 -3.997 0.043) 4.057 17.936 ( 0.381 -4.475 1.412) 4.708 18.034 ( 0.461 0.088 0.123) 0.485 18.078 ( -0.377 -0.609 -1.419) 1.589 18.106 ( -1.783 0.265 1.221) 2.177 18.155 ( 0.353 -1.657 0.372) 1.734 18.228 ( -0.957 -1.073 0.326) 1.474 18.793 ( 0.934 0.664 0.304) 1.186 18.812 ( 1.657 0.863 0.155) 1.874 18.962 ( -2.236 -2.763 -0.411) 3.578 19.222 ( -4.672 -4.406 1.336) 6.559 19.517 ( 3.722 2.305 1.296) 4.565 19.654 ( -0.118 -5.041 -1.282) 5.203 19.686 ( 0.625 -4.658 -0.904) 4.786 19.922 ( -0.253 -4.407 0.661) 4.463 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 4.324 18.912 13.727) 23.765 1.519 ( 11.970 19.162 -2.091) 22.690 1.640 ( 3.275 -0.816 -8.171) 8.840 1.815 ( 0.146 3.220 -10.815) 11.285 1.968 ( -4.684 4.878 -5.477) 8.703 2.037 ( 8.627 11.788 2.422) 14.807 2.076 ( -3.700 2.376 -1.375) 4.607 2.135 ( -3.676 0.222 0.023) 3.683 2.350 ( -12.814 -1.914 1.764) 13.076 2.481 ( 2.350 2.993 8.392) 9.215 2.576 ( 7.265 2.469 1.574) 7.833 2.641 ( 0.494 -1.968 3.560) 4.098 2.791 ( -9.312 -3.572 3.857) 10.693 2.849 ( 1.479 0.325 -1.441) 2.091 2.941 ( 3.966 -0.268 -0.498) 4.006 3.077 ( -0.440 6.658 -1.573) 6.856 3.125 ( 0.558 0.937 2.921) 3.118 3.275 ( 1.645 0.251 -0.143) 1.670 3.416 ( -1.912 4.950 -0.914) 5.384 3.499 ( 2.434 2.533 -1.528) 3.831 3.546 ( 0.056 8.506 1.088) 8.575 3.637 ( -5.907 -3.417 -5.102) 8.520 3.784 ( -2.605 0.347 -0.165) 2.634 3.877 ( 0.325 -4.115 2.182) 4.669 3.953 ( -3.170 -1.062 -2.115) 3.956 4.010 ( -0.185 0.722 -3.168) 3.255 4.048 ( 2.470 -4.505 -4.131) 6.592 4.127 ( -0.897 -7.064 1.931) 7.378 4.253 ( 1.391 3.907 3.325) 5.316 4.296 ( 0.268 -4.141 1.575) 4.439 4.373 ( -2.824 -1.070 -0.163) 3.024 4.413 ( 1.249 -2.810 -3.191) 4.432 4.553 ( -1.097 -1.181 -1.489) 2.194 4.698 ( 3.629 2.414 0.397) 4.377 4.758 ( -0.874 0.679 -0.332) 1.155 4.867 ( -1.900 1.256 1.526) 2.742 5.022 ( -0.525 0.669 -3.756) 3.851 5.219 ( 3.509 4.777 5.988) 8.425 5.397 ( -1.280 -1.291 0.300) 1.842 5.445 ( 1.267 -5.330 -0.702) 5.523 5.572 ( -0.228 0.956 -2.399) 2.593 5.783 ( -1.882 0.727 -1.740) 2.664 5.799 ( 1.484 -7.210 6.849) 10.054 5.905 ( -1.933 -6.492 0.341) 6.782 5.984 ( -0.686 -5.520 -1.649) 5.801 6.082 ( -5.032 0.465 -3.127) 5.942 6.347 ( -6.436 -0.617 -4.455) 7.852 6.377 ( 1.474 -4.368 10.334) 11.315 6.428 ( 1.094 1.196 -1.398) 2.140 6.581 ( 6.032 -5.418 6.917) 10.658 6.761 ( 0.558 2.465 -2.022) 3.236 6.834 ( -0.596 -1.554 -4.245) 4.560 6.878 ( 0.528 -3.128 -2.555) 4.073 6.928 ( -0.406 -2.100 2.153) 3.034 7.073 ( -3.211 -2.623 0.007) 4.146 7.111 ( 0.894 5.460 0.166) 5.536 7.298 ( 4.448 3.651 -0.589) 5.784 7.334 ( 1.122 -2.689 -1.132) 3.126 7.482 ( 0.091 1.595 2.457) 2.931 7.511 ( 0.691 0.742 -0.529) 1.144 7.577 ( -0.918 0.077 1.596) 1.843 7.670 ( -1.037 0.044 -2.658) 2.854 7.813 ( -0.748 3.261 -0.452) 3.376 7.913 ( 2.288 -1.369 0.356) 2.690 7.971 ( 0.036 0.292 0.862) 0.911 7.997 ( -2.184 -2.791 0.412) 3.567 8.095 ( 2.103 2.444 -0.338) 3.242 8.165 ( 1.877 -0.982 0.460) 2.168 8.182 ( 1.098 -1.669 1.148) 2.304 8.230 ( -2.234 1.935 -1.279) 3.220 8.306 ( -3.257 -0.902 -0.407) 3.404 8.469 ( -1.039 0.907 -2.661) 2.997 8.503 ( 1.947 -1.059 1.788) 2.848 8.574 ( -0.536 -1.774 1.404) 2.325 8.623 ( 1.761 -0.756 0.381) 1.954 8.772 ( -0.624 -0.659 1.929) 2.132 8.988 ( -0.698 2.120 -2.362) 3.249 9.017 ( 0.677 3.504 -2.153) 4.168 9.299 ( -0.446 -1.644 0.593) 1.804 9.344 ( 0.944 -2.175 1.132) 2.628 12.876 ( -0.851 12.136 -0.193) 12.168 12.981 ( -2.940 13.277 -0.632) 13.613 14.065 ( 1.760 -6.495 0.263) 6.734 14.315 ( 0.228 -13.518 -2.064) 13.677 16.984 ( 0.229 -0.519 -1.523) 1.625 17.013 ( -0.230 0.099 0.912) 0.946 17.023 ( 0.200 -2.023 -0.861) 2.208 17.103 ( 1.448 -2.033 -0.005) 2.496 17.287 ( 0.863 0.963 1.594) 2.052 17.325 ( -0.708 0.036 4.327) 4.385 17.464 ( -1.305 1.050 -2.018) 2.623 17.575 ( 2.785 1.432 -1.809) 3.616 17.698 ( -1.489 -5.454 -0.929) 5.729 17.757 ( -0.268 -3.070 -0.280) 3.094 17.956 ( -0.310 0.397 0.631) 0.808 17.988 ( -3.722 0.654 0.015) 3.779 18.084 ( 1.447 -1.363 -0.214) 2.000 18.105 ( 0.622 -0.804 0.188) 1.034 18.164 ( 0.156 -0.327 0.278) 0.456 18.211 ( -1.162 -0.825 0.846) 1.657 18.818 ( 1.433 -1.261 -0.197) 1.919 18.856 ( 1.728 -0.482 0.569) 1.882 18.920 ( -0.456 -0.312 -0.050) 0.555 19.122 ( -6.425 -2.014 0.118) 6.734 19.546 ( 0.022 -3.708 -2.930) 4.726 19.655 ( -1.657 -6.512 -0.130) 6.721 19.690 ( 2.788 2.834 1.738) 4.339 19.933 ( 0.050 -0.965 0.817) 1.265 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 16.664 0.000) 16.664 1.584 ( 0.000 3.858 -0.000) 3.858 1.648 ( -0.000 16.470 -0.000) 16.470 1.795 ( 0.000 0.295 -0.000) 0.295 1.898 ( 0.000 13.256 0.000) 13.256 1.956 ( -0.000 4.602 -0.000) 4.602 1.961 ( -0.000 6.621 0.000) 6.621 2.193 ( 0.000 -7.628 0.000) 7.628 2.260 ( 0.000 -7.647 -0.000) 7.647 2.579 ( 0.000 -3.808 0.000) 3.808 2.689 ( 0.000 0.272 -0.000) 0.272 2.714 ( -0.000 -0.963 0.000) 0.963 2.769 ( -0.000 -4.780 0.000) 4.780 2.854 ( -0.000 3.434 -0.000) 3.434 3.001 ( 0.000 7.894 0.000) 7.894 3.062 ( 0.000 5.298 -0.000) 5.298 3.103 ( -0.000 4.109 0.000) 4.109 3.304 ( 0.000 -0.247 0.000) 0.247 3.357 ( 0.000 5.816 0.000) 5.816 3.441 ( 0.000 -1.586 -0.000) 1.586 3.531 ( -0.000 -1.611 0.000) 1.611 3.566 ( -0.000 11.498 -0.000) 11.498 3.818 ( -0.000 -4.913 0.000) 4.913 3.858 ( 0.000 -0.460 -0.000) 0.460 3.892 ( 0.000 -0.678 -0.000) 0.678 3.988 ( 0.000 -0.609 0.000) 0.609 4.105 ( 0.000 -9.860 -0.000) 9.860 4.120 ( -0.000 -3.111 -0.000) 3.111 4.236 ( 0.000 1.144 -0.000) 1.144 4.297 ( -0.000 4.116 0.000) 4.116 4.349 ( 0.000 -1.159 0.000) 1.159 4.435 ( 0.000 -5.321 0.000) 5.321 4.528 ( 0.000 -2.411 0.000) 2.411 4.747 ( 0.000 0.518 -0.000) 0.518 4.760 ( -0.000 1.600 0.000) 1.600 4.839 ( 0.000 5.060 0.000) 5.060 4.997 ( 0.000 -0.814 -0.000) 0.814 5.316 ( 0.000 3.799 0.000) 3.799 5.343 ( 0.000 0.112 0.000) 0.112 5.520 ( 0.000 -5.566 0.000) 5.566 5.521 ( -0.000 2.195 -0.000) 2.195 5.725 ( 0.000 5.361 0.000) 5.361 5.856 ( -0.000 -6.021 -0.000) 6.021 5.906 ( 0.000 -7.055 0.000) 7.055 5.969 ( -0.000 -5.664 -0.000) 5.664 6.018 ( 0.000 -1.002 0.000) 1.002 6.227 ( -0.000 -0.817 0.000) 0.817 6.414 ( -0.000 -1.945 -0.000) 1.945 6.485 ( 0.000 -0.286 0.000) 0.286 6.725 ( -0.000 -5.963 -0.000) 5.963 6.754 ( 0.000 2.165 0.000) 2.165 6.782 ( 0.000 0.342 0.000) 0.342 6.837 ( -0.000 -10.048 -0.000) 10.048 6.961 ( 0.000 0.279 0.000) 0.279 7.002 ( -0.000 -3.593 0.000) 3.593 7.139 ( 0.000 6.142 -0.000) 6.142 7.332 ( -0.000 -3.618 -0.000) 3.618 7.359 ( 0.000 3.686 -0.000) 3.686 7.484 ( -0.000 -0.367 0.000) 0.367 7.514 ( -0.000 2.343 0.000) 2.343 7.583 ( 0.000 0.747 0.000) 0.747 7.635 ( 0.000 -0.281 -0.000) 0.281 7.802 ( -0.000 3.533 -0.000) 3.533 7.940 ( -0.000 -2.471 0.000) 2.471 7.973 ( 0.000 0.713 0.000) 0.713 7.979 ( 0.000 -1.179 -0.000) 1.179 8.122 ( 0.000 3.214 0.000) 3.214 8.183 ( -0.000 2.236 -0.000) 2.236 8.203 ( 0.000 -0.574 0.000) 0.574 8.235 ( -2.468 -2.347 -1.425) 3.692 8.235 ( 2.468 -0.640 1.425) 2.921 8.441 ( 0.000 0.726 0.000) 0.726 8.534 ( -0.000 -1.128 -0.000) 1.128 8.575 ( -0.000 -1.559 0.000) 1.559 8.646 ( -0.000 0.138 -0.000) 0.138 8.775 ( -0.000 -1.060 0.000) 1.060 8.968 ( -0.000 2.118 0.000) 2.118 9.012 ( -0.000 2.947 0.000) 2.947 9.297 ( -0.000 -1.562 0.000) 1.562 9.360 ( 0.000 -2.441 -0.000) 2.441 12.859 ( 0.000 11.735 0.000) 11.735 12.960 ( -0.000 14.012 0.000) 14.012 14.083 ( 0.000 -7.467 0.000) 7.467 14.304 ( -0.000 -11.678 0.000) 11.678 16.978 ( -0.000 -1.091 0.000) 1.091 17.014 ( 0.000 -0.624 0.000) 0.624 17.028 ( 0.000 -4.566 -0.000) 4.566 17.116 ( -0.000 -3.690 0.000) 3.690 17.320 ( -0.000 0.423 0.000) 0.423 17.369 ( 0.000 -0.010 0.000) 0.010 17.407 ( 0.000 1.129 0.000) 1.129 17.595 ( -0.000 -0.282 -0.000) 0.282 17.675 ( 0.000 -5.986 0.000) 5.986 17.753 ( -0.000 -2.136 -0.000) 2.136 17.931 ( -0.000 1.707 0.000) 1.707 17.958 ( 0.000 0.838 -0.000) 0.838 18.106 ( 0.000 -2.137 -0.000) 2.137 18.112 ( -0.000 -1.277 0.000) 1.277 18.167 ( 0.000 0.595 0.000) 0.595 18.204 ( 0.000 0.075 0.000) 0.075 18.841 ( -0.000 -1.858 -0.000) 1.858 18.850 ( -0.000 -2.604 0.000) 2.604 18.988 ( -0.000 1.244 0.000) 1.244 19.000 ( 0.000 0.089 0.000) 0.089 19.525 ( 0.000 -3.966 -0.000) 3.966 19.627 ( -0.000 -8.292 0.000) 8.292 19.744 ( 0.000 5.888 0.000) 5.888 19.934 ( -0.000 0.063 -0.000) 0.063 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 22.033 0.000) 22.033 1.713 ( 0.000 3.552 0.000) 3.552 1.880 ( 0.000 8.730 0.000) 8.730 1.899 ( 0.000 25.670 0.000) 25.670 2.042 ( 0.000 -0.869 0.000) 0.869 2.097 ( 0.000 9.921 0.000) 9.921 2.230 ( 0.000 4.219 0.000) 4.219 2.241 ( 0.000 -4.942 0.000) 4.942 2.530 ( 0.000 4.961 0.000) 4.961 2.584 ( 0.000 -7.615 0.000) 7.615 2.723 ( 0.000 4.658 0.000) 4.658 2.831 ( 0.000 -1.127 0.000) 1.127 2.918 ( 0.000 0.087 0.000) 0.087 2.987 ( 0.000 0.451 0.000) 0.451 3.004 ( 0.000 8.116 0.000) 8.116 3.095 ( 0.000 -5.463 0.000) 5.463 3.129 ( 0.000 3.877 0.000) 3.877 3.289 ( 0.000 7.197 0.000) 7.197 3.310 ( 0.000 8.166 0.000) 8.166 3.428 ( 0.000 0.607 0.000) 0.607 3.568 ( 0.000 -6.644 0.000) 6.644 3.575 ( 0.000 -7.938 0.000) 7.938 3.780 ( 0.000 -1.298 0.000) 1.298 3.888 ( 0.000 -8.633 0.000) 8.633 3.946 ( 0.000 1.474 0.000) 1.474 3.996 ( 0.000 -0.324 0.000) 0.324 4.056 ( 0.000 3.446 0.000) 3.446 4.115 ( 0.000 2.374 0.000) 2.374 4.267 ( 0.000 -0.505 0.000) 0.505 4.285 ( 0.000 -2.071 0.000) 2.071 4.346 ( 0.000 -2.291 0.000) 2.291 4.388 ( 0.000 -5.451 0.000) 5.451 4.503 ( 0.000 -1.957 0.000) 1.957 4.607 ( 0.000 4.700 0.000) 4.700 4.814 ( 0.000 -4.124 0.000) 4.124 4.871 ( 0.000 -2.797 0.000) 2.797 5.152 ( 0.000 6.316 0.000) 6.316 5.160 ( 0.000 -2.575 0.000) 2.575 5.173 ( 0.000 0.593 0.000) 0.593 5.416 ( 0.000 -3.233 0.000) 3.233 5.476 ( 0.000 -5.116 0.000) 5.116 5.697 ( 0.000 -9.112 0.000) 9.112 5.773 ( 0.000 -1.868 0.000) 1.868 5.833 ( 0.000 -4.695 0.000) 4.695 5.859 ( 0.000 -3.167 0.000) 3.167 6.002 ( 0.000 -1.221 0.000) 1.221 6.102 ( 0.000 -6.391 0.000) 6.391 6.172 ( 0.000 -8.415 0.000) 8.415 6.618 ( 0.000 2.128 0.000) 2.128 6.686 ( 0.000 0.610 0.000) 0.610 6.794 ( 0.000 1.941 0.000) 1.941 6.923 ( 0.000 5.067 0.000) 5.067 6.942 ( 0.000 -0.833 0.000) 0.833 6.968 ( 0.000 5.297 0.000) 5.297 7.048 ( 0.000 1.611 0.000) 1.611 7.166 ( 0.000 4.798 0.000) 4.798 7.281 ( 0.000 -3.292 0.000) 3.292 7.317 ( 0.000 1.810 0.000) 1.810 7.460 ( 0.000 3.054 0.000) 3.054 7.488 ( 0.000 2.590 0.000) 2.590 7.569 ( 0.000 -1.818 0.000) 1.818 7.703 ( 0.000 -2.064 0.000) 2.064 7.816 ( 0.000 -2.334 0.000) 2.334 7.857 ( 0.000 1.371 0.000) 1.371 7.919 ( 0.000 -1.652 0.000) 1.652 7.989 ( 0.000 -0.185 0.000) 0.185 8.003 ( 0.000 -3.474 0.000) 3.474 8.070 ( 0.000 -3.638 0.000) 3.638 8.168 ( 0.000 0.878 0.000) 0.878 8.348 ( 0.000 1.624 0.000) 1.624 8.393 ( 0.000 0.662 0.000) 0.662 8.403 ( 0.000 -1.343 0.000) 1.343 8.478 ( 0.000 -1.023 0.000) 1.023 8.517 ( 0.000 -1.605 0.000) 1.605 8.632 ( 0.000 2.416 0.000) 2.416 8.749 ( 0.000 -0.493 0.000) 0.493 9.088 ( 0.000 2.581 0.000) 2.581 9.143 ( 0.000 3.127 0.000) 3.127 9.207 ( 0.000 -1.986 0.000) 1.986 9.297 ( 0.000 -1.658 0.000) 1.658 13.142 ( 0.000 14.455 0.000) 14.455 13.336 ( 0.000 6.021 0.000) 6.021 13.854 ( 0.000 -8.076 0.000) 8.076 14.013 ( 0.000 -12.737 0.000) 12.737 16.996 ( 0.000 -0.238 0.000) 0.238 17.011 ( 0.000 -0.548 0.000) 0.548 17.125 ( 0.000 5.182 0.000) 5.182 17.189 ( 0.000 5.334 0.000) 5.334 17.415 ( 0.000 2.445 0.000) 2.445 17.449 ( 0.000 1.775 0.000) 1.775 17.469 ( 0.000 1.548 0.000) 1.548 17.540 ( 0.000 -2.335 0.000) 2.335 17.630 ( 0.000 -5.339 0.000) 5.339 17.676 ( 0.000 -2.481 0.000) 2.481 17.837 ( 0.000 -0.195 0.000) 0.195 17.987 ( 0.000 -1.441 0.000) 1.441 18.108 ( 0.000 0.263 0.000) 0.263 18.123 ( 0.000 -0.660 0.000) 0.660 18.134 ( 0.000 1.089 0.000) 1.089 18.220 ( 0.000 -0.802 0.000) 0.802 18.797 ( 0.000 0.149 0.000) 0.149 18.819 ( 0.000 1.572 0.000) 1.572 18.929 ( 0.000 -2.464 0.000) 2.464 19.128 ( 0.000 -6.786 0.000) 6.786 19.502 ( 0.000 -2.952 0.000) 2.952 19.577 ( 0.000 0.849 0.000) 0.849 19.580 ( 0.000 -5.288 0.000) 5.288 19.815 ( 0.000 -4.224 0.000) 4.224 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 9.054 18.399 8.515) 22.204 1.601 ( -3.626 -0.667 -6.699) 7.646 1.855 ( -4.976 21.103 10.716) 24.185 2.001 ( -1.357 -1.639 3.914) 4.455 2.024 ( 0.585 3.717 -1.221) 3.956 2.123 ( 1.436 8.172 -7.780) 11.374 2.251 ( 2.424 4.190 -2.544) 5.468 2.271 ( 3.446 9.013 3.717) 10.341 2.399 ( -0.721 0.516 -6.360) 6.422 2.621 ( -0.795 -0.757 2.090) 2.361 2.669 ( -10.455 -2.173 -1.824) 10.833 2.711 ( -3.704 0.573 -0.895) 3.854 2.849 ( -10.444 5.614 -1.596) 11.964 2.860 ( -2.608 -3.593 -5.989) 7.455 2.931 ( -2.630 1.266 0.879) 3.048 3.119 ( -4.312 3.831 1.095) 5.871 3.152 ( 3.762 -0.659 2.640) 4.644 3.299 ( 7.104 8.193 0.884) 10.880 3.431 ( -0.539 0.289 5.289) 5.324 3.467 ( 3.007 3.218 0.585) 4.443 3.591 ( 0.187 -8.780 2.334) 9.087 3.652 ( 7.445 -1.807 -0.887) 7.713 3.774 ( 3.185 -0.643 -5.717) 6.575 3.876 ( -5.854 -2.003 0.414) 6.201 3.964 ( 0.535 -2.149 3.369) 4.032 3.987 ( -0.243 1.181 -0.440) 1.283 4.034 ( 0.484 -0.981 -0.148) 1.104 4.115 ( 0.304 4.368 -3.454) 5.577 4.215 ( -0.552 0.568 -2.485) 2.608 4.243 ( -3.909 -0.458 1.233) 4.125 4.329 ( 0.122 -7.113 -1.871) 7.356 4.422 ( 2.098 -3.151 -3.983) 5.494 4.550 ( 1.772 -1.943 1.139) 2.866 4.621 ( 2.140 3.674 2.081) 4.734 4.790 ( -1.888 -2.866 -0.337) 3.449 4.858 ( -0.803 -1.654 0.652) 1.950 5.120 ( -0.348 2.928 -4.336) 5.243 5.197 ( 3.849 2.119 0.368) 4.409 5.229 ( 2.767 -2.602 3.485) 5.155 5.438 ( -2.250 -6.571 -4.356) 8.198 5.507 ( 3.064 -2.707 5.888) 7.168 5.586 ( -2.122 -5.052 -0.230) 5.484 5.736 ( -0.339 -3.158 -2.514) 4.051 5.871 ( -1.001 -2.291 4.748) 5.366 5.957 ( -1.341 -2.353 -3.343) 4.303 6.068 ( 5.255 -5.095 12.291) 14.305 6.162 ( -0.827 -4.124 2.262) 4.776 6.188 ( 3.411 -7.688 9.205) 12.469 6.499 ( -4.286 1.586 -8.531) 9.678 6.654 ( -2.923 4.095 -6.056) 7.874 6.787 ( -1.005 -0.964 0.254) 1.416 6.890 ( -2.626 -2.280 -1.348) 3.730 6.899 ( 0.666 3.284 -4.926) 5.958 6.956 ( -0.584 5.867 -2.929) 6.583 7.061 ( -0.416 -0.349 1.934) 2.008 7.168 ( -1.015 3.689 3.260) 5.027 7.262 ( -0.775 -3.061 -0.154) 3.161 7.356 ( 4.039 2.509 -4.322) 6.425 7.477 ( 1.540 0.829 -2.124) 2.752 7.500 ( 1.528 3.008 3.308) 4.725 7.574 ( -0.268 -1.049 0.299) 1.123 7.698 ( -0.559 -1.182 -0.382) 1.362 7.816 ( 0.084 -1.952 1.930) 2.747 7.885 ( 0.953 2.232 0.281) 2.443 7.937 ( 0.865 -2.558 0.899) 2.846 7.985 ( -1.840 -1.852 1.141) 2.849 8.042 ( 3.269 -2.133 1.279) 4.107 8.078 ( 1.907 -0.589 1.528) 2.514 8.174 ( 1.312 1.322 -1.958) 2.703 8.327 ( -2.311 1.915 0.365) 3.024 8.361 ( -2.453 0.206 -0.939) 2.635 8.417 ( 1.065 -2.278 0.815) 2.644 8.499 ( 0.939 -0.913 0.907) 1.593 8.519 ( 0.863 -1.528 -0.639) 1.868 8.617 ( -0.943 2.298 -0.499) 2.534 8.752 ( -0.595 -0.863 1.256) 1.635 9.074 ( -0.611 2.508 -1.497) 2.984 9.117 ( -0.336 3.626 -2.515) 4.426 9.236 ( 0.988 -2.373 1.825) 3.153 9.292 ( -0.346 -1.858 -0.131) 1.894 13.153 ( 0.335 14.396 0.586) 14.412 13.290 ( -3.145 8.610 -0.944) 9.214 13.870 ( 1.105 -8.935 0.111) 9.004 14.029 ( 1.466 -13.028 -0.063) 13.111 16.989 ( -0.161 -0.288 -0.848) 0.910 17.009 ( -0.242 -0.577 0.139) 0.641 17.108 ( -2.459 3.454 0.248) 4.247 17.137 ( -5.077 3.463 -2.175) 6.519 17.321 ( -3.272 1.084 0.328) 3.462 17.362 ( -4.111 0.850 -0.868) 4.287 17.507 ( 0.226 1.225 0.174) 1.258 17.569 ( 0.264 -0.758 2.332) 2.467 17.626 ( 0.691 -3.715 -2.126) 4.336 17.679 ( 0.587 -4.168 -1.133) 4.359 17.909 ( 4.192 1.665 2.762) 5.289 18.028 ( 2.421 -0.756 -0.150) 2.541 18.081 ( -2.036 0.700 -1.584) 2.673 18.113 ( -1.459 0.317 0.549) 1.591 18.135 ( 0.754 -0.270 0.829) 1.152 18.209 ( -0.607 -0.937 -0.363) 1.173 18.785 ( -0.944 -0.742 0.498) 1.300 18.831 ( 0.503 0.193 -0.237) 0.589 18.914 ( -0.583 -1.412 -0.534) 1.618 19.112 ( -1.859 -5.763 0.410) 6.069 19.483 ( -0.444 -5.037 -3.201) 5.985 19.566 ( -1.695 -6.235 -0.365) 6.472 19.641 ( 4.747 3.234 2.844) 6.410 19.851 ( 2.533 -2.679 1.877) 4.137 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 1.186 -4.357 -5.177) 6.870 1.674 ( 3.731 15.708 13.253) 20.887 1.856 ( -5.019 -5.161 4.822) 8.665 1.946 ( -1.282 6.087 -10.957) 12.599 2.001 ( -2.579 5.141 4.596) 7.362 2.053 ( 4.695 10.632 -5.412) 12.821 2.170 ( -4.769 2.372 -5.757) 7.843 2.266 ( -8.618 0.971 -3.392) 9.312 2.453 ( 2.835 12.085 1.609) 12.517 2.529 ( -0.360 2.674 3.876) 4.723 2.630 ( -3.982 -5.645 1.525) 7.074 2.654 ( -1.714 5.848 0.160) 6.096 2.722 ( -2.636 2.823 1.244) 4.058 2.804 ( 5.430 0.106 2.103) 5.824 2.939 ( 2.103 0.953 2.343) 3.290 3.122 ( 2.382 -2.586 2.967) 4.601 3.198 ( 0.452 1.594 -0.064) 1.658 3.394 ( -1.217 6.554 -4.279) 7.922 3.416 ( -0.087 -5.936 4.498) 7.448 3.522 ( 0.104 6.189 -2.594) 6.711 3.596 ( -1.729 -4.781 -0.358) 5.097 3.712 ( -7.676 1.543 0.785) 7.868 3.771 ( 4.231 2.421 1.638) 5.143 3.798 ( 4.963 -0.927 -6.219) 8.010 3.957 ( -3.149 -2.437 3.884) 5.563 3.967 ( -0.594 1.657 -2.168) 2.792 4.044 ( -1.902 2.910 -4.974) 6.068 4.086 ( 0.993 3.996 -0.707) 4.178 4.196 ( 0.248 -5.243 2.142) 5.669 4.255 ( 3.165 -3.895 0.129) 5.021 4.320 ( 1.165 -5.851 -1.787) 6.228 4.371 ( -2.788 -1.284 -3.574) 4.712 4.556 ( -0.333 1.523 -0.947) 1.824 4.710 ( 3.038 -0.446 1.119) 3.268 4.756 ( -0.726 -1.064 0.229) 1.308 4.875 ( -0.069 -0.084 4.042) 4.043 5.057 ( -0.737 2.766 -5.647) 6.331 5.291 ( 4.310 0.054 0.961) 4.417 5.331 ( 2.988 -2.479 2.512) 4.624 5.354 ( 0.382 -3.540 -1.553) 3.885 5.551 ( -1.734 -3.677 -1.030) 4.194 5.638 ( 1.998 -7.455 4.953) 9.170 5.737 ( 1.557 -2.015 0.697) 2.641 5.843 ( -3.887 -2.287 0.604) 4.550 5.921 ( -0.810 0.334 0.587) 1.055 6.125 ( -3.697 3.431 -0.886) 5.121 6.239 ( 0.217 -6.735 11.690) 13.494 6.359 ( -1.722 0.256 -2.720) 3.230 6.417 ( 5.108 -4.286 7.941) 10.369 6.538 ( 1.362 2.805 -5.059) 5.943 6.720 ( -3.018 -5.316 -6.917) 9.231 6.808 ( -2.186 1.043 -2.623) 3.570 6.865 ( -1.765 -1.035 -1.832) 2.746 6.928 ( 0.111 1.721 -1.489) 2.278 7.023 ( -2.971 -1.802 -2.273) 4.153 7.194 ( 1.255 1.836 2.728) 3.520 7.282 ( 0.822 -1.166 0.270) 1.452 7.380 ( 3.543 2.684 -2.747) 5.225 7.489 ( 0.106 -0.355 -1.168) 1.225 7.538 ( 0.606 0.086 0.045) 0.614 7.590 ( 0.480 2.421 3.122) 3.980 7.672 ( -1.263 0.737 -1.018) 1.782 7.843 ( 0.192 -0.907 1.113) 1.448 7.880 ( -1.084 -1.396 -0.476) 1.830 7.956 ( 0.938 -0.870 1.350) 1.860 7.977 ( 0.736 -0.080 -0.229) 0.775 8.132 ( 3.576 -1.009 1.346) 3.952 8.156 ( 2.909 1.261 2.154) 3.833 8.179 ( 1.350 2.554 -1.267) 3.154 8.274 ( -3.454 1.815 0.398) 3.922 8.294 ( -2.863 -0.004 -1.490) 3.227 8.457 ( 1.200 -3.184 2.168) 4.034 8.491 ( -0.847 0.848 -1.198) 1.695 8.547 ( 0.727 -1.164 0.164) 1.383 8.613 ( 1.267 0.296 0.570) 1.421 8.745 ( -1.367 -1.839 0.931) 2.474 9.045 ( -0.509 3.380 -1.374) 3.684 9.091 ( 0.022 3.631 -2.117) 4.203 9.258 ( -0.152 -2.446 0.657) 2.537 9.292 ( 0.396 -2.850 0.348) 2.898 13.138 ( -1.665 12.820 -0.884) 12.958 13.253 ( -0.337 13.521 0.764) 13.546 13.880 ( 0.153 -11.199 -0.769) 11.227 14.061 ( 1.518 -11.522 0.535) 11.634 16.972 ( -0.239 -0.448 -1.955) 2.020 16.992 ( -4.133 -0.983 -1.804) 4.616 17.008 ( -0.647 -0.555 -0.066) 0.855 17.060 ( -2.283 -2.159 -0.818) 3.247 17.318 ( -0.588 1.704 4.226) 4.595 17.336 ( -1.617 0.907 5.539) 5.841 17.485 ( -0.726 0.962 -2.790) 3.039 17.567 ( -1.652 -3.097 0.443) 3.538 17.626 ( 2.216 0.062 -4.237) 4.782 17.688 ( 1.175 -2.969 -0.026) 3.194 17.975 ( 0.278 1.139 -0.298) 1.210 17.995 ( -3.398 0.111 -0.131) 3.402 18.068 ( 1.393 -0.198 -1.404) 1.988 18.093 ( -0.383 -0.681 -0.346) 0.854 18.174 ( 1.709 1.112 1.296) 2.415 18.208 ( 0.034 0.198 1.219) 1.235 18.779 ( -0.136 -2.231 0.342) 2.261 18.815 ( -1.370 -2.711 -0.364) 3.059 18.929 ( 2.354 0.794 0.224) 2.495 19.064 ( -3.342 -3.330 0.061) 4.718 19.441 ( 0.354 -5.177 -3.752) 6.404 19.506 ( -3.377 -6.949 -0.663) 7.755 19.778 ( 4.975 4.345 3.589) 7.518 19.919 ( 1.860 -0.564 1.486) 2.447 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.000 -5.844 0.000) 5.844 1.760 ( 0.000 0.301 0.000) 0.301 1.832 ( 0.000 -0.796 0.000) 0.796 1.865 ( -0.000 8.543 -0.000) 8.543 1.973 ( 0.000 5.382 -0.000) 5.382 2.053 ( 0.000 -0.984 0.000) 0.984 2.144 ( 0.000 2.320 -0.000) 2.320 2.162 ( -0.000 16.390 0.000) 16.390 2.418 ( -0.000 18.682 0.000) 18.682 2.535 ( 0.000 1.204 -0.000) 1.204 2.596 ( 0.000 -7.944 -0.000) 7.944 2.680 ( -0.000 -1.648 -0.000) 1.648 2.713 ( -0.000 -0.231 0.000) 0.231 2.882 ( -0.000 -0.393 0.000) 0.393 3.137 ( -0.000 4.959 -0.000) 4.959 3.182 ( 0.000 -0.268 -0.000) 0.268 3.218 ( -0.000 -5.112 -0.000) 5.112 3.223 ( 0.000 8.732 0.000) 8.732 3.448 ( 0.000 -3.471 0.000) 3.471 3.478 ( 0.000 3.829 -0.000) 3.829 3.506 ( 0.000 2.036 -0.000) 2.036 3.689 ( -0.000 -3.029 0.000) 3.029 3.809 ( 0.000 -4.403 -0.000) 4.403 3.834 ( -0.000 11.407 0.000) 11.407 3.947 ( 0.000 0.595 -0.000) 0.595 3.948 ( -0.000 -2.191 0.000) 2.191 3.974 ( 0.000 3.646 0.000) 3.646 4.094 ( 0.000 1.197 -0.000) 1.197 4.250 ( 0.000 -5.252 0.000) 5.252 4.270 ( -0.000 0.678 -0.000) 0.678 4.307 ( 0.000 -6.242 0.000) 6.242 4.326 ( -0.000 -5.267 -0.000) 5.267 4.545 ( 0.000 3.887 0.000) 3.887 4.720 ( 0.000 -3.224 -0.000) 3.224 4.780 ( 0.000 0.471 0.000) 0.471 4.906 ( -0.000 1.139 0.000) 1.139 5.007 ( 0.000 2.589 -0.000) 2.589 5.320 ( 0.000 -2.309 0.000) 2.309 5.355 ( 0.000 -1.285 0.000) 1.285 5.438 ( 0.000 -0.600 -0.000) 0.600 5.494 ( 0.000 -5.079 -0.000) 5.079 5.677 ( -0.000 -8.190 0.000) 8.190 5.781 ( 0.000 -4.504 0.000) 4.504 5.790 ( -0.000 -1.605 -0.000) 1.605 5.926 ( -0.000 3.360 -0.000) 3.360 6.045 ( 0.000 3.702 0.000) 3.702 6.297 ( 0.000 6.027 0.000) 6.027 6.345 ( -0.000 -4.892 -0.000) 4.892 6.480 ( -0.000 -0.029 -0.000) 0.029 6.582 ( 0.000 -8.182 -0.000) 8.182 6.676 ( 0.000 -4.820 0.000) 4.820 6.771 ( 0.000 -1.017 0.000) 1.017 6.788 ( -0.000 0.474 -0.000) 0.474 6.922 ( -0.000 -4.009 -0.000) 4.009 6.977 ( 0.000 1.936 0.000) 1.936 7.249 ( 0.000 -4.379 0.000) 4.379 7.260 ( -0.000 5.036 -0.000) 5.036 7.440 ( -0.000 3.201 -0.000) 3.201 7.450 ( 0.000 -2.433 0.000) 2.433 7.547 ( 0.000 0.016 0.000) 0.016 7.618 ( -0.000 2.994 0.000) 2.994 7.645 ( 0.000 2.162 -0.000) 2.162 7.847 ( 0.000 0.463 0.000) 0.463 7.863 ( 0.000 -3.275 -0.000) 3.275 7.984 ( -0.000 0.313 0.000) 0.313 7.985 ( 0.000 0.162 -0.000) 0.162 8.169 ( -0.000 -0.563 -0.000) 0.563 8.201 ( -0.000 0.369 -0.000) 0.369 8.217 ( 0.000 0.413 0.000) 0.413 8.221 ( -0.000 4.320 -0.000) 4.320 8.243 ( 0.000 0.834 0.000) 0.834 8.470 ( 0.000 1.998 0.000) 1.998 8.485 ( -0.000 -3.513 -0.000) 3.513 8.549 ( -0.000 -0.903 0.000) 0.903 8.644 ( 0.000 -0.313 -0.000) 0.313 8.729 ( -0.000 -2.975 0.000) 2.975 9.033 ( -0.000 3.922 0.000) 3.922 9.080 ( -0.000 3.514 0.000) 3.514 9.257 ( 0.000 -2.346 0.000) 2.346 9.300 ( 0.000 -3.371 -0.000) 3.371 13.112 ( 0.000 12.513 0.000) 12.513 13.259 ( 0.000 14.963 0.000) 14.963 13.873 ( 0.000 -12.147 0.000) 12.147 14.082 ( -0.000 -10.503 0.000) 10.503 16.940 ( -0.000 -3.158 0.000) 3.158 16.954 ( 0.000 -1.115 -0.000) 1.115 17.005 ( 0.000 -0.855 -0.000) 0.855 17.035 ( -0.000 -3.884 0.000) 3.884 17.340 ( -0.000 1.267 0.000) 1.267 17.373 ( 0.000 0.336 0.000) 0.336 17.443 ( 0.000 2.240 0.000) 2.240 17.549 ( 0.000 -3.253 -0.000) 3.253 17.622 ( 0.000 0.469 -0.000) 0.469 17.706 ( 0.000 -2.270 0.000) 2.270 17.957 ( -0.000 0.578 0.000) 0.578 17.960 ( 0.000 -0.464 -0.000) 0.464 18.080 ( 0.000 -0.438 -0.000) 0.438 18.088 ( -0.000 -0.926 0.000) 0.926 18.201 ( 0.000 1.937 0.000) 1.937 18.218 ( 0.000 1.066 -0.000) 1.066 18.783 ( -0.000 -3.326 0.000) 3.326 18.794 ( 0.000 -2.557 -0.000) 2.557 18.992 ( 0.000 -0.579 0.000) 0.579 18.994 ( -0.000 -0.599 -0.000) 0.599 19.431 ( -0.000 -4.652 0.000) 4.652 19.459 ( 0.000 -7.334 0.000) 7.334 19.856 ( 0.000 4.520 0.000) 4.520 19.939 ( -0.000 0.382 -0.000) 0.382 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 16.247 0.000) 16.247 1.815 ( 0.000 7.332 0.000) 7.332 1.875 ( 0.000 -4.387 0.000) 4.387 1.973 ( 0.000 -3.446 0.000) 3.446 2.098 ( 0.000 -4.960 0.000) 4.960 2.180 ( 0.000 -8.658 0.000) 8.658 2.387 ( 0.000 18.000 0.000) 18.000 2.509 ( 0.000 7.462 0.000) 7.462 2.518 ( 0.000 17.596 0.000) 17.596 2.585 ( 0.000 -0.947 0.000) 0.947 2.748 ( 0.000 -6.036 0.000) 6.036 2.785 ( 0.000 -1.074 0.000) 1.074 2.904 ( 0.000 -10.769 0.000) 10.769 2.941 ( 0.000 4.191 0.000) 4.191 2.958 ( 0.000 -7.846 0.000) 7.846 3.116 ( 0.000 -1.359 0.000) 1.359 3.148 ( 0.000 4.509 0.000) 4.509 3.252 ( 0.000 -7.897 0.000) 7.897 3.469 ( 0.000 7.000 0.000) 7.000 3.527 ( 0.000 6.674 0.000) 6.674 3.546 ( 0.000 2.529 0.000) 2.529 3.653 ( 0.000 16.936 0.000) 16.936 3.695 ( 0.000 -3.456 0.000) 3.456 3.706 ( 0.000 -8.845 0.000) 8.845 3.817 ( 0.000 -10.646 0.000) 10.646 3.975 ( 0.000 -10.604 0.000) 10.604 4.120 ( 0.000 1.312 0.000) 1.312 4.165 ( 0.000 1.456 0.000) 1.456 4.236 ( 0.000 3.426 0.000) 3.426 4.278 ( 0.000 3.675 0.000) 3.675 4.307 ( 0.000 -3.197 0.000) 3.197 4.365 ( 0.000 -1.725 0.000) 1.725 4.525 ( 0.000 5.748 0.000) 5.748 4.685 ( 0.000 -7.966 0.000) 7.966 4.708 ( 0.000 4.893 0.000) 4.893 4.800 ( 0.000 -3.997 0.000) 3.997 5.134 ( 0.000 0.146 0.000) 0.146 5.159 ( 0.000 -1.647 0.000) 1.647 5.309 ( 0.000 8.720 0.000) 8.720 5.368 ( 0.000 -0.818 0.000) 0.818 5.390 ( 0.000 -2.812 0.000) 2.812 5.501 ( 0.000 -9.673 0.000) 9.673 5.756 ( 0.000 -0.333 0.000) 0.333 5.769 ( 0.000 -1.771 0.000) 1.771 5.852 ( 0.000 3.212 0.000) 3.212 5.964 ( 0.000 -6.741 0.000) 6.741 5.992 ( 0.000 0.493 0.000) 0.493 6.038 ( 0.000 -4.342 0.000) 4.342 6.661 ( 0.000 1.896 0.000) 1.896 6.688 ( 0.000 -0.585 0.000) 0.585 6.848 ( 0.000 2.961 0.000) 2.961 6.904 ( 0.000 -2.357 0.000) 2.357 7.001 ( 0.000 1.714 0.000) 1.714 7.009 ( 0.000 0.379 0.000) 0.379 7.130 ( 0.000 4.756 0.000) 4.756 7.212 ( 0.000 -3.245 0.000) 3.245 7.271 ( 0.000 4.535 0.000) 4.535 7.331 ( 0.000 -0.916 0.000) 0.916 7.516 ( 0.000 0.424 0.000) 0.424 7.525 ( 0.000 1.004 0.000) 1.004 7.544 ( 0.000 1.829 0.000) 1.829 7.630 ( 0.000 -4.494 0.000) 4.494 7.803 ( 0.000 1.175 0.000) 1.175 7.852 ( 0.000 -2.796 0.000) 2.796 7.910 ( 0.000 2.227 0.000) 2.227 7.965 ( 0.000 -0.070 0.000) 0.070 7.966 ( 0.000 -2.035 0.000) 2.035 7.994 ( 0.000 -3.119 0.000) 3.119 8.233 ( 0.000 4.685 0.000) 4.685 8.328 ( 0.000 -3.969 0.000) 3.969 8.392 ( 0.000 0.838 0.000) 0.838 8.401 ( 0.000 0.047 0.000) 0.047 8.474 ( 0.000 0.520 0.000) 0.520 8.492 ( 0.000 -1.038 0.000) 1.038 8.685 ( 0.000 2.488 0.000) 2.488 8.728 ( 0.000 -1.609 0.000) 1.609 9.131 ( 0.000 1.812 0.000) 1.812 9.167 ( 0.000 -1.841 0.000) 1.841 9.206 ( 0.000 2.863 0.000) 2.863 9.258 ( 0.000 -2.199 0.000) 2.199 13.444 ( 0.000 14.730 0.000) 14.730 13.486 ( 0.000 8.439 0.000) 8.439 13.672 ( 0.000 -9.393 0.000) 9.393 13.739 ( 0.000 -13.917 0.000) 13.917 16.992 ( 0.000 0.010 0.000) 0.010 16.998 ( 0.000 -0.523 0.000) 0.523 17.249 ( 0.000 6.569 0.000) 6.569 17.307 ( 0.000 5.332 0.000) 5.332 17.401 ( 0.000 -5.052 0.000) 5.052 17.444 ( 0.000 -4.226 0.000) 4.226 17.458 ( 0.000 1.665 0.000) 1.665 17.497 ( 0.000 -1.957 0.000) 1.957 17.591 ( 0.000 0.918 0.000) 0.918 17.616 ( 0.000 -1.667 0.000) 1.667 17.886 ( 0.000 3.251 0.000) 3.251 17.946 ( 0.000 -2.540 0.000) 2.540 18.111 ( 0.000 0.111 0.000) 0.111 18.115 ( 0.000 -0.259 0.000) 0.259 18.165 ( 0.000 1.770 0.000) 1.770 18.198 ( 0.000 -1.370 0.000) 1.370 18.808 ( 0.000 1.034 0.000) 1.034 18.833 ( 0.000 -0.783 0.000) 0.783 18.913 ( 0.000 1.915 0.000) 1.915 18.997 ( 0.000 -5.642 0.000) 5.642 19.434 ( 0.000 -1.193 0.000) 1.193 19.469 ( 0.000 -4.320 0.000) 4.320 19.654 ( 0.000 4.408 0.000) 4.408 19.739 ( 0.000 -3.741 0.000) 3.741 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -8.206 5.404 -1.213) 9.900 1.753 ( -1.723 4.057 4.116) 6.031 1.847 ( -4.426 1.836 5.538) 7.323 2.012 ( 2.702 -2.972 2.492) 4.727 2.196 ( 4.485 -0.083 2.062) 4.937 2.235 ( -1.301 2.130 -2.676) 3.659 2.262 ( -2.926 3.685 0.925) 4.796 2.384 ( -7.763 0.303 -4.288) 8.873 2.561 ( -4.167 2.524 -4.343) 6.527 2.584 ( -0.187 3.131 -3.279) 4.537 2.690 ( -2.547 4.113 -7.861) 9.231 2.708 ( 6.259 9.465 6.525) 13.089 2.853 ( -1.095 -0.925 0.535) 1.530 2.945 ( -4.206 0.876 -0.332) 4.309 3.043 ( -5.356 4.244 -0.535) 6.854 3.050 ( -3.438 -1.477 1.345) 3.977 3.129 ( 3.851 -11.244 5.387) 13.049 3.175 ( -4.208 -6.517 -2.613) 8.185 3.481 ( 0.697 3.142 3.121) 4.482 3.520 ( -0.352 1.325 -3.046) 3.340 3.627 ( 3.634 0.126 0.642) 3.693 3.654 ( 0.982 1.302 -0.356) 1.669 3.741 ( 2.208 7.949 5.886) 10.135 3.796 ( 7.153 0.074 -3.116) 7.802 3.899 ( 7.420 -6.460 2.166) 10.074 4.007 ( 2.437 -7.759 0.526) 8.149 4.096 ( -5.137 3.196 -1.844) 6.325 4.139 ( 2.288 0.263 -3.984) 4.601 4.204 ( -5.050 -0.048 -2.859) 5.803 4.231 ( -1.889 -0.659 0.343) 2.030 4.261 ( -1.022 3.368 -2.368) 4.242 4.354 ( 0.114 -4.132 -2.940) 5.072 4.552 ( 2.279 3.883 -0.841) 4.581 4.682 ( -0.017 -6.799 -1.028) 6.876 4.726 ( 0.941 5.081 2.502) 5.742 4.814 ( 0.528 -3.058 1.914) 3.646 5.160 ( 2.078 0.916 -1.020) 2.490 5.185 ( 1.552 -1.124 0.297) 1.939 5.255 ( 0.216 3.302 -1.351) 3.574 5.330 ( -2.383 -3.934 -3.764) 5.943 5.452 ( 2.451 -1.193 3.474) 4.416 5.489 ( 0.005 -4.333 -0.337) 4.346 5.746 ( 0.790 3.571 -0.926) 3.773 5.824 ( 0.549 -3.047 3.577) 4.731 5.930 ( -0.678 0.240 2.520) 2.620 5.977 ( 0.737 -3.892 9.318) 10.125 6.070 ( 4.350 -2.226 6.416) 8.065 6.085 ( 3.332 -3.141 7.015) 8.378 6.569 ( -3.220 4.479 -9.082) 10.626 6.657 ( -1.459 -3.404 -6.930) 7.857 6.802 ( -3.658 2.253 -0.495) 4.325 6.845 ( -4.129 -1.975 0.800) 4.646 6.967 ( -0.600 3.231 -4.893) 5.894 7.028 ( -0.545 -2.483 -1.885) 3.165 7.080 ( -1.929 5.734 -3.229) 6.858 7.181 ( -2.321 -3.986 -1.382) 4.815 7.275 ( 0.534 4.910 2.654) 5.607 7.355 ( 2.305 -2.312 -0.428) 3.293 7.493 ( 1.457 0.977 -4.044) 4.408 7.524 ( -0.015 -1.764 -1.961) 2.638 7.591 ( 2.277 3.573 3.005) 5.194 7.659 ( 1.087 -2.664 1.999) 3.503 7.805 ( -0.734 1.182 2.837) 3.160 7.860 ( -1.872 -3.774 2.832) 5.076 7.930 ( 1.075 1.709 0.159) 2.025 7.955 ( 0.362 -1.024 -0.661) 1.272 8.023 ( 4.424 0.308 1.685) 4.744 8.051 ( 4.358 -1.885 2.303) 5.277 8.244 ( 1.017 4.736 -0.252) 4.851 8.337 ( -0.115 -3.233 0.066) 3.236 8.362 ( -1.865 0.242 -1.569) 2.449 8.369 ( -1.607 -0.442 -0.390) 1.712 8.487 ( 0.823 0.027 0.606) 1.023 8.498 ( -0.029 -0.807 0.773) 1.118 8.673 ( -0.994 2.790 -0.380) 2.986 8.723 ( -0.815 -1.965 0.347) 2.156 9.125 ( -0.110 2.538 -0.537) 2.597 9.170 ( 0.824 -0.595 -1.491) 1.804 9.200 ( -0.727 1.065 0.678) 1.456 9.248 ( -0.539 -2.387 -0.692) 2.543 13.439 ( -1.311 12.468 -1.024) 12.578 13.490 ( 1.078 11.764 1.385) 11.894 13.666 ( -0.563 -10.538 -0.825) 10.585 13.760 ( 1.771 -13.392 1.162) 13.559 16.987 ( -0.412 0.119 -0.207) 0.476 16.995 ( -0.369 -0.632 0.112) 0.740 17.183 ( -6.430 3.285 -2.897) 7.780 17.202 ( -9.142 2.025 -5.464) 10.841 17.328 ( -2.412 -0.004 4.597) 5.191 17.352 ( -4.249 -1.682 2.347) 5.137 17.509 ( -0.169 -0.629 1.215) 1.379 17.519 ( 0.053 -1.951 1.685) 2.579 17.611 ( 2.801 0.536 -2.063) 3.520 17.625 ( 2.205 -0.973 -2.641) 3.576 17.959 ( 4.113 2.558 1.830) 5.178 18.003 ( 3.331 -1.667 0.687) 3.787 18.097 ( -1.725 0.767 -1.106) 2.188 18.111 ( -1.218 -0.496 -0.285) 1.345 18.150 ( 0.434 1.544 0.112) 1.608 18.184 ( -0.102 -1.562 -0.638) 1.691 18.780 ( -2.086 0.535 -0.124) 2.157 18.808 ( -1.980 -1.884 -0.818) 2.853 18.925 ( 1.077 2.380 0.132) 2.616 19.001 ( -0.007 -4.805 0.301) 4.814 19.413 ( -0.776 -1.004 -2.419) 2.731 19.449 ( -1.440 -4.286 -1.434) 4.744 19.722 ( 4.650 4.010 3.266) 6.955 19.795 ( 3.870 -3.036 2.698) 5.610 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -4.787 2.795 -0.741) 5.593 1.632 ( -9.884 -10.536 3.997) 14.989 1.940 ( -1.358 9.008 7.990) 12.118 2.017 ( -4.978 -0.330 -1.101) 5.109 2.090 ( -0.918 4.527 -5.267) 7.006 2.166 ( -4.338 -1.158 -6.135) 7.603 2.218 ( -0.168 1.843 -0.804) 2.017 2.365 ( 2.280 -0.981 4.236) 4.909 2.473 ( -1.507 3.873 0.130) 4.158 2.566 ( 2.877 -0.591 0.945) 3.085 2.705 ( 4.158 8.630 -5.332) 10.964 2.783 ( -2.013 5.197 -0.693) 5.616 2.797 ( -4.934 3.201 -5.139) 7.810 2.905 ( -0.157 7.737 3.406) 8.455 2.988 ( 2.279 -9.542 -1.223) 9.887 3.043 ( 2.575 7.718 6.997) 10.731 3.107 ( -4.236 -8.010 6.316) 11.045 3.255 ( 1.592 -8.745 9.112) 12.729 3.460 ( 0.012 1.341 -7.187) 7.311 3.519 ( -0.027 -1.815 -1.559) 2.393 3.620 ( -2.465 -0.421 -2.701) 3.681 3.668 ( -1.770 -3.751 0.550) 4.184 3.822 ( 2.613 7.849 -4.783) 9.556 3.868 ( 2.006 6.329 1.822) 6.885 4.007 ( -1.609 5.171 3.660) 6.536 4.034 ( 0.513 -2.598 -4.117) 4.895 4.060 ( 1.938 -5.992 1.869) 6.569 4.095 ( 5.095 -0.568 -1.253) 5.278 4.170 ( 0.029 -0.100 0.765) 0.772 4.195 ( -1.862 0.609 -1.112) 2.253 4.206 ( -1.061 0.560 -3.139) 3.361 4.308 ( -0.599 -4.598 -5.074) 6.874 4.576 ( 1.744 1.632 -1.629) 2.891 4.657 ( -1.154 -4.992 -1.424) 5.318 4.784 ( 1.370 4.032 2.768) 5.079 4.856 ( 0.646 -2.250 3.530) 4.236 5.134 ( -0.509 4.591 -3.597) 5.855 5.226 ( 1.771 -4.012 -0.186) 4.390 5.293 ( 2.018 -0.777 -1.100) 2.427 5.319 ( 3.624 -2.100 1.156) 4.345 5.478 ( -0.638 -1.255 -0.442) 1.476 5.513 ( 1.404 -4.297 1.590) 4.792 5.750 ( -0.450 1.987 -0.703) 2.156 5.793 ( -2.806 -2.215 -1.619) 3.925 5.974 ( -0.859 4.528 8.944) 10.061 6.095 ( 0.443 -6.760 13.295) 14.921 6.211 ( 1.927 4.392 5.119) 7.015 6.307 ( 6.168 -4.938 9.216) 12.139 6.411 ( -0.708 4.073 -7.854) 8.876 6.517 ( -1.236 -5.316 -11.227) 12.483 6.712 ( -4.307 4.049 -2.996) 6.627 6.790 ( -3.933 -2.883 1.777) 5.190 6.865 ( -2.540 1.709 -6.076) 6.804 6.918 ( -3.096 -2.765 -7.335) 8.428 7.055 ( -0.231 4.486 -0.761) 4.556 7.152 ( -0.295 -4.351 0.205) 4.365 7.324 ( 1.186 3.552 2.160) 4.323 7.383 ( 1.067 -1.796 -0.014) 2.089 7.488 ( 0.459 0.436 -1.869) 1.973 7.512 ( 1.153 -1.734 -1.607) 2.630 7.660 ( 1.692 3.313 2.420) 4.438 7.694 ( 0.721 0.403 1.276) 1.520 7.816 ( -0.639 -0.592 1.211) 1.491 7.838 ( -1.376 -2.322 0.187) 2.705 7.959 ( 1.846 0.614 0.233) 1.960 7.970 ( 1.474 -0.469 -0.282) 1.572 8.136 ( 3.793 1.077 2.513) 4.676 8.155 ( 2.932 -0.546 2.492) 3.886 8.249 ( -0.882 2.873 -0.091) 3.007 8.286 ( -2.104 -0.590 -2.388) 3.237 8.319 ( -1.026 2.299 0.014) 2.517 8.383 ( 0.718 -3.650 1.644) 4.067 8.502 ( 0.274 0.419 0.373) 0.624 8.519 ( 1.677 -1.323 0.097) 2.138 8.646 ( -1.180 2.504 -0.135) 2.772 8.700 ( -1.826 -2.511 0.072) 3.106 9.120 ( 0.112 3.770 -0.418) 3.795 9.161 ( 0.192 2.841 -1.909) 3.428 9.200 ( -0.327 -2.892 0.855) 3.034 9.231 ( -0.387 -3.060 -0.589) 3.140 13.390 ( -1.765 11.958 -1.315) 12.159 13.539 ( 1.576 14.072 1.729) 14.265 13.636 ( -1.021 -12.076 -1.317) 12.191 13.817 ( 2.053 -12.754 1.541) 13.009 16.970 ( -1.324 0.259 -1.465) 1.991 16.979 ( -3.335 -0.465 -1.635) 3.743 17.000 ( -3.581 0.099 -1.482) 3.877 17.019 ( -5.250 -1.679 -2.087) 5.894 17.345 ( -1.433 0.800 5.551) 5.789 17.350 ( -1.591 0.281 5.942) 6.157 17.501 ( -0.262 0.698 -1.056) 1.292 17.520 ( -0.851 -1.278 0.222) 1.551 17.636 ( 2.373 0.469 -3.579) 4.320 17.649 ( 2.248 -0.983 -1.193) 2.728 17.992 ( -1.617 0.460 -2.054) 2.654 17.996 ( -2.663 0.004 -1.360) 2.990 18.070 ( 0.904 0.248 -0.928) 1.319 18.078 ( -0.039 -0.619 -0.679) 0.920 18.198 ( 2.262 1.009 1.716) 3.013 18.210 ( 1.472 -0.162 1.589) 2.172 18.746 ( -1.204 -0.495 0.050) 1.303 18.764 ( -1.543 -2.013 -0.488) 2.582 18.951 ( 1.382 1.540 0.256) 2.085 18.997 ( -0.673 -2.921 0.234) 3.007 19.370 ( -0.579 -1.310 -2.669) 3.029 19.394 ( -2.248 -3.590 -1.443) 4.475 19.854 ( 4.528 3.011 3.275) 6.348 19.900 ( 3.319 -1.473 2.354) 4.327 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 -0.089 -0.000) 0.089 1.540 ( -0.000 -9.324 0.000) 9.324 1.934 ( -0.000 1.183 0.000) 1.183 1.959 ( 0.000 -0.994 -0.000) 0.994 2.042 ( -0.000 4.330 -0.000) 4.330 2.066 ( 0.000 2.236 -0.000) 2.236 2.268 ( 0.000 7.485 0.000) 7.485 2.409 ( -0.000 -3.853 -0.000) 3.853 2.497 ( 0.000 7.780 -0.000) 7.780 2.632 ( -0.000 -3.473 -0.000) 3.473 2.648 ( 0.000 6.853 0.000) 6.853 2.698 ( -0.000 1.911 -0.000) 1.911 2.785 ( -0.000 12.053 0.000) 12.053 2.894 ( -0.000 3.880 0.000) 3.880 3.037 ( -0.000 -10.771 0.000) 10.771 3.076 ( 0.000 -8.864 0.000) 8.864 3.225 ( -0.000 4.587 -0.000) 4.587 3.353 ( 0.000 -1.787 0.000) 1.787 3.396 ( 0.000 -0.079 0.000) 0.079 3.440 ( -0.000 -3.177 -0.000) 3.177 3.547 ( -0.000 3.171 0.000) 3.171 3.639 ( 0.000 -4.450 0.000) 4.450 3.801 ( 0.000 5.574 -0.000) 5.574 3.921 ( 0.000 -2.064 0.000) 2.064 4.005 ( 0.000 5.836 -0.000) 5.836 4.040 ( -0.000 5.105 0.000) 5.105 4.090 ( -0.000 3.958 0.000) 3.958 4.126 ( 0.000 1.624 -0.000) 1.624 4.160 ( -0.000 -4.336 -0.000) 4.336 4.182 ( 0.000 -5.039 0.000) 5.039 4.206 ( 0.000 -1.354 0.000) 1.354 4.261 ( -0.000 -2.263 -0.000) 2.263 4.589 ( -0.000 0.361 0.000) 0.361 4.631 ( 0.000 -4.321 0.000) 4.321 4.812 ( 0.000 3.158 0.000) 3.158 4.884 ( -0.000 -2.971 0.000) 2.971 5.109 ( 0.000 6.775 -0.000) 6.775 5.245 ( 0.000 -5.383 0.000) 5.383 5.317 ( 0.000 -0.434 0.000) 0.434 5.366 ( -0.000 -5.385 -0.000) 5.385 5.469 ( 0.000 2.389 0.000) 2.389 5.538 ( -0.000 -4.829 0.000) 4.829 5.731 ( 0.000 -0.494 0.000) 0.494 5.748 ( 0.000 -1.770 -0.000) 1.770 6.051 ( -0.000 7.360 -0.000) 7.360 6.153 ( 0.000 4.315 0.000) 4.315 6.228 ( 0.000 -4.219 0.000) 4.219 6.331 ( 0.000 -5.991 -0.000) 5.991 6.482 ( -0.000 0.622 -0.000) 0.622 6.486 ( 0.000 0.463 0.000) 0.463 6.636 ( 0.000 1.307 0.000) 1.307 6.710 ( -0.000 -4.254 0.000) 4.254 6.807 ( -0.000 1.268 0.000) 1.268 6.848 ( 0.000 -2.913 -0.000) 2.913 7.048 ( 0.000 4.683 0.000) 4.683 7.152 ( 0.000 -5.108 0.000) 5.108 7.346 ( 0.000 3.301 -0.000) 3.301 7.400 ( -0.000 -2.322 0.000) 2.322 7.478 ( 0.000 1.416 -0.000) 1.416 7.519 ( 0.000 -2.267 0.000) 2.267 7.690 ( 0.000 3.350 0.000) 3.350 7.708 ( -0.000 2.326 -0.000) 2.326 7.817 ( 0.000 -1.380 0.000) 1.380 7.822 ( -0.000 -2.010 -0.000) 2.010 7.985 ( 0.000 0.031 0.000) 0.031 7.986 ( 0.000 -0.023 -0.000) 0.023 8.185 ( 0.000 1.570 0.000) 1.570 8.209 ( -0.000 -0.832 -0.000) 0.832 8.218 ( 0.000 1.489 0.000) 1.489 8.250 ( 0.000 -0.807 0.000) 0.807 8.316 ( 0.000 4.348 0.000) 4.348 8.401 ( 0.000 -4.237 0.000) 4.237 8.512 ( 0.000 1.766 0.000) 1.766 8.535 ( 0.000 -0.642 0.000) 0.642 8.641 ( 0.000 0.324 0.000) 0.324 8.670 ( -0.000 -2.444 0.000) 2.444 9.120 ( -0.000 4.317 0.000) 4.317 9.151 ( 0.000 3.485 0.000) 3.485 9.200 ( 0.000 -3.305 0.000) 3.305 9.225 ( 0.000 -3.786 0.000) 3.786 13.364 ( 0.000 12.216 0.000) 12.216 13.565 ( 0.000 14.619 0.000) 14.619 13.617 ( 0.000 -12.510 0.000) 12.510 13.847 ( 0.000 -12.668 0.000) 12.668 16.903 ( 0.000 -0.318 0.000) 0.318 16.924 ( 0.000 -1.850 -0.000) 1.850 16.983 ( 0.000 -0.749 -0.000) 0.749 16.987 ( -0.000 -0.752 0.000) 0.752 17.363 ( 0.000 0.941 0.000) 0.941 17.376 ( 0.000 -0.219 0.000) 0.219 17.486 ( 0.000 1.692 -0.000) 1.692 17.510 ( 0.000 -0.969 0.000) 0.969 17.640 ( 0.000 1.098 -0.000) 1.098 17.667 ( 0.000 -1.569 0.000) 1.569 17.950 ( -0.000 -0.188 0.000) 0.188 17.955 ( 0.000 -0.476 -0.000) 0.476 18.077 ( 0.253 -0.109 -0.189) 0.334 18.077 ( -0.253 -0.083 0.189) 0.327 18.232 ( 0.000 0.965 0.000) 0.965 18.237 ( 0.000 0.494 -0.000) 0.494 18.735 ( -0.000 -0.982 0.000) 0.982 18.746 ( 0.000 -1.793 -0.000) 1.793 18.978 ( 0.000 -0.427 0.000) 0.427 18.980 ( -0.000 -0.567 -0.000) 0.567 19.355 ( -0.000 -2.493 0.000) 2.493 19.355 ( 0.000 -2.268 -0.000) 2.268 19.922 ( 0.000 2.018 0.000) 2.018 19.943 ( -0.000 -0.199 -0.000) 0.199 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 9.564 0.000 21.961) 23.953 0.548 ( -12.179 0.000 28.325) 30.833 0.763 ( -2.865 0.000 38.704) 38.810 1.770 ( -6.025 0.000 -18.956) 19.891 1.928 ( -3.265 0.000 0.952) 3.401 2.015 ( 8.212 0.000 -18.529) 20.267 2.138 ( -1.968 0.000 3.553) 4.062 2.222 ( -4.845 0.000 4.804) 6.823 2.347 ( 0.904 0.000 6.936) 6.994 2.349 ( -0.299 0.000 -2.498) 2.516 2.477 ( -9.195 0.000 -7.563) 11.905 2.531 ( 1.396 0.000 -2.390) 2.768 2.752 ( 9.628 0.000 3.446) 10.226 2.840 ( -1.193 0.000 5.555) 5.681 2.877 ( -3.230 0.000 2.864) 4.316 3.054 ( 2.348 0.000 -10.742) 10.996 3.127 ( -1.698 0.000 -3.104) 3.538 3.271 ( 3.808 0.000 -2.081) 4.339 3.344 ( 6.263 0.000 6.635) 9.124 3.445 ( 0.689 0.000 -5.118) 5.164 3.454 ( 3.313 0.000 -2.525) 4.165 3.640 ( -2.649 0.000 5.567) 6.165 3.684 ( -1.377 0.000 4.290) 4.505 3.886 ( 2.731 0.000 1.095) 2.942 3.966 ( -5.593 0.000 0.523) 5.617 4.072 ( 3.584 0.000 -7.578) 8.383 4.178 ( 6.471 0.000 5.400) 8.428 4.225 ( -2.473 0.000 -1.328) 2.807 4.288 ( 4.038 0.000 2.994) 5.027 4.292 ( -1.824 0.000 -4.640) 4.986 4.519 ( -3.375 0.000 -0.129) 3.377 4.523 ( 1.544 0.000 -2.126) 2.628 4.570 ( 0.527 0.000 -5.406) 5.431 4.609 ( 1.163 0.000 1.308) 1.751 4.749 ( -4.352 0.000 -0.729) 4.413 4.801 ( -2.181 0.000 -1.234) 2.506 5.057 ( -3.539 0.000 7.412) 8.213 5.092 ( 3.382 0.000 9.529) 10.112 5.403 ( -1.819 0.000 -5.371) 5.671 5.624 ( -2.396 0.000 -5.459) 5.961 5.805 ( -1.721 0.000 -0.186) 1.731 5.962 ( -3.776 0.000 -3.927) 5.448 5.962 ( -0.346 0.000 2.270) 2.296 6.014 ( 4.219 0.000 1.602) 4.513 6.217 ( 2.655 0.000 -2.347) 3.544 6.277 ( 2.552 0.000 0.468) 2.595 6.336 ( -0.578 0.000 0.381) 0.693 6.400 ( 6.009 0.000 6.529) 8.873 6.521 ( -0.177 0.000 -2.755) 2.760 6.597 ( -0.970 0.000 3.284) 3.424 6.738 ( -1.906 0.000 0.307) 1.931 6.795 ( 3.058 0.000 -4.781) 5.675 6.887 ( 0.374 0.000 -1.145) 1.204 6.924 ( 1.969 0.000 -1.927) 2.755 7.160 ( 1.297 0.000 3.461) 3.696 7.254 ( 1.976 0.000 3.369) 3.905 7.256 ( 4.636 0.000 -1.398) 4.842 7.359 ( 3.987 0.000 0.796) 4.066 7.499 ( 1.957 0.000 0.019) 1.957 7.549 ( -15.552 0.000 2.585) 15.766 7.614 ( -0.976 0.000 3.469) 3.604 7.661 ( 0.361 0.000 1.691) 1.729 7.727 ( -1.264 0.000 -2.675) 2.958 7.821 ( 3.279 0.000 0.288) 3.292 8.014 ( 0.242 0.000 -0.616) 0.662 8.018 ( -2.743 0.000 -1.260) 3.019 8.111 ( -7.297 0.000 -1.563) 7.463 8.202 ( 0.616 0.000 -0.704) 0.935 8.252 ( 0.697 0.000 -1.400) 1.564 8.282 ( 2.398 0.000 -1.557) 2.859 8.354 ( 2.001 0.000 1.981) 2.816 8.376 ( -1.011 0.000 1.212) 1.579 8.512 ( -3.108 0.000 -3.653) 4.796 8.562 ( 2.777 0.000 -3.438) 4.419 8.725 ( -1.495 0.000 3.041) 3.388 8.742 ( 3.008 0.000 2.922) 4.194 8.874 ( 0.668 0.000 0.142) 0.683 8.995 ( -3.102 0.000 -3.683) 4.815 9.319 ( 1.968 0.000 2.500) 3.182 9.397 ( -0.901 0.000 -0.137) 0.912 12.575 ( -0.169 0.000 0.050) 0.176 12.584 ( 0.193 0.000 -0.163) 0.252 14.123 ( -1.014 0.000 3.191) 3.348 14.458 ( 5.083 0.000 -5.015) 7.141 16.884 ( 1.388 0.000 3.571) 3.832 17.000 ( 0.640 0.000 3.300) 3.362 17.014 ( -1.974 0.000 4.136) 4.583 17.054 ( -5.455 0.000 2.774) 6.120 17.234 ( -3.310 0.000 -6.055) 6.900 17.315 ( -6.602 0.000 -3.294) 7.378 17.385 ( 3.092 0.000 -5.172) 6.026 17.405 ( 1.314 0.000 -5.060) 5.227 17.732 ( 2.030 0.000 8.307) 8.552 17.884 ( -0.706 0.000 2.355) 2.458 18.052 ( -0.691 0.000 -1.789) 1.918 18.107 ( -1.640 0.000 -0.975) 1.908 18.149 ( 0.592 0.000 1.061) 1.215 18.153 ( -0.563 0.000 2.434) 2.498 18.200 ( 1.525 0.000 -0.066) 1.526 18.295 ( 0.381 0.000 -0.670) 0.771 18.706 ( -0.914 0.000 0.399) 0.998 18.782 ( 0.404 0.000 -1.797) 1.842 19.114 ( -1.680 0.000 3.161) 3.580 19.327 ( 18.302 0.000 -0.086) 18.302 19.477 ( -4.898 0.000 -1.102) 5.021 19.787 ( -1.634 0.000 5.255) 5.503 19.830 ( -1.772 0.000 -6.358) 6.601 20.054 ( 0.576 0.000 -2.025) 2.105 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 1.966 0.000 22.908) 22.993 0.734 ( 3.837 0.000 25.572) 25.858 1.416 ( -4.578 0.000 -23.818) 24.254 1.440 ( 27.246 0.000 26.183) 37.787 1.908 ( -0.585 0.000 1.187) 1.323 2.000 ( 4.517 0.000 -13.714) 14.438 2.074 ( -7.921 0.000 0.221) 7.924 2.145 ( -4.515 0.000 0.559) 4.549 2.213 ( -8.475 0.000 -6.286) 10.552 2.377 ( 6.202 0.000 -1.547) 6.391 2.509 ( 8.737 0.000 9.959) 13.248 2.542 ( 2.560 0.000 -3.039) 3.974 2.778 ( -7.145 0.000 1.197) 7.245 2.840 ( -4.194 0.000 4.934) 6.476 2.959 ( 8.356 0.000 1.479) 8.485 2.968 ( 0.481 0.000 -9.397) 9.409 3.142 ( 1.815 0.000 -1.456) 2.327 3.272 ( 1.916 0.000 -8.220) 8.440 3.425 ( 0.061 0.000 0.311) 0.317 3.463 ( -0.396 0.000 -2.547) 2.578 3.508 ( 0.783 0.000 0.519) 0.939 3.618 ( -1.809 0.000 1.567) 2.394 3.739 ( 2.377 0.000 4.818) 5.372 3.848 ( -1.905 0.000 -1.201) 2.252 3.991 ( 1.449 0.000 1.979) 2.452 4.077 ( -1.297 0.000 -2.728) 3.020 4.116 ( -1.627 0.000 -4.179) 4.485 4.192 ( -1.377 0.000 -2.840) 3.156 4.347 ( 0.186 0.000 -0.274) 0.331 4.362 ( 5.085 0.000 3.108) 5.959 4.446 ( -0.523 0.000 -3.230) 3.272 4.496 ( -2.281 0.000 -7.330) 7.677 4.551 ( -0.727 0.000 1.983) 2.112 4.561 ( -2.447 0.000 1.925) 3.114 4.726 ( -0.459 0.000 2.315) 2.360 4.840 ( 2.331 0.000 0.694) 2.432 5.036 ( -4.473 0.000 6.370) 7.784 5.227 ( 0.407 0.000 8.958) 8.968 5.332 ( -1.726 0.000 -2.470) 3.013 5.502 ( -2.925 0.000 -7.279) 7.845 5.730 ( -4.173 0.000 -0.297) 4.184 5.784 ( -8.551 0.000 -3.640) 9.294 6.005 ( 3.065 0.000 0.581) 3.120 6.092 ( 0.631 0.000 2.968) 3.035 6.230 ( -4.170 0.000 -1.222) 4.345 6.265 ( 5.498 0.000 -3.657) 6.603 6.341 ( -0.660 0.000 2.581) 2.664 6.429 ( -8.619 0.000 0.535) 8.636 6.580 ( 2.089 0.000 6.920) 7.228 6.583 ( -2.474 0.000 0.310) 2.493 6.726 ( 2.133 0.000 -1.818) 2.803 6.815 ( -11.542 0.000 4.939) 12.554 6.845 ( 4.741 0.000 -2.524) 5.370 6.905 ( 3.166 0.000 -0.734) 3.250 7.142 ( -1.723 0.000 0.328) 1.754 7.201 ( -0.710 0.000 3.351) 3.425 7.266 ( -2.881 0.000 0.128) 2.884 7.308 ( 1.669 0.000 0.344) 1.704 7.469 ( -1.541 0.000 1.120) 1.905 7.565 ( 0.952 0.000 3.694) 3.815 7.618 ( -2.624 0.000 3.634) 4.483 7.672 ( -0.771 0.000 0.261) 0.814 7.689 ( -0.434 0.000 -1.637) 1.693 7.890 ( 3.482 0.000 -0.529) 3.522 7.973 ( -0.689 0.000 -1.632) 1.772 8.027 ( 1.135 0.000 0.458) 1.224 8.072 ( -1.586 0.000 0.911) 1.829 8.187 ( -0.314 0.000 -2.118) 2.141 8.254 ( -1.113 0.000 -1.182) 1.624 8.260 ( 0.756 0.000 0.926) 1.196 8.353 ( -2.579 0.000 0.660) 2.662 8.434 ( -0.803 0.000 -3.156) 3.257 8.435 ( 3.841 0.000 -1.601) 4.162 8.588 ( 2.714 0.000 -2.201) 3.494 8.704 ( -2.633 0.000 1.183) 2.886 8.792 ( -1.132 0.000 1.913) 2.223 8.907 ( 1.507 0.000 2.113) 2.595 8.921 ( 0.246 0.000 -3.162) 3.171 9.363 ( -1.715 0.000 -0.030) 1.716 9.380 ( 1.633 0.000 1.789) 2.422 12.573 ( -0.039 0.000 0.017) 0.043 12.590 ( 0.436 0.000 -0.109) 0.449 14.164 ( 1.225 0.000 4.098) 4.277 14.562 ( 8.313 0.000 -13.893) 16.191 17.010 ( -2.393 0.000 4.462) 5.063 17.012 ( 6.412 0.000 5.354) 8.354 17.029 ( -1.630 0.000 4.487) 4.774 17.103 ( 5.270 0.000 4.378) 6.851 17.185 ( 3.990 0.000 -7.426) 8.431 17.270 ( 2.460 0.000 -4.321) 4.973 17.378 ( 1.213 0.000 -4.985) 5.130 17.411 ( 5.073 0.000 -4.246) 6.615 17.825 ( -1.711 0.000 8.191) 8.368 17.894 ( -0.324 0.000 3.037) 3.054 17.976 ( -4.394 0.000 -2.343) 4.980 18.046 ( -3.030 0.000 -3.017) 4.276 18.164 ( -0.637 0.000 1.870) 1.975 18.175 ( 1.346 0.000 1.064) 1.715 18.211 ( -0.802 0.000 0.738) 1.090 18.294 ( 0.115 0.000 -0.866) 0.874 18.721 ( 1.988 0.000 0.567) 2.067 18.786 ( 1.655 0.000 -1.634) 2.326 19.062 ( -5.877 0.000 1.532) 6.074 19.329 ( -8.550 0.000 -0.900) 8.597 19.502 ( 3.062 0.000 4.371) 5.337 19.710 ( -2.475 0.000 -7.337) 7.744 19.841 ( 0.362 0.000 3.017) 3.038 20.010 ( -2.320 0.000 -2.558) 3.453 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 4.564 0.000 16.223) 16.853 1.101 ( 7.744 0.000 23.386) 24.635 1.253 ( 9.067 0.000 -12.077) 15.101 1.667 ( -17.191 0.000 5.793) 18.141 1.849 ( -8.639 0.000 2.910) 9.116 1.993 ( -9.161 0.000 2.957) 9.626 2.070 ( 11.228 0.000 -15.026) 18.758 2.128 ( 5.837 0.000 -4.301) 7.250 2.260 ( 21.544 0.000 7.904) 22.948 2.558 ( 5.870 0.000 -5.183) 7.831 2.589 ( 12.256 0.000 8.497) 14.913 2.648 ( -7.019 0.000 2.165) 7.346 2.773 ( -5.943 0.000 2.481) 6.440 2.837 ( 11.469 0.000 7.060) 13.468 2.887 ( -2.535 0.000 -8.293) 8.672 3.030 ( -1.907 0.000 -5.085) 5.431 3.089 ( -6.105 0.000 1.190) 6.220 3.215 ( 2.326 0.000 -8.304) 8.624 3.240 ( -14.100 0.000 -5.862) 15.270 3.437 ( -0.023 0.000 3.114) 3.114 3.522 ( 2.971 0.000 1.546) 3.350 3.667 ( 6.091 0.000 -2.996) 6.788 3.806 ( 2.210 0.000 -3.869) 4.456 3.822 ( -5.197 0.000 -3.631) 6.340 3.912 ( -1.688 0.000 -3.171) 3.593 4.003 ( -2.866 0.000 3.726) 4.701 4.106 ( 0.087 0.000 -0.414) 0.423 4.246 ( 3.539 0.000 6.015) 6.979 4.304 ( -0.141 0.000 -5.651) 5.653 4.376 ( -2.433 0.000 -5.665) 6.166 4.449 ( 3.063 0.000 -0.362) 3.085 4.460 ( 0.762 0.000 2.134) 2.266 4.555 ( -0.564 0.000 0.274) 0.627 4.575 ( 2.487 0.000 1.191) 2.757 4.741 ( -0.469 0.000 4.019) 4.047 4.850 ( -3.309 0.000 2.460) 4.123 5.020 ( -3.206 0.000 1.722) 3.640 5.207 ( -3.827 0.000 -3.861) 5.436 5.356 ( -0.945 0.000 10.216) 10.260 5.408 ( -0.475 0.000 -2.719) 2.760 5.598 ( -7.021 0.000 0.040) 7.021 5.671 ( -1.490 0.000 -0.606) 1.608 6.064 ( 0.574 0.000 1.636) 1.734 6.096 ( -2.504 0.000 2.074) 3.252 6.155 ( -2.331 0.000 1.625) 2.842 6.213 ( -11.980 0.000 1.714) 12.102 6.312 ( 2.602 0.000 -3.669) 4.498 6.384 ( 2.242 0.000 2.348) 3.246 6.537 ( -0.054 0.000 -2.902) 2.903 6.598 ( -2.602 0.000 3.547) 4.399 6.763 ( 2.785 0.000 -1.599) 3.212 6.821 ( 4.602 0.000 0.345) 4.615 6.880 ( 0.821 0.000 -3.585) 3.678 6.990 ( 5.519 0.000 0.133) 5.520 7.170 ( -4.891 0.000 -1.783) 5.206 7.187 ( 4.962 0.000 -2.122) 5.397 7.211 ( -1.383 0.000 1.424) 1.985 7.328 ( -0.172 0.000 -1.750) 1.759 7.463 ( 0.407 0.000 2.097) 2.136 7.561 ( -2.919 0.000 0.443) 2.952 7.591 ( -3.016 0.000 2.127) 3.690 7.649 ( -2.046 0.000 1.735) 2.683 7.676 ( 0.442 0.000 -0.974) 1.069 7.920 ( 1.032 0.000 -1.812) 2.085 7.964 ( 0.752 0.000 0.208) 0.780 8.045 ( -2.627 0.000 1.933) 3.261 8.059 ( 1.313 0.000 0.392) 1.370 8.171 ( 0.406 0.000 -0.933) 1.018 8.241 ( 0.067 0.000 0.322) 0.329 8.275 ( -3.015 0.000 1.142) 3.224 8.323 ( 0.792 0.000 1.547) 1.738 8.414 ( 0.997 0.000 -1.760) 2.023 8.461 ( 1.849 0.000 -3.602) 4.049 8.616 ( 1.718 0.000 -0.917) 1.948 8.663 ( -1.908 0.000 -0.065) 1.909 8.759 ( -2.342 0.000 0.754) 2.460 8.933 ( 2.009 0.000 -0.887) 2.197 8.962 ( 0.834 0.000 3.437) 3.537 9.333 ( -0.894 0.000 -0.893) 1.263 9.408 ( 0.390 0.000 -0.052) 0.394 12.574 ( 0.040 0.000 0.112) 0.119 12.596 ( 0.362 0.000 -0.174) 0.402 14.231 ( 0.290 0.000 5.086) 5.094 14.552 ( 4.746 0.000 -8.653) 9.869 17.019 ( -1.655 0.000 4.492) 4.787 17.040 ( -1.923 0.000 4.229) 4.645 17.186 ( 5.413 0.000 2.707) 6.052 17.207 ( 5.247 0.000 -6.433) 8.302 17.222 ( 3.062 0.000 0.868) 3.183 17.295 ( 4.244 0.000 -3.965) 5.808 17.353 ( 1.442 0.000 -4.143) 4.387 17.522 ( 7.789 0.000 1.057) 7.860 17.829 ( -3.250 0.000 3.616) 4.862 17.862 ( -4.247 0.000 -3.948) 5.799 17.922 ( -1.499 0.000 4.237) 4.494 17.927 ( -4.427 0.000 -3.601) 5.707 18.168 ( -0.474 0.000 1.163) 1.255 18.193 ( -1.985 0.000 1.593) 2.545 18.221 ( 2.152 0.000 0.878) 2.324 18.277 ( -0.871 0.000 -1.266) 1.536 18.796 ( 5.139 0.000 0.761) 5.195 18.811 ( 2.418 0.000 -0.969) 2.605 18.955 ( -5.107 0.000 0.162) 5.110 19.135 ( -10.032 0.000 -1.648) 10.167 19.577 ( -0.702 0.000 5.261) 5.307 19.627 ( 0.201 0.000 -3.757) 3.762 19.853 ( -1.068 0.000 1.462) 1.810 19.941 ( -1.890 0.000 -1.802) 2.612 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -10.161 0.000 11.842) 15.604 1.272 ( -19.881 0.000 14.522) 24.620 1.515 ( 18.267 0.000 6.914) 19.531 1.576 ( 6.490 0.000 16.648) 17.868 1.775 ( -0.092 0.000 6.409) 6.409 1.974 ( 0.584 0.000 10.321) 10.338 2.135 ( 10.922 0.000 -15.453) 18.923 2.223 ( 3.669 0.000 -1.077) 3.824 2.344 ( -16.467 0.000 -11.616) 20.151 2.496 ( -11.269 0.000 -12.375) 16.737 2.546 ( -4.024 0.000 0.840) 4.111 2.635 ( 1.581 0.000 -1.201) 1.986 2.763 ( 5.946 0.000 2.854) 6.595 2.791 ( -10.547 0.000 -9.648) 14.294 2.966 ( -3.618 0.000 -4.281) 5.605 3.014 ( 6.181 0.000 9.816) 11.600 3.018 ( 5.207 0.000 -5.522) 7.590 3.167 ( 10.122 0.000 7.749) 12.748 3.194 ( 0.236 0.000 -4.173) 4.179 3.472 ( -2.265 0.000 0.139) 2.269 3.590 ( -4.015 0.000 1.304) 4.221 3.672 ( -1.633 0.000 -8.328) 8.487 3.709 ( 9.319 0.000 -1.025) 9.376 3.813 ( 3.367 0.000 -3.340) 4.743 3.955 ( 3.506 0.000 2.203) 4.141 4.000 ( -0.607 0.000 3.297) 3.352 4.134 ( 1.528 0.000 2.400) 2.845 4.255 ( -5.713 0.000 -2.065) 6.074 4.267 ( 1.337 0.000 -4.309) 4.512 4.372 ( 3.247 0.000 3.849) 5.035 4.460 ( -2.497 0.000 3.101) 3.981 4.469 ( 0.137 0.000 -3.842) 3.844 4.558 ( 1.846 0.000 1.606) 2.447 4.682 ( 6.791 0.000 -2.454) 7.221 4.769 ( -3.159 0.000 3.361) 4.613 4.787 ( -5.294 0.000 6.412) 8.315 4.933 ( -2.971 0.000 -2.858) 4.123 5.077 ( -3.289 0.000 -7.428) 8.123 5.427 ( 3.554 0.000 1.591) 3.894 5.436 ( -1.917 0.000 9.918) 10.101 5.610 ( 3.802 0.000 7.607) 8.505 5.651 ( 0.297 0.000 -0.828) 0.879 5.975 ( -8.647 0.000 -0.111) 8.648 6.051 ( -2.084 0.000 -1.163) 2.387 6.147 ( 1.595 0.000 3.722) 4.050 6.193 ( 2.488 0.000 3.687) 4.448 6.295 ( 0.029 0.000 -5.338) 5.339 6.434 ( 1.633 0.000 1.291) 2.082 6.540 ( 0.439 0.000 1.224) 1.301 6.573 ( -3.027 0.000 0.134) 3.030 6.783 ( 0.824 0.000 -1.944) 2.112 6.793 ( -4.126 0.000 -5.496) 6.873 6.892 ( 3.458 0.000 -2.647) 4.355 7.031 ( -4.405 0.000 -6.517) 7.866 7.089 ( 3.878 0.000 -0.318) 3.891 7.209 ( -0.473 0.000 2.014) 2.069 7.219 ( -1.100 0.000 -4.074) 4.219 7.292 ( 1.430 0.000 -2.273) 2.686 7.511 ( -1.483 0.000 -0.682) 1.632 7.526 ( 1.303 0.000 4.605) 4.786 7.559 ( -1.935 0.000 1.433) 2.408 7.639 ( -1.246 0.000 2.757) 3.025 7.685 ( 1.122 0.000 -0.529) 1.240 7.914 ( 0.571 0.000 -2.395) 2.462 8.006 ( 1.551 0.000 2.460) 2.908 8.019 ( -1.204 0.000 1.867) 2.222 8.069 ( -0.384 0.000 0.048) 0.387 8.160 ( -1.431 0.000 -0.961) 1.724 8.229 ( 0.535 0.000 -1.630) 1.716 8.254 ( 0.361 0.000 1.115) 1.172 8.357 ( -0.891 0.000 3.471) 3.583 8.442 ( 2.773 0.000 0.193) 2.779 8.446 ( 1.047 0.000 -4.338) 4.462 8.621 ( 0.059 0.000 -2.252) 2.253 8.648 ( 0.362 0.000 0.542) 0.652 8.733 ( -1.105 0.000 -0.037) 1.105 8.966 ( 1.382 0.000 1.190) 1.824 8.993 ( -1.547 0.000 3.574) 3.894 9.315 ( 0.274 0.000 -1.102) 1.135 9.395 ( -0.786 0.000 -1.829) 1.990 12.576 ( -0.004 0.000 0.231) 0.231 12.598 ( 0.038 0.000 -0.294) 0.296 14.253 ( -3.305 0.000 4.514) 5.594 14.616 ( 8.314 0.000 -3.079) 8.866 17.033 ( -1.679 0.000 4.440) 4.747 17.040 ( -2.319 0.000 4.108) 4.717 17.186 ( -3.670 0.000 -3.656) 5.180 17.231 ( -1.791 0.000 -2.211) 2.845 17.252 ( 4.822 0.000 -3.713) 6.086 17.341 ( 3.256 0.000 -1.856) 3.748 17.373 ( 2.179 0.000 -1.659) 2.739 17.616 ( -2.978 0.000 -0.869) 3.102 17.753 ( 4.081 0.000 -4.807) 6.306 17.785 ( -3.628 0.000 0.629) 3.682 17.918 ( -2.418 0.000 2.908) 3.782 17.927 ( 4.355 0.000 2.114) 4.841 18.167 ( -0.590 0.000 0.214) 0.628 18.177 ( -1.529 0.000 2.286) 2.750 18.232 ( -1.987 0.000 -1.477) 2.476 18.267 ( 1.565 0.000 0.213) 1.580 18.863 ( 3.107 0.000 0.078) 3.108 18.892 ( -1.878 0.000 1.055) 2.154 18.897 ( -0.454 0.000 0.735) 0.864 18.961 ( -1.021 0.000 -2.429) 2.634 19.569 ( -3.817 0.000 2.399) 4.508 19.653 ( 4.390 0.000 0.246) 4.397 19.842 ( -0.994 0.000 0.634) 1.178 19.920 ( 1.139 0.000 -0.709) 1.342 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -21.525 0.000 13.349) 25.328 0.974 ( -25.288 0.000 17.744) 30.893 1.540 ( -36.263 0.000 -12.910) 38.492 1.921 ( 6.043 0.000 15.337) 16.484 1.946 ( 7.316 0.000 11.860) 13.935 1.950 ( 8.359 0.000 8.564) 11.967 2.136 ( 2.101 0.000 4.840) 5.276 2.174 ( 5.647 0.000 -16.166) 17.124 2.220 ( -0.656 0.000 5.172) 5.214 2.328 ( 0.941 0.000 -6.454) 6.522 2.416 ( -6.459 0.000 -9.434) 11.433 2.611 ( -3.173 0.000 0.664) 3.242 2.652 ( 4.100 0.000 2.514) 4.809 2.830 ( -1.150 0.000 0.090) 1.153 3.018 ( 7.896 0.000 -0.796) 7.936 3.042 ( -3.058 0.000 -5.507) 6.299 3.077 ( 2.052 0.000 -7.698) 7.967 3.151 ( 5.200 0.000 5.056) 7.253 3.395 ( 0.622 0.000 -4.412) 4.456 3.433 ( 4.657 0.000 1.854) 5.013 3.510 ( -2.143 0.000 -8.151) 8.428 3.596 ( -0.361 0.000 0.521) 0.634 3.767 ( -4.925 0.000 0.279) 4.933 3.818 ( 2.593 0.000 -3.061) 4.012 4.065 ( -0.039 0.000 4.644) 4.644 4.104 ( 6.556 0.000 0.527) 6.577 4.172 ( 0.618 0.000 -1.052) 1.220 4.174 ( 2.251 0.000 -2.068) 3.056 4.236 ( -1.662 0.000 -1.159) 2.026 4.343 ( -3.538 0.000 -3.783) 5.179 4.452 ( 0.786 0.000 -0.409) 0.886 4.476 ( -0.092 0.000 4.964) 4.965 4.637 ( -1.017 0.000 -2.468) 2.669 4.675 ( -1.770 0.000 -0.467) 1.831 4.734 ( 3.044 0.000 5.916) 6.653 4.882 ( 6.093 0.000 -2.010) 6.416 4.902 ( -0.808 0.000 3.196) 3.297 4.979 ( 0.418 0.000 1.191) 1.262 5.446 ( -2.625 0.000 0.733) 2.726 5.567 ( 6.755 0.000 2.862) 7.336 5.680 ( -2.049 0.000 5.124) 5.519 5.798 ( 5.260 0.000 7.119) 8.851 5.829 ( -1.133 0.000 -6.143) 6.247 6.028 ( 2.056 0.000 -0.844) 2.223 6.191 ( -1.250 0.000 1.715) 2.122 6.219 ( -1.192 0.000 -6.310) 6.421 6.355 ( 3.961 0.000 13.940) 14.491 6.462 ( -3.526 0.000 -5.932) 6.901 6.470 ( -0.072 0.000 -0.214) 0.226 6.541 ( -2.671 0.000 4.228) 5.001 6.665 ( -5.342 0.000 -0.833) 5.406 6.749 ( -0.758 0.000 -3.231) 3.318 6.904 ( 2.128 0.000 -5.091) 5.518 6.921 ( -0.681 0.000 -4.697) 4.746 7.092 ( -6.068 0.000 -5.222) 8.005 7.115 ( 0.377 0.000 -0.956) 1.027 7.231 ( 0.462 0.000 0.295) 0.548 7.305 ( 1.004 0.000 -1.832) 2.089 7.487 ( -0.411 0.000 -0.700) 0.811 7.552 ( 0.366 0.000 0.429) 0.564 7.576 ( -1.927 0.000 6.783) 7.052 7.648 ( -0.190 0.000 0.862) 0.883 7.703 ( 1.377 0.000 -0.304) 1.410 7.883 ( -0.956 0.000 -3.543) 3.669 8.016 ( -0.231 0.000 2.261) 2.273 8.050 ( -1.660 0.000 0.331) 1.693 8.094 ( 3.025 0.000 3.731) 4.803 8.147 ( 1.734 0.000 -0.768) 1.896 8.241 ( 1.646 0.000 -1.789) 2.431 8.276 ( 0.981 0.000 0.796) 1.263 8.366 ( -0.839 0.000 2.312) 2.460 8.421 ( 0.651 0.000 -3.782) 3.837 8.515 ( 2.892 0.000 3.252) 4.352 8.592 ( 0.663 0.000 -4.525) 4.574 8.669 ( 0.372 0.000 2.128) 2.160 8.700 ( -0.972 0.000 -3.076) 3.226 8.970 ( -3.492 0.000 1.703) 3.885 9.014 ( 1.135 0.000 3.527) 3.705 9.324 ( 1.061 0.000 0.145) 1.071 9.345 ( -1.770 0.000 -2.937) 3.429 12.578 ( -0.104 0.000 0.280) 0.299 12.593 ( -0.201 0.000 -0.334) 0.390 14.204 ( -5.205 0.000 3.090) 6.053 14.783 ( 11.197 0.000 -3.798) 11.824 17.029 ( -2.406 0.000 3.394) 4.160 17.033 ( -7.360 0.000 -2.777) 7.866 17.054 ( -1.425 0.000 5.187) 5.379 17.132 ( -5.880 0.000 -1.559) 6.084 17.325 ( 4.308 0.000 2.064) 4.777 17.368 ( 0.477 0.000 -0.647) 0.803 17.382 ( 2.037 0.000 -3.678) 4.204 17.501 ( -2.413 0.000 -5.060) 5.606 17.709 ( -3.366 0.000 -1.359) 3.630 17.883 ( 8.062 0.000 0.470) 8.075 17.896 ( -2.036 0.000 1.387) 2.463 18.045 ( 4.428 0.000 2.153) 4.924 18.156 ( -1.188 0.000 1.260) 1.732 18.174 ( -0.296 0.000 0.247) 0.385 18.177 ( -2.033 0.000 -1.090) 2.307 18.291 ( 0.842 0.000 0.023) 0.842 18.801 ( -4.951 0.000 1.119) 5.076 18.850 ( -2.158 0.000 0.217) 2.168 18.960 ( 4.773 0.000 1.426) 4.981 19.008 ( 3.307 0.000 -5.545) 6.456 19.518 ( -2.303 0.000 1.043) 2.528 19.777 ( 6.099 0.000 2.023) 6.426 19.832 ( -0.497 0.000 0.554) 0.744 19.961 ( 3.657 0.000 -0.974) 3.785 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -32.007 0.000 -2.363) 32.094 0.646 ( -22.757 0.000 21.501) 31.308 0.801 ( -30.308 0.000 22.188) 37.561 1.966 ( -6.979 0.000 1.816) 7.211 2.010 ( -3.048 0.000 -6.075) 6.797 2.073 ( 3.833 0.000 -16.680) 17.115 2.170 ( 4.645 0.000 5.862) 7.480 2.192 ( 0.058 0.000 10.669) 10.669 2.251 ( -1.502 0.000 0.403) 1.555 2.352 ( 2.474 0.000 -1.193) 2.747 2.485 ( 11.067 0.000 4.093) 11.799 2.551 ( -1.550 0.000 -1.945) 2.487 2.768 ( -9.184 0.000 -2.906) 9.633 2.817 ( 2.387 0.000 2.521) 3.472 2.829 ( -1.714 0.000 3.677) 4.057 3.069 ( 2.320 0.000 -7.402) 7.757 3.186 ( 8.160 0.000 -3.247) 8.782 3.268 ( -2.626 0.000 -9.630) 9.981 3.287 ( -0.668 0.000 4.029) 4.084 3.399 ( 3.692 0.000 -3.843) 5.329 3.542 ( -2.227 0.000 -5.479) 5.915 3.597 ( 1.498 0.000 5.590) 5.788 3.703 ( -1.970 0.000 0.163) 1.976 3.832 ( 2.828 0.000 -1.989) 3.457 4.059 ( -1.165 0.000 3.415) 3.608 4.090 ( -4.966 0.000 -2.902) 5.752 4.116 ( 2.641 0.000 -11.240) 11.546 4.212 ( 0.631 0.000 1.265) 1.414 4.237 ( 0.906 0.000 2.211) 2.390 4.338 ( 0.480 0.000 -0.078) 0.486 4.501 ( 3.233 0.000 2.036) 3.820 4.522 ( -0.020 0.000 2.971) 2.971 4.565 ( 0.882 0.000 -5.637) 5.705 4.628 ( -1.046 0.000 -5.067) 5.174 4.816 ( -2.422 0.000 3.377) 4.156 4.930 ( 3.714 0.000 2.444) 4.446 4.988 ( 2.300 0.000 8.081) 8.402 5.060 ( -1.364 0.000 -14.544) 14.608 5.469 ( 4.824 0.000 7.072) 8.560 5.588 ( -0.475 0.000 9.272) 9.285 5.671 ( 1.144 0.000 0.353) 1.197 5.863 ( -1.265 0.000 7.545) 7.651 5.906 ( 5.786 0.000 -2.197) 6.189 6.072 ( -2.220 0.000 -0.074) 2.221 6.175 ( -0.492 0.000 4.949) 4.973 6.177 ( 2.227 0.000 0.157) 2.233 6.326 ( -1.006 0.000 -5.307) 5.401 6.391 ( -1.987 0.000 -6.592) 6.885 6.569 ( -1.131 0.000 6.197) 6.300 6.571 ( -3.501 0.000 -0.567) 3.547 6.680 ( 9.922 0.000 22.211) 24.326 6.742 ( 0.412 0.000 1.790) 1.837 6.876 ( 0.716 0.000 -4.982) 5.033 6.889 ( 0.556 0.000 -2.074) 2.148 6.943 ( -3.209 0.000 0.349) 3.228 7.115 ( 0.582 0.000 0.180) 0.609 7.219 ( -0.479 0.000 -0.379) 0.611 7.297 ( 0.450 0.000 -1.716) 1.773 7.484 ( 0.656 0.000 -0.664) 0.934 7.572 ( 0.682 0.000 0.815) 1.063 7.606 ( -1.326 0.000 6.211) 6.351 7.648 ( -0.672 0.000 1.473) 1.619 7.738 ( 2.354 0.000 -0.215) 2.364 7.816 ( -1.823 0.000 -3.119) 3.613 8.026 ( -0.742 0.000 -0.439) 0.862 8.035 ( 0.003 0.000 1.031) 1.031 8.182 ( 1.761 0.000 -0.199) 1.772 8.184 ( 2.180 0.000 3.795) 4.377 8.250 ( 1.336 0.000 -1.987) 2.395 8.302 ( 1.004 0.000 -1.377) 1.704 8.374 ( -0.448 0.000 1.622) 1.682 8.384 ( -0.967 0.000 -4.193) 4.303 8.563 ( 1.484 0.000 -4.771) 4.996 8.586 ( -1.133 0.000 1.635) 1.989 8.660 ( 2.431 0.000 -1.841) 3.050 8.703 ( 0.068 0.000 3.418) 3.419 8.906 ( -3.241 0.000 -0.796) 3.337 9.055 ( -0.645 0.000 1.180) 1.344 9.291 ( -0.687 0.000 -0.976) 1.193 9.356 ( 1.354 0.000 2.143) 2.535 12.577 ( -0.187 0.000 0.194) 0.269 12.586 ( -0.124 0.000 -0.260) 0.288 14.141 ( -3.879 0.000 2.674) 4.712 14.819 ( -1.472 0.000 -22.383) 22.431 16.898 ( -4.650 0.000 0.394) 4.667 17.017 ( -2.430 0.000 3.684) 4.413 17.019 ( -4.573 0.000 0.920) 4.665 17.080 ( -0.485 0.000 2.802) 2.844 17.332 ( -2.359 0.000 -2.748) 3.621 17.383 ( 2.525 0.000 -4.751) 5.380 17.436 ( 0.440 0.000 -4.986) 5.005 17.493 ( 5.907 0.000 8.726) 10.537 17.646 ( -1.895 0.000 -2.772) 3.358 17.869 ( -0.938 0.000 -0.067) 0.941 18.018 ( 5.271 0.000 -0.408) 5.287 18.119 ( 0.508 0.000 2.321) 2.376 18.138 ( -1.279 0.000 0.133) 1.286 18.148 ( -1.220 0.000 1.904) 2.261 18.173 ( 1.466 0.000 -1.767) 2.296 18.300 ( 0.172 0.000 -0.338) 0.379 18.748 ( -2.321 0.000 0.498) 2.374 18.808 ( -1.421 0.000 -1.253) 1.894 18.973 ( 1.062 0.000 1.199) 1.602 19.065 ( 3.230 0.000 2.852) 4.309 19.509 ( -0.135 0.000 0.570) 0.586 19.831 ( -0.953 0.000 -0.119) 0.960 19.870 ( 2.197 0.000 -1.304) 2.555 20.025 ( 3.864 0.000 -1.488) 4.141 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 14.470 14.813 18.422) 27.716 0.686 ( -1.890 18.375 13.440) 22.844 1.117 ( -10.069 26.276 28.227) 39.857 1.704 ( -1.356 -4.890 -14.771) 15.618 1.942 ( -4.331 2.873 -6.507) 8.327 2.082 ( 0.020 3.379 -10.350) 10.888 2.207 ( -0.021 4.364 5.057) 6.680 2.240 ( 0.484 0.696 -2.061) 2.228 2.265 ( -5.984 0.725 2.720) 6.613 2.443 ( -4.582 1.547 1.572) 5.085 2.531 ( 3.467 8.112 2.228) 9.099 2.636 ( 0.101 7.499 -5.498) 9.299 2.775 ( 0.448 2.212 0.180) 2.264 2.875 ( 1.598 4.088 3.240) 5.456 2.904 ( -2.136 2.330 5.005) 5.919 3.042 ( 1.853 -0.182 -8.278) 8.485 3.128 ( -0.701 0.750 -2.143) 2.376 3.265 ( 1.886 -5.505 -0.555) 5.846 3.340 ( 4.178 -4.188 -1.079) 6.013 3.377 ( 5.818 4.404 -0.518) 7.316 3.511 ( -4.642 -0.039 1.209) 4.797 3.616 ( 1.042 0.430 3.258) 3.447 3.756 ( 1.053 5.288 -0.061) 5.392 3.942 ( 1.570 -2.234 -1.391) 3.065 3.981 ( -1.253 -4.190 -5.294) 6.867 4.055 ( 1.635 2.096 -3.743) 4.591 4.178 ( 1.858 0.358 -4.186) 4.594 4.238 ( -2.498 0.279 -0.205) 2.522 4.258 ( 5.718 -0.908 2.436) 6.281 4.291 ( -2.689 -1.558 -3.408) 4.612 4.453 ( -0.698 -4.099 0.608) 4.202 4.490 ( -2.899 -2.194 0.264) 3.645 4.585 ( -0.102 -0.798 -2.407) 2.538 4.622 ( 1.438 1.239 -2.096) 2.828 4.794 ( -4.087 3.477 -1.233) 5.506 4.838 ( 0.324 2.971 0.860) 3.110 5.071 ( 2.065 -1.255 7.624) 7.997 5.094 ( -2.124 2.000 3.268) 4.380 5.380 ( -0.786 -2.200 -1.951) 3.044 5.590 ( -0.679 -3.303 -2.417) 4.149 5.700 ( -1.282 -7.072 1.818) 7.414 5.854 ( -1.096 -2.306 0.433) 2.589 5.980 ( 6.841 -3.424 -1.385) 7.774 6.070 ( -2.899 -3.799 3.685) 6.035 6.111 ( -2.080 -7.696 3.494) 8.705 6.255 ( 2.335 2.084 1.259) 3.373 6.284 ( 5.085 -4.990 7.351) 10.237 6.445 ( 0.276 2.857 -1.271) 3.139 6.478 ( -5.032 -4.025 -2.825) 7.036 6.605 ( 2.573 0.277 1.383) 2.934 6.658 ( -3.453 0.785 0.934) 3.662 6.786 ( 2.982 -1.050 -3.678) 4.850 6.886 ( 0.065 1.082 -0.478) 1.185 6.976 ( 2.017 -0.906 1.814) 2.860 7.093 ( -0.782 -10.315 6.418) 12.173 7.142 ( 2.378 -1.059 4.462) 5.166 7.178 ( 2.548 -1.415 -2.974) 4.165 7.335 ( -0.360 2.796 -0.930) 2.969 7.451 ( 1.525 -3.637 1.350) 4.168 7.486 ( -5.116 -1.799 4.466) 7.025 7.645 ( 0.656 1.903 1.570) 2.552 7.651 ( -2.093 0.244 2.245) 3.079 7.767 ( -0.259 2.402 -2.212) 3.276 7.853 ( 1.939 2.476 -0.575) 3.197 7.975 ( 0.327 -2.995 -0.568) 3.066 8.010 ( -1.450 -0.749 -0.179) 1.642 8.109 ( -0.630 0.286 -1.567) 1.713 8.175 ( 0.660 -2.680 -0.761) 2.863 8.265 ( -1.775 0.690 -1.506) 2.427 8.273 ( -0.308 -1.332 -0.025) 1.367 8.360 ( 2.506 0.759 0.718) 2.715 8.384 ( -0.833 0.836 1.216) 1.694 8.512 ( -1.747 -0.369 -2.982) 3.475 8.547 ( 2.083 -1.413 -2.716) 3.703 8.696 ( -1.603 -2.095 3.608) 4.470 8.754 ( 2.494 0.425 1.708) 3.053 8.909 ( 0.093 3.545 -0.834) 3.643 9.014 ( -2.786 1.490 -3.601) 4.791 9.306 ( 1.784 -1.213 2.412) 3.236 9.363 ( -0.446 -1.568 1.104) 1.969 12.667 ( 0.177 7.693 0.540) 7.714 12.931 ( -0.022 16.198 -15.035) 22.101 14.097 ( -0.908 -2.554 2.944) 4.002 14.394 ( 2.601 -5.947 -4.248) 7.757 16.965 ( 1.556 3.241 1.076) 3.753 16.986 ( 0.671 1.473 0.403) 1.668 17.042 ( -2.809 1.510 4.904) 5.850 17.093 ( -3.348 2.497 4.373) 6.047 17.249 ( -1.326 0.930 -5.731) 5.956 17.272 ( -5.505 0.044 -4.145) 6.891 17.433 ( 2.125 2.684 -2.872) 4.468 17.491 ( -1.426 5.263 -6.565) 8.535 17.721 ( 3.112 -1.096 7.761) 8.433 17.864 ( -1.409 -2.113 2.488) 3.555 18.005 ( 2.796 -5.119 0.189) 5.835 18.058 ( -0.905 -3.506 1.292) 3.844 18.115 ( -0.949 -2.068 1.054) 2.508 18.122 ( 1.055 -0.480 0.408) 1.229 18.179 ( 1.452 -1.529 -1.189) 2.420 18.272 ( -0.026 -2.131 -0.508) 2.191 18.736 ( -0.378 2.187 -0.083) 2.221 18.781 ( 0.640 0.310 -0.843) 1.103 19.081 ( -1.791 -2.902 2.982) 4.530 19.325 ( 11.575 -2.018 -3.398) 12.231 19.453 ( -4.172 -0.512 2.520) 4.901 19.723 ( -1.487 -2.178 7.373) 7.830 19.788 ( -1.853 -4.246 -4.565) 6.504 20.017 ( 0.703 -3.734 -2.071) 4.327 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 7.515 16.727 12.389) 22.131 1.021 ( 2.509 19.534 22.038) 29.556 1.454 ( -2.457 3.907 -18.907) 19.463 1.537 ( 20.259 9.139 21.787) 31.122 1.783 ( 2.746 -6.185 -10.518) 12.507 2.020 ( -6.728 -1.448 -4.454) 8.197 2.107 ( -6.090 3.962 1.392) 7.398 2.197 ( -6.227 4.324 0.222) 7.584 2.314 ( 5.763 5.829 -0.084) 8.198 2.412 ( -0.277 5.387 2.678) 6.023 2.553 ( 1.069 4.797 -2.696) 5.605 2.639 ( 3.419 6.389 2.360) 7.621 2.770 ( -0.937 -0.849 0.507) 1.362 2.849 ( -6.246 1.462 5.146) 8.224 2.946 ( 1.447 0.581 -2.209) 2.704 3.015 ( 4.023 1.304 -3.859) 5.726 3.143 ( 2.470 2.897 -1.331) 4.033 3.265 ( 2.036 -2.738 -6.562) 7.396 3.375 ( -3.200 -4.738 -2.808) 6.370 3.404 ( 0.421 -3.874 -0.468) 3.925 3.502 ( 0.013 2.178 4.169) 4.704 3.661 ( 0.484 1.432 -1.385) 2.050 3.785 ( 0.688 4.379 2.304) 4.995 3.885 ( -0.650 1.364 -3.675) 3.974 3.969 ( -0.536 -4.042 -1.209) 4.253 4.062 ( 0.512 -1.512 -2.514) 2.978 4.111 ( -5.949 0.403 -4.703) 7.594 4.156 ( 2.769 -1.618 0.288) 3.219 4.275 ( 0.195 -3.589 3.283) 4.868 4.384 ( 4.279 -1.169 1.308) 4.625 4.438 ( -1.926 -3.890 -3.173) 5.377 4.449 ( -1.381 -1.082 -1.306) 2.187 4.544 ( -0.500 0.036 -2.156) 2.213 4.605 ( -1.671 3.377 -0.224) 3.774 4.747 ( -0.706 2.226 1.755) 2.921 4.875 ( 0.520 1.973 2.163) 2.974 5.049 ( -3.789 0.563 2.941) 4.830 5.197 ( 1.773 -1.990 7.187) 7.666 5.372 ( 0.315 3.070 1.141) 3.291 5.521 ( -1.655 1.175 -6.143) 6.469 5.612 ( -5.179 -6.912 -1.176) 8.717 5.808 ( -3.546 -0.713 -2.403) 4.343 6.026 ( -0.180 0.401 -0.693) 0.821 6.066 ( -0.849 -2.445 3.783) 4.583 6.099 ( -2.917 -9.810 2.093) 10.446 6.254 ( -2.799 -3.826 0.899) 4.825 6.333 ( -3.244 -1.839 -1.954) 4.210 6.411 ( -0.175 1.224 0.608) 1.378 6.501 ( -0.123 -3.728 4.724) 6.019 6.624 ( 1.268 0.066 2.102) 2.455 6.665 ( 2.497 0.227 0.842) 2.645 6.821 ( 1.439 -2.094 -1.767) 3.094 6.897 ( 1.749 1.285 -0.566) 2.243 6.957 ( -2.692 5.967 -1.755) 6.778 7.063 ( -0.501 -7.581 2.080) 7.877 7.151 ( -0.779 -3.781 -1.748) 4.237 7.241 ( 0.863 -0.855 3.238) 3.458 7.314 ( 0.988 -0.020 -1.994) 2.225 7.477 ( -0.754 0.771 2.118) 2.377 7.525 ( 1.530 -2.719 3.638) 4.792 7.626 ( -2.691 0.289 2.652) 3.789 7.660 ( -0.092 0.778 -0.027) 0.784 7.741 ( -0.572 3.280 -1.455) 3.634 7.883 ( 1.779 -0.494 -1.659) 2.482 7.986 ( 0.017 1.099 -0.422) 1.178 8.004 ( 2.009 -2.100 0.934) 3.053 8.098 ( -0.899 1.080 0.061) 1.406 8.169 ( 0.193 -1.560 -1.643) 2.274 8.229 ( -1.910 0.437 -0.597) 2.048 8.246 ( -0.532 -2.841 0.807) 3.001 8.356 ( -2.619 0.710 0.482) 2.756 8.411 ( 1.730 -0.106 -2.551) 3.084 8.477 ( 1.486 1.142 -1.232) 2.243 8.580 ( 2.893 -0.831 -1.440) 3.336 8.679 ( -2.653 -1.841 1.676) 3.638 8.800 ( -0.012 0.134 1.559) 1.565 8.928 ( 1.287 2.157 1.057) 2.725 8.937 ( -0.633 1.568 -3.092) 3.524 9.346 ( -0.894 -1.355 0.391) 1.670 9.368 ( 1.292 -1.141 1.365) 2.199 12.675 ( -0.215 8.217 0.566) 8.239 12.759 ( -3.693 13.822 -4.253) 14.926 14.137 ( 1.290 -2.634 3.655) 4.686 14.457 ( 6.464 -8.964 -9.470) 14.554 17.006 ( -0.897 -0.571 3.429) 3.590 17.018 ( 1.647 0.631 2.428) 3.001 17.047 ( -1.415 1.535 4.880) 5.308 17.102 ( 1.448 0.566 3.211) 3.568 17.199 ( 2.677 1.059 -5.034) 5.800 17.266 ( 5.524 0.564 -1.272) 5.696 17.432 ( 0.408 4.024 -5.114) 6.520 17.451 ( 3.123 2.987 -3.370) 5.480 17.819 ( -1.469 -1.053 6.896) 7.129 17.851 ( -1.827 -3.714 1.868) 4.541 17.987 ( -2.255 0.312 -1.586) 2.774 18.024 ( -1.899 -2.064 -2.829) 3.984 18.121 ( 0.361 -3.448 1.263) 3.689 18.150 ( -0.082 -2.061 2.391) 3.158 18.186 ( 0.071 -1.798 -0.554) 1.883 18.261 ( -0.209 -2.411 -1.372) 2.782 18.751 ( 2.034 2.280 -0.046) 3.056 18.795 ( 1.801 0.792 -0.913) 2.169 19.035 ( -5.070 -2.372 1.727) 5.858 19.297 ( -6.092 -3.180 -2.325) 7.254 19.522 ( 3.133 1.746 4.442) 5.710 19.678 ( -1.874 -2.811 -5.731) 6.652 19.797 ( -0.038 -3.376 3.735) 5.035 19.984 ( -1.323 -2.595 -2.287) 3.703 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 6.684 13.401 9.309) 17.633 1.287 ( 3.362 13.769 16.892) 22.051 1.317 ( 8.573 7.937 -5.662) 12.983 1.693 ( -7.837 0.336 -0.691) 7.875 1.859 ( 3.448 -6.469 -7.099) 10.204 1.922 ( -6.578 5.774 3.538) 9.441 2.027 ( -9.742 3.136 3.636) 10.861 2.245 ( 15.388 -1.820 6.366) 16.752 2.372 ( 7.187 12.229 -7.440) 16.017 2.510 ( -4.087 -3.591 1.342) 5.603 2.617 ( 13.664 3.315 10.023) 17.267 2.682 ( -3.790 0.635 -1.387) 4.085 2.791 ( -1.453 1.421 1.878) 2.767 2.846 ( 6.116 2.204 0.563) 6.525 2.891 ( -3.341 0.837 -5.332) 6.348 3.037 ( -2.196 -1.408 1.946) 3.255 3.131 ( -4.845 1.588 -6.571) 8.317 3.205 ( -3.929 2.698 -1.833) 5.107 3.260 ( 1.133 1.483 -4.822) 5.170 3.417 ( 1.513 -1.663 -1.752) 2.850 3.492 ( -1.562 -0.115 2.725) 3.143 3.621 ( -1.732 -5.694 -5.446) 8.068 3.761 ( 1.054 1.359 -0.733) 1.869 3.924 ( -0.899 -0.463 -3.374) 3.523 3.941 ( 4.194 4.554 0.223) 6.195 3.992 ( -2.732 -0.127 0.904) 2.880 4.038 ( -1.121 -4.043 -1.183) 4.359 4.239 ( -0.079 -2.058 -1.109) 2.340 4.292 ( -1.066 -0.742 1.582) 2.047 4.349 ( 0.271 -3.474 -2.782) 4.459 4.400 ( -1.605 -2.078 -0.635) 2.701 4.467 ( 3.522 -0.917 0.634) 3.694 4.531 ( 0.380 -1.430 -1.143) 1.870 4.618 ( 2.117 4.030 1.989) 4.968 4.758 ( -0.639 1.546 3.478) 3.859 4.872 ( -4.077 1.046 3.403) 5.412 5.020 ( -1.422 0.373 0.434) 1.533 5.252 ( -2.087 2.795 -0.823) 3.584 5.381 ( -3.566 1.498 3.394) 5.146 5.438 ( 0.456 2.976 -1.193) 3.238 5.556 ( 1.391 -3.112 1.426) 3.695 5.692 ( -5.473 1.670 -1.332) 5.875 6.036 ( -0.845 -2.859 1.002) 3.146 6.061 ( -2.568 -3.371 2.165) 4.758 6.077 ( -0.313 -5.816 3.819) 6.965 6.140 ( -8.695 -6.141 1.563) 10.760 6.281 ( 0.262 -2.583 -3.776) 4.583 6.430 ( 0.735 2.407 2.255) 3.379 6.482 ( -0.487 -2.564 -3.716) 4.541 6.669 ( 0.440 3.726 1.808) 4.165 6.752 ( 3.027 -0.404 -0.259) 3.065 6.820 ( 1.097 -2.939 1.620) 3.531 6.893 ( 1.580 3.456 -7.349) 8.274 6.970 ( 3.758 -1.357 -0.567) 4.035 7.073 ( -1.859 -9.444 1.018) 9.679 7.127 ( -0.434 -2.078 -0.106) 2.126 7.245 ( 1.785 2.516 -3.064) 4.348 7.365 ( 2.102 1.093 2.150) 3.199 7.473 ( -0.572 1.428 0.575) 1.642 7.535 ( -2.276 -1.863 0.646) 3.011 7.598 ( -2.411 0.169 1.547) 2.870 7.659 ( -1.018 1.140 2.715) 3.116 7.716 ( -0.224 3.250 -1.247) 3.488 7.896 ( 1.863 -0.702 -2.108) 2.900 7.984 ( -0.100 0.829 0.296) 0.886 8.049 ( -2.625 -0.857 -0.902) 2.905 8.065 ( 2.291 -0.089 1.414) 2.694 8.164 ( -0.608 0.668 -0.347) 0.968 8.210 ( 0.413 -1.885 0.668) 2.042 8.277 ( 1.161 -2.722 2.605) 3.942 8.291 ( -3.452 0.374 -1.030) 3.621 8.410 ( 1.211 -0.042 -1.848) 2.210 8.496 ( 1.676 1.830 -2.517) 3.534 8.615 ( 1.399 -0.359 -0.708) 1.608 8.642 ( -1.809 -1.237 0.369) 2.222 8.785 ( -1.717 1.460 0.338) 2.279 8.932 ( 1.585 0.298 -0.625) 1.730 8.974 ( 0.896 1.247 3.057) 3.421 9.324 ( -0.763 -0.852 -0.845) 1.422 9.395 ( 0.430 -1.306 -0.024) 1.375 12.662 ( -0.773 8.002 -0.177) 8.041 12.710 ( -0.445 10.219 -0.319) 10.233 14.199 ( 0.408 -3.230 4.216) 5.327 14.461 ( 4.048 -8.148 -6.710) 11.305 17.018 ( -1.141 -0.863 3.404) 3.692 17.055 ( -2.135 1.020 4.779) 5.333 17.086 ( 3.410 -4.467 -1.439) 5.800 17.152 ( 2.089 -2.927 -1.309) 3.826 17.271 ( 5.862 1.903 1.068) 6.256 17.361 ( 1.929 3.320 -0.185) 3.844 17.385 ( -0.468 2.318 -3.814) 4.487 17.525 ( 6.950 0.378 0.375) 6.971 17.801 ( -2.305 -3.438 1.417) 4.375 17.814 ( -3.607 -3.719 -2.195) 5.626 17.924 ( -3.252 0.541 -1.781) 3.747 17.958 ( -1.903 1.867 0.951) 2.831 18.142 ( 0.612 -2.517 0.172) 2.596 18.161 ( -1.449 -2.325 1.766) 3.260 18.188 ( 1.057 -2.619 0.447) 2.859 18.235 ( -0.787 -2.696 -1.735) 3.301 18.806 ( 3.485 0.666 -0.805) 3.638 18.842 ( 4.124 2.151 0.357) 4.665 18.948 ( -4.524 -0.704 0.739) 4.638 19.128 ( -8.647 -0.809 -2.249) 8.972 19.572 ( 0.119 -1.672 0.199) 1.688 19.648 ( 0.471 2.903 1.374) 3.247 19.798 ( -1.702 -4.730 1.425) 5.225 19.939 ( -1.093 -0.512 -1.583) 1.991 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -13.641 6.653 5.773) 16.238 1.479 ( -12.498 15.461 14.376) 24.534 1.555 ( 16.390 4.585 6.329) 18.158 1.668 ( 7.886 8.208 10.466) 15.462 1.851 ( -0.845 6.806 8.591) 10.993 1.919 ( 6.585 -8.067 -4.527) 11.355 2.015 ( 2.597 -0.153 6.709) 7.196 2.326 ( -12.206 -1.774 -8.734) 15.113 2.378 ( -3.672 0.999 -1.396) 4.053 2.472 ( -0.715 2.779 -5.256) 5.988 2.572 ( -9.556 2.080 -8.679) 13.076 2.600 ( 3.233 -1.925 -3.350) 5.038 2.768 ( -1.214 1.101 -3.287) 3.673 2.864 ( -1.825 -2.938 0.168) 3.463 2.917 ( -4.103 6.464 -4.464) 8.863 2.972 ( 0.865 0.334 -2.272) 2.454 3.092 ( 10.034 -0.982 2.347) 10.352 3.189 ( 0.833 3.737 2.941) 4.828 3.280 ( 2.551 6.585 -1.305) 7.181 3.443 ( -1.415 -2.883 -0.501) 3.251 3.541 ( 0.829 0.152 3.720) 3.814 3.560 ( 6.800 -6.105 -2.359) 9.438 3.822 ( -5.004 0.420 -1.270) 5.179 3.843 ( 2.896 5.187 -0.946) 6.016 3.975 ( 4.298 1.267 -1.074) 4.607 4.026 ( 1.311 -1.679 -0.899) 2.312 4.065 ( 4.731 -0.643 1.445) 4.989 4.142 ( -4.311 -4.784 -0.847) 6.495 4.314 ( 1.901 -4.274 -0.845) 4.753 4.343 ( -1.988 -1.699 -3.075) 4.036 4.387 ( 0.788 -3.290 2.995) 4.519 4.482 ( -1.792 1.316 0.687) 2.327 4.550 ( 1.784 -1.114 1.065) 2.357 4.715 ( 3.753 2.426 -0.332) 4.481 4.780 ( -2.097 0.621 3.361) 4.010 4.805 ( -4.625 1.383 3.965) 6.247 4.990 ( -0.974 4.478 -0.821) 4.655 5.123 ( -3.767 3.755 -7.049) 8.831 5.368 ( 1.366 -1.699 3.710) 4.303 5.524 ( 1.330 3.908 5.012) 6.493 5.597 ( -2.292 -2.794 0.493) 3.647 5.670 ( 5.768 3.035 5.126) 8.292 5.944 ( -8.616 -3.002 -0.184) 9.126 6.014 ( -1.442 -4.014 -1.507) 4.524 6.093 ( 1.651 -4.964 1.452) 5.429 6.147 ( 0.263 -3.104 6.722) 7.408 6.272 ( 3.005 -2.136 -3.070) 4.797 6.413 ( 0.076 -3.052 -5.066) 5.915 6.472 ( -0.802 -2.526 1.543) 3.067 6.671 ( -2.848 3.880 -0.693) 4.862 6.730 ( -0.609 -0.982 -2.616) 2.860 6.852 ( -0.168 2.426 -0.394) 2.464 6.870 ( 2.057 -1.583 -4.289) 5.014 7.023 ( -1.513 -3.014 -3.717) 5.019 7.041 ( 4.243 -3.357 -1.568) 5.633 7.091 ( -2.309 -3.164 -0.013) 3.917 7.269 ( 1.478 2.287 -0.836) 2.848 7.368 ( -1.927 4.283 -1.440) 4.912 7.489 ( -1.095 -2.034 0.848) 2.461 7.515 ( 1.549 -0.816 1.949) 2.620 7.571 ( -2.003 0.791 1.966) 2.916 7.675 ( -1.078 2.393 3.796) 4.615 7.717 ( 1.304 2.941 -0.858) 3.330 7.909 ( 1.539 0.307 -2.313) 2.795 7.986 ( -1.072 -1.588 0.802) 2.077 8.017 ( 0.994 -1.092 0.004) 1.477 8.093 ( -1.060 2.028 1.313) 2.638 8.159 ( 0.707 -0.499 -0.206) 0.890 8.200 ( -1.559 -0.793 -1.466) 2.282 8.249 ( -0.046 -0.824 1.290) 1.532 8.317 ( 0.522 -2.864 1.406) 3.233 8.433 ( 2.646 -0.224 -1.053) 2.857 8.490 ( 0.368 2.285 -1.792) 2.928 8.601 ( -0.631 -1.639 -1.545) 2.339 8.641 ( 0.540 -0.293 0.218) 0.652 8.754 ( -1.241 1.155 -1.150) 2.049 8.967 ( 1.429 0.417 1.825) 2.355 9.009 ( -1.043 1.514 3.567) 4.013 9.308 ( 0.260 -0.723 -1.061) 1.310 9.383 ( -0.745 -1.144 -1.661) 2.149 12.660 ( 0.399 7.678 0.464) 7.703 12.702 ( -0.018 9.554 -0.504) 9.567 14.219 ( -2.773 -3.398 3.719) 5.750 14.513 ( 6.393 -9.212 -2.568) 11.504 17.031 ( -1.325 -0.618 3.715) 3.992 17.051 ( -2.913 0.798 4.384) 5.324 17.114 ( 0.690 -4.476 -2.236) 5.051 17.171 ( 0.921 -2.856 -1.527) 3.367 17.302 ( -1.368 0.817 -3.249) 3.619 17.320 ( -1.772 -0.799 -1.401) 2.396 17.412 ( 3.098 2.236 -0.369) 3.838 17.618 ( -2.132 0.113 -0.690) 2.244 17.729 ( 4.024 -2.219 -3.144) 5.568 17.793 ( -1.768 -0.187 1.120) 2.101 17.916 ( 2.569 0.088 1.876) 3.182 17.937 ( -0.800 0.653 0.939) 1.396 18.126 ( -1.354 -3.042 -1.370) 3.601 18.161 ( 0.056 -0.939 0.549) 1.089 18.185 ( -1.578 -3.807 -1.063) 4.256 18.229 ( 1.173 -2.604 0.452) 2.892 18.864 ( 3.296 -0.532 -0.059) 3.339 18.888 ( -2.874 -0.260 0.974) 3.045 18.935 ( -2.860 2.430 -0.275) 3.763 18.973 ( 2.872 1.070 -1.785) 3.547 19.587 ( -1.204 0.505 2.041) 2.423 19.657 ( 1.373 1.347 0.221) 1.936 19.789 ( -0.678 -4.679 1.639) 5.004 19.919 ( 0.715 -0.338 -1.437) 1.640 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -18.281 6.464 7.491) 20.787 1.226 ( -23.045 14.717 8.053) 28.504 1.645 ( -29.797 11.169 -5.617) 32.313 1.923 ( 3.816 -3.726 9.188) 10.624 1.940 ( 7.396 -1.275 2.261) 7.838 2.012 ( 4.495 5.592 9.936) 12.255 2.067 ( 3.528 3.065 6.542) 8.040 2.192 ( 3.269 0.731 3.700) 4.991 2.282 ( 0.812 2.230 -3.271) 4.041 2.358 ( 4.856 1.837 -3.204) 6.101 2.493 ( -5.991 4.914 -7.697) 10.921 2.575 ( 2.307 1.357 -0.627) 2.749 2.753 ( 3.006 2.968 -4.035) 5.842 2.812 ( -3.800 -0.018 3.952) 5.483 2.926 ( 6.436 -4.321 -2.456) 8.132 2.997 ( 1.521 -0.410 -0.690) 1.720 3.119 ( 4.383 -0.020 -6.933) 8.203 3.242 ( -2.879 6.864 -0.174) 7.445 3.353 ( 6.133 -2.760 -1.381) 6.866 3.369 ( -3.370 -2.946 -1.960) 4.886 3.559 ( -3.957 1.719 0.523) 4.346 3.666 ( 1.656 3.999 -0.445) 4.351 3.710 ( -1.667 1.479 -0.357) 2.257 3.939 ( 8.264 4.697 -1.100) 9.569 4.006 ( 1.490 -5.836 -3.002) 6.730 4.056 ( 1.028 -2.740 -2.802) 4.052 4.111 ( -1.593 -3.871 3.490) 5.450 4.176 ( 4.030 0.816 1.889) 4.525 4.227 ( -3.170 -3.876 -5.822) 7.679 4.349 ( 1.432 1.944 -0.505) 2.467 4.420 ( -0.165 -3.921 1.786) 4.312 4.482 ( -0.104 0.397 3.677) 3.700 4.612 ( 1.048 -1.941 1.635) 2.746 4.661 ( -4.058 -0.420 -0.899) 4.177 4.757 ( 0.848 1.656 2.560) 3.164 4.853 ( 2.930 0.053 0.088) 2.932 5.003 ( -0.248 5.638 -1.945) 5.969 5.025 ( 0.715 4.308 1.952) 4.783 5.426 ( -3.115 -1.635 0.992) 3.655 5.567 ( 7.100 -1.736 2.272) 7.654 5.650 ( -1.561 -1.567 6.226) 6.607 5.767 ( -4.781 -2.987 -5.342) 7.766 5.845 ( 4.295 0.927 5.627) 7.140 6.007 ( 3.543 -3.431 -1.587) 5.181 6.119 ( -0.119 -4.695 -0.200) 4.701 6.210 ( -0.874 -2.397 0.758) 2.661 6.296 ( 2.052 -4.971 1.507) 5.585 6.383 ( -3.824 -4.355 -5.629) 8.079 6.451 ( 2.898 -0.054 3.579) 4.606 6.599 ( -2.941 1.686 1.978) 3.925 6.718 ( -0.109 2.663 -0.126) 2.668 6.811 ( -1.956 3.866 -2.582) 5.044 6.856 ( 1.032 0.487 -2.521) 2.767 6.970 ( 0.153 0.327 -4.234) 4.250 7.011 ( -3.054 -2.613 -2.908) 4.961 7.109 ( 2.069 -2.659 -2.449) 4.165 7.248 ( -3.435 2.815 0.768) 4.507 7.326 ( 0.170 1.036 -1.119) 1.534 7.474 ( -0.923 -1.134 -0.203) 1.476 7.548 ( -0.028 -1.220 0.948) 1.545 7.573 ( -1.078 0.380 3.836) 4.003 7.681 ( -1.455 2.866 1.990) 3.780 7.739 ( 1.574 2.960 -0.681) 3.421 7.900 ( -0.071 1.931 -2.324) 3.022 7.979 ( -0.111 -3.466 0.600) 3.520 8.063 ( -1.533 -0.668 1.937) 2.559 8.072 ( 2.059 -0.713 0.093) 2.181 8.156 ( 0.294 0.015 -0.587) 0.657 8.204 ( 1.982 -1.515 -0.122) 2.498 8.273 ( 0.589 -0.328 2.073) 2.180 8.329 ( 0.655 -2.524 -0.926) 2.767 8.449 ( 0.258 1.072 -2.458) 2.694 8.508 ( 1.556 -0.463 1.165) 1.998 8.582 ( 0.671 -0.531 -1.217) 1.488 8.656 ( -0.193 -1.273 1.798) 2.211 8.710 ( -0.582 0.680 -3.662) 3.770 8.998 ( -2.776 2.440 1.519) 3.996 9.022 ( 1.257 0.781 3.621) 3.912 9.314 ( 0.559 -0.959 -0.165) 1.122 9.338 ( -1.286 -0.679 -2.393) 2.800 12.670 ( -0.169 7.481 0.015) 7.483 12.724 ( 3.713 11.847 -0.094) 12.416 14.174 ( -4.664 -3.026 2.476) 6.086 14.624 ( 6.293 -13.358 -2.917) 15.052 17.013 ( -3.619 -0.491 0.112) 3.654 17.041 ( -2.530 -0.201 1.038) 2.742 17.061 ( -3.218 0.844 4.480) 5.580 17.140 ( -4.055 0.519 1.032) 4.216 17.290 ( 2.589 -2.856 0.303) 3.866 17.309 ( 2.312 -2.706 -0.492) 3.593 17.434 ( 0.399 2.556 -1.750) 3.124 17.531 ( -1.837 2.124 -3.691) 4.638 17.734 ( -3.330 1.944 -1.787) 4.250 17.839 ( 2.873 -2.776 3.344) 5.210 17.928 ( 2.271 1.370 -0.263) 2.666 18.030 ( 4.232 -1.942 1.920) 5.036 18.072 ( -1.779 -4.779 -3.304) 6.076 18.141 ( -0.979 -3.174 -1.265) 3.554 18.171 ( -0.098 -0.326 0.363) 0.497 18.253 ( 0.820 -2.976 0.433) 3.117 18.819 ( -4.228 1.105 -0.126) 4.372 18.843 ( -2.772 -0.086 0.017) 2.773 18.950 ( 4.205 -0.943 1.293) 4.500 19.074 ( 5.921 3.487 -3.678) 7.794 19.535 ( -3.401 1.786 0.437) 3.866 19.750 ( 4.883 -2.545 2.158) 5.914 19.792 ( -1.268 -3.590 1.620) 4.138 19.940 ( 3.062 -2.011 -1.680) 4.030 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -20.267 9.023 3.798) 22.507 0.750 ( -20.199 14.571 3.650) 25.172 1.202 ( -22.098 26.555 19.009) 39.431 1.868 ( -3.890 -5.535 -8.817) 11.113 1.969 ( -0.651 -2.169 -0.192) 2.273 2.171 ( 3.411 1.347 4.304) 5.655 2.193 ( 1.534 5.470 0.553) 5.708 2.247 ( -2.325 3.418 3.837) 5.640 2.312 ( -2.601 4.186 -4.031) 6.367 2.389 ( 4.220 1.195 5.125) 6.745 2.517 ( 6.492 7.229 -2.529) 10.040 2.610 ( 1.657 5.443 -2.093) 6.062 2.789 ( -0.802 0.455 6.136) 6.205 2.818 ( 2.763 0.782 0.290) 2.886 2.886 ( -4.752 5.725 0.125) 7.441 3.056 ( 4.912 -2.576 -6.591) 8.614 3.181 ( -2.119 -4.509 3.941) 6.353 3.233 ( 3.432 4.012 -4.415) 6.883 3.268 ( 4.214 0.707 -4.615) 6.289 3.368 ( -2.482 -3.484 -3.795) 5.718 3.517 ( -0.521 -5.300 5.292) 7.508 3.623 ( -2.104 6.212 -2.670) 7.081 3.744 ( 1.079 6.216 0.293) 6.316 3.981 ( 0.744 -2.731 -7.174) 7.712 4.032 ( 1.590 -1.346 -5.499) 5.880 4.055 ( -1.732 -4.904 1.365) 5.377 4.107 ( 7.829 1.498 -3.518) 8.712 4.170 ( 3.033 0.867 -1.772) 3.618 4.244 ( 0.309 -0.151 2.314) 2.339 4.359 ( -1.167 0.366 -2.223) 2.537 4.445 ( 1.547 -5.469 3.578) 6.716 4.513 ( -0.857 -0.216 2.228) 2.397 4.593 ( -0.237 -0.303 -4.244) 4.261 4.630 ( 1.077 0.758 -0.295) 1.350 4.837 ( -0.240 0.732 3.806) 3.883 4.893 ( -1.673 -2.638 1.432) 3.437 4.965 ( 1.456 3.264 0.433) 3.600 5.109 ( 1.789 2.258 -2.174) 3.609 5.387 ( -0.139 -5.139 5.165) 7.287 5.552 ( -3.767 -2.138 0.684) 4.385 5.666 ( -0.657 -2.186 1.215) 2.585 5.822 ( 5.293 -1.787 6.098) 8.270 5.907 ( 0.735 -2.086 -0.627) 2.299 6.084 ( -1.992 -5.091 -0.547) 5.494 6.105 ( 2.227 -1.674 3.544) 4.508 6.195 ( -2.408 -7.633 -4.776) 9.320 6.199 ( 1.923 0.059 0.764) 2.070 6.452 ( 2.561 -5.062 3.823) 6.841 6.524 ( 1.300 4.088 -3.754) 5.700 6.562 ( -0.500 0.944 4.076) 4.214 6.714 ( -4.109 6.990 2.902) 8.612 6.800 ( 1.666 -5.329 -4.227) 7.003 6.878 ( 3.441 3.444 6.028) 7.748 6.911 ( -1.327 1.952 -2.665) 3.560 6.952 ( 1.378 -0.143 -2.008) 2.440 7.100 ( -0.055 -1.327 0.442) 1.400 7.195 ( -0.976 0.560 -2.207) 2.477 7.337 ( 0.555 2.483 0.161) 2.550 7.448 ( -1.084 -2.772 -0.272) 2.989 7.540 ( -3.178 -2.915 2.861) 5.175 7.602 ( 1.220 0.376 2.019) 2.389 7.668 ( -1.928 2.268 2.341) 3.788 7.764 ( 1.967 1.983 -1.042) 2.982 7.863 ( -1.173 3.934 -1.995) 4.565 7.980 ( -0.092 -3.867 -0.295) 3.880 8.035 ( -1.717 -0.365 1.162) 2.105 8.128 ( 1.604 -3.713 -0.775) 4.119 8.163 ( 0.886 -2.093 -0.331) 2.297 8.245 ( 1.763 0.164 0.731) 1.915 8.313 ( 1.521 0.370 1.570) 2.217 8.320 ( -0.281 -2.389 -2.490) 3.462 8.410 ( -2.496 1.423 -0.227) 2.882 8.525 ( 1.834 -2.595 -3.304) 4.584 8.592 ( -1.784 -0.103 -0.246) 1.804 8.661 ( 0.940 -0.699 2.014) 2.330 8.702 ( 1.419 0.364 0.332) 1.502 8.945 ( -2.474 3.437 -0.978) 4.346 9.066 ( -0.285 0.947 1.094) 1.475 9.280 ( -0.756 -0.980 -0.847) 1.500 9.345 ( 0.702 -0.812 1.347) 1.722 12.664 ( -0.178 7.329 -0.020) 7.332 12.860 ( 12.429 16.215 -4.098) 20.837 14.114 ( -3.468 -2.686 2.255) 4.932 14.586 ( -6.148 -15.533 -9.629) 19.282 16.952 ( -1.066 2.500 -0.387) 2.746 16.998 ( -1.959 0.709 -0.121) 2.087 17.054 ( -3.116 1.315 4.016) 5.251 17.097 ( -2.231 1.603 3.956) 4.816 17.314 ( 0.024 -0.816 -2.773) 2.891 17.398 ( -1.609 1.414 -0.818) 2.293 17.428 ( 1.837 -0.183 1.578) 2.429 17.515 ( 5.071 1.172 3.890) 6.498 17.649 ( -3.186 0.620 -3.905) 5.078 17.859 ( -0.705 -1.156 0.477) 1.436 17.986 ( -2.547 -6.773 -1.771) 7.450 18.016 ( 4.029 -0.671 0.292) 4.094 18.104 ( 1.360 -2.018 0.814) 2.566 18.121 ( -0.551 -2.298 0.527) 2.421 18.170 ( 0.757 -0.357 -1.626) 1.828 18.269 ( 0.365 -2.571 0.434) 2.633 18.762 ( -2.017 1.233 -0.033) 2.364 18.793 ( -1.586 0.278 -0.590) 1.715 19.041 ( 2.524 -2.028 2.816) 4.291 19.137 ( 7.099 6.488 -3.654) 10.288 19.498 ( -1.495 -0.822 0.515) 1.782 19.754 ( -4.888 -3.981 2.660) 6.842 19.826 ( 1.219 -4.137 -0.519) 4.344 19.992 ( 3.555 -3.344 -1.632) 5.146 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 6.460 18.424 13.954) 23.998 1.184 ( 9.927 26.208 -1.903) 28.090 1.632 ( -2.647 -0.664 -9.489) 9.874 1.681 ( -10.099 26.239 19.409) 34.164 2.013 ( 0.455 3.077 -2.056) 3.729 2.130 ( -4.149 0.288 -8.416) 9.388 2.201 ( -4.644 0.371 0.834) 4.733 2.285 ( -1.106 2.180 2.837) 3.745 2.359 ( 0.759 4.532 0.166) 4.598 2.529 ( -0.505 5.687 6.387) 8.567 2.683 ( -1.637 8.087 -1.405) 8.370 2.801 ( -1.841 5.377 -2.861) 6.363 2.843 ( -1.144 3.325 -2.630) 4.390 2.933 ( -0.379 2.637 2.099) 3.392 2.989 ( 1.721 -4.995 -0.646) 5.323 3.043 ( -2.753 6.540 0.785) 7.139 3.107 ( 0.661 -1.733 -1.009) 2.111 3.166 ( 6.151 1.904 1.070) 6.527 3.332 ( 4.654 2.099 -5.002) 7.148 3.401 ( -4.153 -7.511 4.558) 9.718 3.514 ( 4.360 7.438 -3.938) 9.478 3.635 ( 1.006 -3.219 -6.564) 7.380 3.808 ( 2.996 -4.395 -0.835) 5.384 3.893 ( 1.515 6.543 0.308) 6.723 3.942 ( -1.309 -0.501 -0.451) 1.472 4.035 ( 1.601 -4.375 0.051) 4.658 4.154 ( -1.566 -3.803 -2.157) 4.644 4.165 ( -0.873 -4.554 0.207) 4.642 4.192 ( -2.834 -2.980 0.703) 4.172 4.309 ( 0.897 1.588 -1.637) 2.451 4.402 ( -0.191 -1.597 0.285) 1.633 4.450 ( -2.112 -2.188 -1.092) 3.231 4.569 ( -0.611 -0.334 0.382) 0.794 4.599 ( 2.285 -3.545 0.079) 4.219 4.848 ( -2.827 0.944 -0.113) 2.983 4.881 ( 0.243 0.718 -0.158) 0.774 5.064 ( 0.189 1.352 1.459) 1.998 5.123 ( -0.857 0.793 0.204) 1.185 5.308 ( 0.789 -4.492 3.592) 5.805 5.519 ( 1.572 -3.272 1.408) 3.893 5.589 ( -0.420 -4.624 1.455) 4.866 5.786 ( 0.242 -6.722 -3.672) 7.664 5.828 ( -2.781 -5.896 1.086) 6.609 5.964 ( 0.987 -3.514 4.353) 5.681 6.016 ( -0.958 -4.239 -0.811) 4.421 6.161 ( 7.094 -7.595 11.944) 15.833 6.260 ( 1.118 -2.305 2.856) 3.836 6.378 ( -0.205 -5.920 1.842) 6.204 6.514 ( -2.903 3.622 -5.251) 7.008 6.590 ( -2.818 -1.120 -4.734) 5.622 6.738 ( 1.444 3.556 -4.192) 5.684 6.789 ( 0.170 3.204 -0.119) 3.210 6.892 ( -1.686 -1.679 1.455) 2.789 6.929 ( 0.294 0.929 -0.793) 1.256 7.023 ( 1.980 0.275 -0.973) 2.223 7.137 ( 4.403 1.212 3.133) 5.538 7.203 ( -0.342 1.768 -5.083) 5.392 7.355 ( -3.100 -1.320 -0.502) 3.407 7.419 ( 1.620 1.052 1.260) 2.306 7.469 ( -1.380 0.511 3.754) 4.032 7.625 ( -0.449 -1.475 1.438) 2.109 7.715 ( -1.370 2.713 1.789) 3.526 7.808 ( 1.284 1.738 -1.777) 2.798 7.891 ( -1.930 -0.093 -0.298) 1.955 7.909 ( 2.074 -2.600 -0.816) 3.425 7.993 ( 0.253 -0.249 0.182) 0.399 8.098 ( 1.648 -3.570 -0.177) 3.936 8.109 ( 1.102 -1.109 -0.174) 1.573 8.221 ( -3.739 -2.713 1.441) 4.839 8.293 ( 0.809 1.305 -1.626) 2.237 8.386 ( 2.219 1.529 -0.183) 2.701 8.402 ( -1.761 0.506 0.685) 1.956 8.492 ( 2.400 -1.703 -1.427) 3.270 8.524 ( -1.570 -0.287 -1.976) 2.540 8.656 ( -1.839 -1.394 3.707) 4.367 8.757 ( 2.085 -0.089 0.509) 2.148 8.994 ( -0.146 4.243 -1.776) 4.602 9.053 ( -2.188 2.243 -3.004) 4.341 9.274 ( 1.403 -1.817 2.236) 3.205 9.334 ( -0.265 -1.546 0.509) 1.649 12.878 ( 0.299 12.310 1.330) 12.386 13.152 ( 0.191 7.783 -7.593) 10.875 14.015 ( -0.511 -5.492 2.369) 6.003 14.228 ( 0.827 -9.945 -2.775) 10.358 16.994 ( 0.266 1.619 1.063) 1.955 17.052 ( 0.570 2.486 1.643) 3.034 17.077 ( -1.830 2.244 3.196) 4.312 17.115 ( -1.449 0.203 3.527) 3.819 17.291 ( -3.134 3.541 -3.921) 6.143 17.328 ( -5.029 3.859 -4.704) 7.894 17.479 ( 2.127 1.619 0.544) 2.728 17.574 ( -1.975 2.595 -4.303) 5.399 17.692 ( 5.112 -1.311 5.976) 7.973 17.785 ( -2.913 -5.478 3.216) 6.988 17.929 ( 5.219 -2.761 -2.826) 6.546 17.952 ( 0.038 -5.324 -0.149) 5.326 18.097 ( -0.870 -0.127 -0.193) 0.901 18.122 ( 0.765 0.268 0.096) 0.817 18.139 ( 0.809 -1.928 -1.534) 2.593 18.235 ( 0.100 -1.386 -0.632) 1.526 18.780 ( 0.685 1.858 -0.153) 1.986 18.792 ( 0.031 0.749 -0.361) 0.832 19.010 ( -1.801 -3.699 2.277) 4.703 19.233 ( 3.554 -5.952 -3.271) 7.665 19.483 ( 0.920 2.670 2.399) 3.705 19.669 ( -2.591 -6.294 -2.502) 7.252 19.695 ( -0.849 -2.150 4.744) 5.277 19.913 ( 0.816 -5.802 -1.402) 6.024 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 9.632 17.878 8.670) 22.081 1.443 ( 7.187 17.010 8.939) 20.516 1.509 ( 2.260 5.080 -9.108) 10.671 1.734 ( -4.728 6.532 -12.276) 14.687 1.855 ( 7.157 14.753 13.389) 21.170 2.016 ( -7.675 2.321 -4.461) 9.176 2.151 ( -1.492 1.004 0.310) 1.824 2.287 ( -5.288 4.155 5.906) 8.950 2.441 ( 5.038 4.014 3.146) 7.169 2.564 ( -2.341 9.998 7.622) 12.789 2.643 ( -9.120 1.525 -1.770) 9.415 2.706 ( -3.760 -0.026 4.618) 5.955 2.792 ( 3.821 1.498 -6.396) 7.599 2.852 ( -2.035 -1.078 0.776) 2.431 2.971 ( -3.031 -1.621 0.870) 3.545 3.049 ( 1.078 6.300 -3.377) 7.228 3.187 ( 5.659 0.259 -0.175) 5.667 3.214 ( -6.857 -5.905 2.427) 9.369 3.321 ( 6.386 5.522 -3.688) 9.213 3.381 ( 2.703 3.584 -4.771) 6.550 3.577 ( 4.151 -1.947 -7.205) 8.540 3.627 ( -0.556 0.644 -0.428) 0.952 3.858 ( -5.892 -2.278 -3.494) 7.219 3.895 ( 4.883 2.804 -0.747) 5.680 3.923 ( -0.451 0.896 5.005) 5.105 3.986 ( -1.261 -2.725 -3.877) 4.904 4.067 ( -6.080 -3.548 -2.951) 7.633 4.130 ( 1.915 -5.749 0.832) 6.116 4.243 ( 2.002 2.090 6.232) 6.871 4.333 ( -0.209 -3.439 2.682) 4.367 4.376 ( -0.500 -1.355 -3.069) 3.392 4.417 ( -1.255 -2.841 -1.005) 3.264 4.541 ( -0.669 -0.024 -3.077) 3.149 4.656 ( 2.247 0.420 -0.210) 2.296 4.791 ( -2.201 1.388 0.680) 2.689 4.894 ( 0.000 -0.029 1.691) 1.691 5.034 ( -2.373 -1.315 0.280) 2.728 5.189 ( 4.301 0.836 3.274) 5.470 5.376 ( 2.442 -3.295 3.632) 5.478 5.482 ( -3.656 -5.691 -4.321) 8.027 5.559 ( -1.299 2.302 0.316) 2.662 5.787 ( 0.145 -1.419 -1.624) 2.162 5.863 ( 0.103 -11.335 5.918) 12.787 5.960 ( -0.765 -6.236 -0.928) 6.351 5.997 ( -3.655 -3.619 3.265) 6.093 6.188 ( -6.944 -0.117 -0.943) 7.008 6.378 ( -0.773 2.005 -3.302) 3.940 6.392 ( 1.782 -0.443 -0.928) 2.057 6.435 ( 1.479 -3.839 7.089) 8.196 6.558 ( 1.130 -6.742 3.213) 7.553 6.716 ( 1.534 4.125 -2.614) 5.118 6.795 ( 0.628 -0.154 -2.817) 2.891 6.871 ( -0.998 -7.733 -0.620) 7.822 6.930 ( 0.644 2.013 0.211) 2.124 7.066 ( 3.389 0.314 -0.223) 3.411 7.114 ( -2.961 3.092 -7.366) 8.520 7.240 ( 2.287 0.891 4.056) 4.741 7.303 ( 0.257 -1.181 -1.447) 1.885 7.476 ( 1.656 -1.991 1.542) 3.014 7.510 ( 1.363 2.437 2.694) 3.880 7.610 ( -1.835 -1.608 0.769) 2.558 7.701 ( -1.966 2.075 1.589) 3.271 7.804 ( 0.335 2.716 -2.506) 3.710 7.873 ( 1.142 -0.612 -0.711) 1.478 7.955 ( 1.804 -1.599 0.467) 2.455 8.016 ( 1.715 1.021 0.162) 2.002 8.102 ( -2.605 -0.451 -0.455) 2.683 8.133 ( 1.356 -1.187 -0.299) 1.826 8.166 ( -0.188 -4.224 1.205) 4.396 8.271 ( -1.800 2.576 -0.602) 3.200 8.366 ( -2.725 -0.053 0.415) 2.757 8.428 ( 1.918 1.523 -1.968) 3.142 8.482 ( 0.710 -0.228 -0.836) 1.120 8.552 ( 3.127 -1.880 -0.066) 3.650 8.646 ( -2.329 -1.170 2.462) 3.585 8.790 ( 0.540 -1.005 0.571) 1.276 8.981 ( -0.650 2.786 -1.684) 3.320 8.993 ( 0.065 3.729 -1.269) 3.940 9.312 ( -0.185 -1.946 0.778) 2.104 9.335 ( 0.756 -2.011 0.649) 2.245 12.894 ( -0.559 12.491 1.385) 12.580 13.030 ( -3.691 11.943 -4.741) 13.369 14.049 ( 1.056 -6.158 2.529) 6.740 14.244 ( 3.292 -11.047 -4.171) 12.259 16.993 ( -1.352 -0.374 1.096) 1.780 17.038 ( -3.640 1.322 -0.694) 3.935 17.075 ( -2.033 0.771 5.172) 5.611 17.122 ( -0.694 1.052 4.619) 4.788 17.239 ( 1.379 3.053 -3.356) 4.742 17.304 ( 5.395 2.727 0.729) 6.089 17.488 ( -1.201 1.510 -2.104) 2.855 17.526 ( 0.851 3.628 -2.664) 4.581 17.746 ( -3.630 -5.970 1.566) 7.160 17.767 ( -1.322 -4.515 1.758) 5.022 17.960 ( 0.881 -1.865 0.538) 2.132 17.995 ( 2.782 -0.869 -2.688) 3.965 18.064 ( -1.040 -1.526 0.009) 1.846 18.119 ( -1.111 -0.992 0.760) 1.672 18.150 ( 1.090 -1.354 -0.899) 1.957 18.223 ( -0.169 -1.201 -1.443) 1.885 18.790 ( 0.967 1.046 -0.627) 1.557 18.814 ( 2.208 1.184 0.076) 2.506 18.974 ( -3.658 -3.394 1.652) 5.256 19.208 ( -2.653 -5.181 -2.614) 6.381 19.530 ( -0.672 -2.713 -0.736) 2.891 19.638 ( 3.357 0.677 0.762) 3.508 19.713 ( -2.369 -5.074 2.895) 6.304 19.918 ( 1.280 -3.214 -1.121) 3.637 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 7.741 4.668 -8.908) 12.691 1.502 ( 3.121 16.134 2.760) 16.663 1.620 ( 5.725 2.840 -6.953) 9.444 1.700 ( 1.989 16.538 14.359) 21.992 1.831 ( -0.684 1.863 -4.560) 4.973 2.070 ( -5.571 4.899 3.760) 8.317 2.175 ( -11.225 7.916 5.354) 14.742 2.191 ( 5.067 1.495 5.739) 7.801 2.413 ( -11.988 -5.330 4.962) 14.026 2.544 ( 3.972 2.439 -1.317) 4.844 2.643 ( -3.448 0.197 -4.521) 5.690 2.728 ( 6.191 2.796 10.817) 12.773 2.805 ( 2.008 1.088 0.307) 2.304 2.864 ( -5.120 -4.262 1.010) 6.738 2.981 ( 6.208 5.230 -2.141) 8.395 3.000 ( 2.525 3.683 -0.475) 4.491 3.130 ( -5.545 1.886 -1.528) 6.053 3.268 ( 2.031 0.114 -2.388) 3.137 3.375 ( 3.995 6.701 -8.072) 11.226 3.387 ( 1.407 2.226 -0.406) 2.664 3.496 ( -2.600 -5.982 -8.108) 10.407 3.584 ( -2.873 7.671 2.075) 8.450 3.749 ( 2.330 -3.299 -2.946) 5.000 3.889 ( -3.809 0.972 -1.674) 4.273 3.947 ( 0.151 -4.381 -1.502) 4.634 3.987 ( -2.011 0.851 5.779) 6.177 4.047 ( 5.899 2.002 1.921) 6.519 4.147 ( -1.351 -6.875 -1.513) 7.168 4.265 ( -4.082 -2.429 -2.247) 5.254 4.316 ( -0.135 2.624 1.016) 2.818 4.370 ( -2.069 -2.337 -0.920) 3.254 4.423 ( 3.347 -3.264 4.683) 6.617 4.500 ( 0.170 -1.309 -2.958) 3.239 4.703 ( 3.054 3.047 0.452) 4.337 4.775 ( -1.140 -0.157 2.181) 2.466 4.890 ( -2.023 0.830 0.379) 2.219 5.023 ( -0.776 -0.295 3.355) 3.456 5.291 ( 2.414 1.054 -0.363) 2.659 5.373 ( -3.234 -2.149 -1.575) 4.190 5.477 ( 3.549 -3.819 2.578) 5.816 5.511 ( -0.465 2.070 -2.590) 3.348 5.748 ( -2.269 2.978 -1.549) 4.052 5.907 ( 0.275 -7.901 0.665) 7.933 5.944 ( -5.035 -8.185 6.745) 11.741 5.955 ( 0.545 -5.313 -1.252) 5.485 6.085 ( -4.235 0.980 3.912) 5.848 6.234 ( -3.496 -0.903 -6.396) 7.345 6.411 ( -0.314 -2.741 -1.375) 3.083 6.476 ( -0.324 0.150 -2.408) 2.435 6.691 ( 4.992 -3.261 4.743) 7.619 6.747 ( 1.921 -0.384 2.192) 2.940 6.762 ( -0.593 0.122 -5.302) 5.336 6.859 ( -0.573 -9.480 2.705) 9.875 6.956 ( 0.040 -0.039 -1.253) 1.254 6.968 ( -0.857 1.094 -5.620) 5.790 7.139 ( 2.075 4.164 0.886) 4.736 7.295 ( 2.846 2.258 -2.115) 4.204 7.342 ( 1.344 -2.708 4.158) 5.141 7.493 ( -0.518 -1.699 0.106) 1.779 7.533 ( 0.403 2.777 -2.577) 3.810 7.590 ( -2.163 -0.466 3.290) 3.965 7.682 ( -2.030 0.996 3.038) 3.787 7.785 ( 0.529 3.058 -2.023) 3.704 7.903 ( 2.425 0.138 -1.301) 2.756 7.976 ( 0.164 -1.675 -0.753) 1.844 7.997 ( -2.357 -1.870 -0.673) 3.083 8.092 ( 2.619 2.618 0.438) 3.729 8.173 ( 2.546 -1.553 0.198) 2.989 8.192 ( -0.098 -0.827 -0.065) 0.836 8.236 ( -1.150 1.035 0.874) 1.777 8.297 ( -4.249 -0.036 0.314) 4.261 8.426 ( 0.557 1.776 -1.391) 2.324 8.506 ( 1.767 -0.930 -1.535) 2.519 8.592 ( -0.012 -1.604 0.167) 1.612 8.631 ( 0.015 -0.159 0.403) 0.434 8.787 ( -0.817 -1.394 -0.493) 1.690 8.963 ( 0.394 2.771 0.045) 2.799 9.014 ( 0.863 2.608 2.028) 3.415 9.299 ( -0.552 -1.620 -0.746) 1.867 9.357 ( 0.425 -2.359 0.112) 2.400 12.873 ( -1.511 11.883 -0.040) 11.979 12.966 ( -0.840 13.778 -0.815) 13.827 14.089 ( 0.433 -7.887 2.135) 8.183 14.262 ( 2.589 -10.201 -3.013) 10.947 16.977 ( -0.185 -2.170 -0.298) 2.198 17.010 ( 0.938 -2.460 -0.146) 2.637 17.078 ( -3.264 0.156 5.641) 6.519 17.129 ( -1.838 -0.443 2.695) 3.292 17.307 ( 4.693 2.128 1.092) 5.267 17.409 ( -0.991 1.530 2.377) 2.996 17.418 ( -2.764 0.854 -1.758) 3.385 17.539 ( 4.508 0.810 -0.855) 4.659 17.680 ( -2.748 -7.215 -2.159) 8.017 17.740 ( 0.154 -3.126 -1.550) 3.493 17.941 ( -1.850 0.685 -0.873) 2.157 17.986 ( -1.246 0.884 -0.496) 1.606 18.078 ( 1.446 -2.949 -0.310) 3.299 18.118 ( 0.154 -2.385 0.745) 2.504 18.159 ( 0.444 0.553 -0.354) 0.792 18.202 ( -0.233 -0.444 -1.844) 1.911 18.809 ( 1.651 -0.535 -0.670) 1.860 18.867 ( 2.270 -0.346 0.414) 2.334 18.928 ( -1.311 -0.789 1.033) 1.847 19.098 ( -5.622 -2.107 -2.481) 6.497 19.505 ( 0.690 -4.423 -0.833) 4.553 19.676 ( -3.098 -6.851 2.149) 7.820 19.732 ( 2.453 4.527 2.065) 5.548 19.922 ( 0.395 -0.927 -1.917) 2.165 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -10.217 10.792 -4.173) 15.436 1.605 ( 13.353 -0.985 0.252) 13.392 1.742 ( 9.566 0.574 -3.147) 10.087 1.833 ( -6.313 14.156 9.203) 18.026 1.956 ( 7.350 13.313 4.156) 15.765 2.013 ( -5.804 6.945 10.316) 13.724 2.053 ( -0.227 2.815 8.490) 8.948 2.256 ( -2.167 -4.698 -0.210) 5.178 2.278 ( -6.696 -4.006 6.864) 10.393 2.520 ( -1.201 -1.302 -4.455) 4.794 2.581 ( 1.172 2.245 -6.044) 6.553 2.649 ( -10.699 3.748 -7.866) 13.798 2.762 ( -5.391 -2.775 -0.889) 6.128 2.890 ( -1.820 2.193 -3.555) 4.556 2.944 ( 1.591 -0.074 0.914) 1.836 3.017 ( 3.045 3.222 -3.557) 5.684 3.174 ( -1.766 8.487 -1.425) 8.785 3.250 ( 1.116 1.100 -3.313) 3.665 3.365 ( 3.048 1.920 -1.103) 3.768 3.429 ( 1.871 2.426 0.558) 3.114 3.481 ( 9.241 -2.518 0.069) 9.579 3.625 ( 1.937 7.044 5.050) 8.881 3.777 ( -1.088 -4.177 0.195) 4.320 3.867 ( 1.677 -0.656 -0.758) 1.954 3.942 ( -4.081 -1.781 -1.730) 4.777 3.991 ( 4.332 -0.924 0.753) 4.493 4.084 ( -0.879 -2.032 -0.158) 2.220 4.149 ( 0.716 -2.205 1.869) 2.978 4.196 ( 0.191 3.371 -1.817) 3.834 4.321 ( -0.944 -1.596 1.632) 2.470 4.341 ( 0.212 -1.419 -0.450) 1.504 4.490 ( -1.194 -1.073 3.481) 3.834 4.507 ( 2.322 -2.730 0.224) 3.591 4.753 ( 0.287 1.028 -0.372) 1.130 4.779 ( -1.426 -1.018 1.725) 2.459 4.834 ( -1.896 0.938 -0.823) 2.270 5.061 ( 0.240 2.051 5.250) 5.642 5.223 ( -3.031 5.923 -6.371) 9.212 5.353 ( 2.019 -0.329 1.249) 2.397 5.506 ( -2.954 -5.388 -0.726) 6.188 5.560 ( 3.522 -0.758 2.256) 4.251 5.743 ( 2.894 2.637 1.693) 4.266 5.839 ( -5.990 -7.882 -1.490) 10.011 5.899 ( -2.175 -5.890 -0.957) 6.351 5.978 ( 1.381 -5.093 1.279) 5.430 6.090 ( -1.607 -2.322 4.428) 5.252 6.248 ( 7.079 0.442 4.917) 8.630 6.307 ( -2.053 -5.399 -11.902) 13.230 6.459 ( -1.422 -0.143 -0.744) 1.611 6.621 ( -4.334 -3.711 -6.881) 8.939 6.789 ( 0.454 1.852 3.288) 3.801 6.828 ( 2.318 -1.993 0.534) 3.103 6.899 ( 1.084 -6.126 2.500) 6.704 6.908 ( 0.281 2.629 1.081) 2.856 6.991 ( 2.930 -1.206 -2.988) 4.355 7.135 ( -1.774 4.566 -1.577) 5.146 7.324 ( 1.215 2.979 -1.790) 3.681 7.385 ( -1.217 -3.396 4.292) 5.607 7.486 ( -1.795 2.760 -1.671) 3.692 7.498 ( 1.717 -0.866 -1.762) 2.608 7.584 ( -1.966 0.651 3.301) 3.896 7.697 ( 0.009 -0.109 3.865) 3.866 7.788 ( 1.234 3.241 -1.207) 3.672 7.928 ( 1.068 -1.413 -0.708) 1.908 7.943 ( -0.282 -0.714 -2.533) 2.647 7.984 ( -0.167 -0.715 -0.047) 0.736 8.144 ( -1.658 2.785 1.416) 3.537 8.154 ( 1.519 0.266 -0.951) 1.812 8.201 ( -2.541 -0.807 -1.702) 3.163 8.237 ( 2.253 0.382 1.331) 2.644 8.258 ( -0.516 -1.983 1.202) 2.375 8.435 ( 1.820 0.410 -1.895) 2.660 8.513 ( 0.353 -0.245 -0.122) 0.446 8.570 ( -1.117 -1.063 -0.446) 1.605 8.637 ( 0.118 -0.083 -0.630) 0.646 8.754 ( -0.960 -1.306 -2.164) 2.704 8.993 ( 1.122 2.124 2.422) 3.411 9.051 ( -0.135 2.462 3.151) 4.001 9.286 ( 0.224 -1.429 -0.903) 1.705 9.349 ( -0.642 -2.148 -1.199) 2.542 12.867 ( 0.454 11.857 0.832) 11.895 12.949 ( 0.148 13.682 -1.097) 13.726 14.106 ( -1.290 -7.905 2.365) 8.351 14.287 ( 2.714 -11.548 -1.744) 11.991 16.993 ( 1.245 -2.444 1.421) 3.089 17.041 ( 0.318 -2.475 1.591) 2.959 17.066 ( -3.151 -0.282 4.857) 5.797 17.131 ( -0.090 -1.361 1.734) 2.207 17.294 ( -3.624 -0.645 -4.432) 5.762 17.302 ( -4.119 -1.102 -1.730) 4.602 17.451 ( 2.753 1.624 0.834) 3.304 17.598 ( 0.196 -3.418 -3.749) 5.077 17.679 ( 3.892 -1.269 3.618) 5.464 17.755 ( 0.538 -2.638 1.592) 3.127 17.929 ( 1.547 0.782 0.445) 1.790 17.956 ( -1.280 1.375 -0.752) 2.023 18.078 ( -0.067 -1.634 -3.035) 3.448 18.115 ( -0.128 -2.700 -2.016) 3.372 18.161 ( 0.253 1.016 0.261) 1.080 18.188 ( 0.077 -0.924 -0.387) 1.005 18.840 ( 1.760 -1.686 0.125) 2.441 18.860 ( -2.229 -2.532 0.914) 3.495 18.969 ( -4.714 0.818 -1.604) 5.046 18.993 ( 5.864 0.447 -0.924) 5.954 19.550 ( 2.655 -3.634 2.440) 5.120 19.662 ( -1.206 -6.795 3.342) 7.668 19.730 ( -2.671 4.134 -1.447) 5.130 19.908 ( 0.788 -0.500 -2.586) 2.750 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -8.619 13.919 -4.249) 16.914 1.516 ( -20.899 14.477 -4.093) 25.751 1.743 ( 0.177 -6.701 2.499) 7.154 1.925 ( 3.830 0.646 -0.827) 3.972 2.048 ( -10.198 18.352 7.603) 22.329 2.102 ( -1.804 0.907 6.177) 6.499 2.149 ( -1.462 1.888 3.476) 4.217 2.244 ( 3.560 5.086 10.555) 12.245 2.352 ( 4.113 4.422 1.441) 6.209 2.379 ( 10.506 2.215 -0.302) 10.741 2.553 ( -1.483 1.785 -1.228) 2.625 2.597 ( 2.172 0.592 0.980) 2.455 2.711 ( 6.400 -3.322 -4.266) 8.378 2.894 ( 0.934 4.821 2.286) 5.416 2.922 ( 0.700 0.484 -3.459) 3.562 3.037 ( 0.853 -4.168 -3.088) 5.257 3.088 ( -0.819 8.426 -3.708) 9.242 3.261 ( -0.064 -4.021 -1.018) 4.148 3.351 ( 0.156 2.059 -5.559) 5.931 3.455 ( 2.850 9.046 -2.703) 9.862 3.569 ( -8.736 0.446 2.312) 9.048 3.700 ( 2.889 -1.548 0.837) 3.383 3.805 ( 5.212 4.257 2.667) 7.239 3.880 ( -0.077 -2.511 0.505) 2.563 3.904 ( 4.157 -6.630 -4.207) 8.884 4.053 ( 0.508 2.711 -3.082) 4.136 4.087 ( -1.441 -5.466 -2.273) 6.093 4.125 ( 1.923 1.938 1.752) 3.244 4.214 ( -1.269 0.995 -0.339) 1.648 4.296 ( -2.967 -5.421 4.317) 7.538 4.384 ( 2.706 0.125 0.484) 2.752 4.496 ( -0.686 0.580 4.046) 4.145 4.567 ( 2.364 -2.449 0.899) 3.521 4.668 ( -5.250 0.472 -2.320) 5.759 4.780 ( 0.759 0.188 1.454) 1.650 4.845 ( 2.381 -1.284 -0.387) 2.733 5.100 ( -1.919 3.808 0.581) 4.303 5.140 ( -0.110 6.201 0.249) 6.207 5.376 ( -5.150 -3.524 -0.922) 6.308 5.505 ( 6.894 -3.491 4.867) 9.132 5.606 ( -2.619 -3.027 1.787) 4.383 5.682 ( -4.442 -5.557 -4.768) 8.564 5.826 ( 0.714 -3.138 2.244) 3.923 5.898 ( 3.651 -5.910 0.049) 6.947 6.025 ( 1.038 -3.853 2.894) 4.929 6.147 ( -0.234 -4.274 -6.528) 7.806 6.162 ( 1.965 -6.205 -0.718) 6.548 6.313 ( -4.675 -3.991 -9.196) 11.061 6.485 ( 8.186 1.393 7.193) 10.986 6.566 ( -0.713 -0.226 3.864) 3.936 6.751 ( -1.603 0.830 -4.574) 4.917 6.876 ( 0.950 3.092 2.000) 3.803 6.917 ( -0.195 -1.035 -1.179) 1.581 6.937 ( -1.125 3.021 3.389) 4.677 7.017 ( 1.113 -1.690 -3.337) 3.903 7.077 ( 0.103 2.152 -3.593) 4.190 7.308 ( -0.881 -0.174 0.961) 1.316 7.362 ( -4.188 4.960 -0.513) 6.512 7.448 ( -0.045 -1.072 0.303) 1.114 7.522 ( 0.520 -0.852 -0.553) 1.142 7.581 ( -1.254 0.173 2.546) 2.844 7.734 ( -1.186 1.483 3.624) 4.092 7.802 ( 1.720 2.669 -1.587) 3.550 7.899 ( -1.475 -3.382 -0.853) 3.787 7.947 ( 1.324 1.704 -1.259) 2.499 7.991 ( 1.446 -3.983 -0.471) 4.263 8.094 ( -3.107 1.179 -0.069) 3.324 8.134 ( -2.039 -1.596 -1.686) 3.090 8.200 ( 1.510 0.296 1.695) 2.289 8.263 ( 0.417 -0.908 1.506) 1.807 8.300 ( 2.982 0.606 -0.609) 3.103 8.441 ( 1.659 -1.569 -3.398) 4.094 8.508 ( -1.480 0.254 -0.229) 1.519 8.579 ( 1.262 0.067 2.725) 3.004 8.622 ( -1.602 -1.695 0.532) 2.392 8.717 ( 0.456 -0.017 -3.513) 3.542 9.041 ( 0.310 1.563 2.559) 3.015 9.063 ( -0.507 3.214 1.919) 3.777 9.286 ( -0.299 -1.799 -0.591) 1.917 9.317 ( -0.414 -1.287 -1.334) 1.900 12.879 ( -0.399 12.348 0.094) 12.355 12.983 ( 5.148 12.529 -0.491) 13.554 14.077 ( -3.423 -6.487 1.412) 7.470 14.323 ( 1.789 -14.762 -1.456) 14.942 17.012 ( -2.330 0.339 -0.225) 2.365 17.040 ( 0.481 0.248 1.946) 2.020 17.071 ( -2.901 -0.126 5.853) 6.534 17.142 ( -2.900 -0.506 4.234) 5.157 17.238 ( 2.416 -1.710 -2.082) 3.619 17.267 ( 4.317 -1.480 -1.072) 4.688 17.480 ( 0.472 1.597 -1.271) 2.095 17.560 ( -0.100 0.095 -3.797) 3.799 17.753 ( -2.245 -1.640 2.554) 3.776 17.777 ( -0.279 -2.312 4.259) 4.854 17.926 ( -0.011 -1.183 -1.505) 1.915 17.982 ( 2.239 0.123 -1.540) 2.720 18.038 ( 1.842 0.119 -4.589) 4.946 18.086 ( 0.122 -1.866 -2.462) 3.092 18.163 ( -0.658 -0.724 0.451) 1.077 18.204 ( 1.305 -1.172 0.655) 1.872 18.815 ( -2.121 -1.363 -0.464) 2.564 18.852 ( -2.169 0.264 0.217) 2.196 18.927 ( 1.909 -0.977 0.827) 2.298 19.095 ( 5.952 -1.241 -2.482) 6.568 19.580 ( -3.526 1.648 -0.112) 3.894 19.684 ( 1.746 -3.094 1.372) 3.808 19.692 ( -0.816 -6.030 3.562) 7.051 19.894 ( 0.825 -2.091 -3.046) 3.786 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -9.806 17.799 -0.674) 20.333 1.153 ( -5.555 22.862 -4.833) 24.018 1.717 ( -9.574 13.688 10.977) 19.988 1.822 ( -8.511 7.491 -1.678) 11.462 1.953 ( 0.477 3.423 -1.144) 3.641 2.136 ( 4.079 -5.671 2.589) 7.450 2.233 ( -2.514 0.517 6.332) 6.832 2.336 ( -0.400 -1.233 1.672) 2.115 2.378 ( 0.708 7.821 -0.733) 7.887 2.496 ( -3.003 8.782 1.850) 9.464 2.703 ( 12.315 8.104 2.187) 14.904 2.751 ( 6.758 3.381 1.887) 7.789 2.793 ( 1.930 3.394 -0.301) 3.916 2.896 ( 0.119 4.761 0.183) 4.766 2.943 ( 2.557 -3.851 -0.648) 4.668 3.002 ( -0.249 3.146 -2.001) 3.737 3.111 ( 0.152 -3.449 3.882) 5.195 3.218 ( -0.887 -1.219 -2.392) 2.828 3.290 ( 2.630 -0.693 -8.913) 9.319 3.407 ( -5.918 1.542 1.177) 6.228 3.491 ( 2.679 7.946 -1.528) 8.524 3.716 ( 0.210 -3.764 -5.123) 6.361 3.835 ( -2.313 1.344 -2.786) 3.863 3.874 ( -1.281 1.081 0.756) 1.839 3.963 ( 3.376 -3.421 -0.141) 4.808 3.998 ( 0.552 -2.415 -4.358) 5.013 4.093 ( 2.790 -1.934 -0.329) 3.410 4.183 ( -1.257 -2.509 3.569) 4.540 4.204 ( 5.533 -1.590 -2.771) 6.389 4.313 ( -1.470 -2.930 3.406) 4.727 4.391 ( -0.316 -0.038 -0.149) 0.351 4.521 ( -2.601 0.725 -0.631) 2.773 4.572 ( -0.383 -1.441 -1.156) 1.887 4.589 ( -1.232 -3.997 2.387) 4.816 4.839 ( 1.771 -0.395 2.646) 3.208 4.888 ( 1.070 -0.375 -0.143) 1.143 5.052 ( -1.015 5.015 -0.272) 5.124 5.154 ( -0.499 2.169 -0.365) 2.255 5.286 ( -2.877 -4.654 2.332) 5.947 5.501 ( -3.653 -3.287 -0.915) 4.998 5.590 ( -1.003 -4.783 -0.573) 4.920 5.772 ( 8.366 -3.343 8.147) 12.146 5.836 ( 0.114 -3.873 -1.408) 4.122 5.949 ( -0.782 -8.790 -2.207) 9.097 6.027 ( -4.750 -4.923 1.239) 6.952 6.041 ( 0.502 -5.635 -2.778) 6.302 6.180 ( 2.962 -2.356 1.299) 4.001 6.313 ( 4.103 -7.640 1.825) 8.862 6.604 ( -2.054 1.764 2.545) 3.716 6.639 ( 2.965 5.161 -1.643) 6.175 6.705 ( 3.110 -1.866 -3.711) 5.189 6.848 ( -3.653 5.483 -0.472) 6.606 6.917 ( -1.828 2.195 1.235) 3.112 6.934 ( -0.312 0.628 -0.069) 0.705 6.974 ( 2.028 1.688 -2.070) 3.353 7.073 ( 1.306 -0.276 -1.388) 1.926 7.265 ( -2.467 4.370 -2.747) 5.721 7.346 ( 1.526 -1.794 2.025) 3.106 7.436 ( -1.925 2.057 0.078) 2.818 7.494 ( -3.155 -1.089 1.392) 3.617 7.599 ( 0.711 -0.594 1.946) 2.155 7.725 ( -2.047 2.427 2.425) 3.995 7.808 ( 0.824 2.180 -2.140) 3.164 7.884 ( -0.081 -4.662 0.597) 4.701 7.945 ( -0.260 2.575 -2.438) 3.556 7.999 ( -1.416 -3.283 0.879) 3.682 8.067 ( 1.974 -1.940 -1.120) 2.986 8.100 ( -0.436 -3.295 -0.314) 3.338 8.237 ( 0.064 -1.026 1.986) 2.237 8.286 ( 1.251 -0.120 -0.977) 1.592 8.345 ( 2.011 1.932 0.388) 2.816 8.431 ( -1.124 0.104 -0.071) 1.131 8.477 ( 0.912 -1.609 -3.031) 3.551 8.582 ( -2.468 -1.235 -0.564) 2.816 8.635 ( -0.097 -0.748 4.484) 4.547 8.716 ( 2.250 0.630 -1.693) 2.885 9.024 ( -1.262 3.783 -1.087) 4.133 9.093 ( 0.016 1.752 0.836) 1.941 9.253 ( -0.858 -1.638 -0.469) 1.907 9.325 ( 0.488 -1.212 0.701) 1.483 12.869 ( -0.280 12.185 0.168) 12.190 13.111 ( 8.270 9.431 -2.872) 12.868 14.028 ( -2.688 -5.807 1.437) 6.559 14.291 ( -2.778 -13.457 -2.858) 14.035 16.983 ( 0.125 1.604 -0.716) 1.761 17.038 ( 0.359 2.429 -1.285) 2.772 17.081 ( -2.085 1.207 4.618) 5.209 17.113 ( -3.518 -0.367 4.705) 5.886 17.325 ( 3.581 1.742 0.054) 3.982 17.419 ( 4.039 0.109 7.380) 8.414 17.447 ( -1.038 2.051 -2.337) 3.278 17.525 ( 1.870 -0.085 -1.726) 2.546 17.679 ( -3.545 1.883 -3.978) 5.651 17.794 ( -2.296 -5.077 4.719) 7.301 17.904 ( 1.072 -2.819 -5.342) 6.135 17.966 ( 0.198 -2.820 -2.219) 3.594 18.077 ( 2.982 0.287 -0.821) 3.106 18.093 ( 1.833 -0.870 -0.526) 2.096 18.152 ( -0.585 -1.322 -0.226) 1.464 18.230 ( 0.682 -0.929 0.232) 1.176 18.782 ( -0.574 0.263 -0.743) 0.974 18.810 ( -1.719 1.388 0.015) 2.209 18.989 ( 1.547 -2.915 2.356) 4.055 19.169 ( 5.484 -2.454 -3.632) 7.021 19.501 ( -2.978 1.503 -0.437) 3.364 19.692 ( -2.522 -3.641 3.103) 5.408 19.717 ( -1.061 -5.560 1.059) 5.759 19.899 ( 2.036 -5.185 -1.556) 5.784 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 4.203 20.151 8.763) 22.372 1.640 ( -3.446 9.303 -4.883) 11.057 1.743 ( 9.214 20.148 -7.376) 23.351 2.003 ( 3.629 1.129 4.751) 6.084 2.077 ( 3.658 -3.782 0.710) 5.309 2.154 ( -7.445 8.705 1.932) 11.616 2.274 ( -4.813 7.046 7.050) 11.069 2.334 ( -3.581 0.257 2.927) 4.632 2.438 ( -5.580 7.324 0.369) 9.214 2.605 ( 1.782 -1.490 0.420) 2.361 2.733 ( -0.218 -4.047 -0.848) 4.141 2.797 ( -4.799 -1.553 -2.542) 5.648 2.896 ( -5.916 2.611 -3.107) 7.174 2.922 ( 0.344 1.240 -0.949) 1.599 3.033 ( 0.134 5.234 -0.102) 5.237 3.109 ( 3.143 -2.423 1.173) 4.138 3.179 ( 4.273 2.907 2.038) 5.555 3.252 ( -5.216 3.839 0.446) 6.492 3.313 ( 4.443 4.320 -3.782) 7.260 3.382 ( 7.153 3.574 -1.161) 8.080 3.502 ( 3.079 -5.084 -5.648) 8.199 3.650 ( 0.327 3.701 -4.637) 5.942 3.723 ( -2.893 -6.004 5.060) 8.368 3.894 ( 1.002 -3.039 0.695) 3.274 3.955 ( 1.095 -3.078 0.342) 3.285 4.015 ( 0.725 1.670 0.792) 1.986 4.085 ( -3.922 -1.332 1.457) 4.390 4.122 ( -1.524 3.990 1.667) 4.585 4.188 ( -0.299 0.915 -2.590) 2.763 4.318 ( 0.683 -5.982 -2.226) 6.419 4.332 ( 2.040 -2.924 -1.680) 3.942 4.385 ( -7.001 -1.175 2.111) 7.406 4.516 ( 2.656 -3.131 0.286) 4.116 4.603 ( 0.822 3.532 -0.499) 3.660 4.813 ( -0.700 -4.319 0.146) 4.378 4.863 ( -0.059 -2.401 -0.599) 2.476 5.121 ( -2.833 1.985 -1.904) 3.948 5.138 ( 1.443 2.563 -1.367) 3.244 5.230 ( 0.884 -2.610 3.463) 4.426 5.422 ( 0.397 -5.563 -2.043) 5.940 5.499 ( 3.324 -4.688 4.214) 7.126 5.644 ( -4.685 -7.022 -1.949) 8.663 5.730 ( -1.021 -2.810 -1.023) 3.160 5.926 ( 1.650 -3.526 -3.423) 5.184 5.937 ( 0.133 -0.769 7.717) 7.757 6.022 ( 8.090 -4.537 10.612) 14.094 6.171 ( 1.719 -5.667 2.223) 6.326 6.241 ( 1.865 -6.636 9.151) 11.457 6.543 ( -6.666 0.874 -5.323) 8.575 6.642 ( -2.635 3.781 -7.893) 9.140 6.749 ( 2.630 -0.171 -3.976) 4.771 6.879 ( -1.703 1.703 -2.270) 3.310 6.927 ( -3.079 5.830 -0.937) 6.659 6.964 ( -0.706 2.491 0.303) 2.607 7.027 ( 2.552 -0.871 -3.878) 4.723 7.187 ( 6.247 3.113 -1.024) 7.054 7.230 ( -1.205 0.968 -1.582) 2.212 7.315 ( -3.103 -1.998 0.257) 3.699 7.441 ( -0.941 0.605 -1.409) 1.799 7.513 ( 1.095 2.914 1.504) 3.458 7.587 ( -1.265 -1.976 1.731) 2.916 7.731 ( -1.190 -1.199 2.245) 2.809 7.833 ( 0.565 0.014 -0.534) 0.777 7.857 ( 2.427 -0.250 1.755) 3.006 7.894 ( 0.295 -0.164 -1.556) 1.592 7.993 ( 1.402 -0.394 -0.292) 1.485 8.023 ( 1.556 -2.887 2.301) 4.006 8.101 ( -0.421 -0.972 2.906) 3.093 8.171 ( -3.213 -0.680 0.027) 3.284 8.324 ( 1.293 1.601 -2.332) 3.111 8.385 ( 0.945 -1.963 -0.130) 2.183 8.405 ( -1.194 -0.394 -0.597) 1.392 8.476 ( 1.361 0.582 0.545) 1.577 8.524 ( -0.976 -0.016 -0.121) 0.984 8.650 ( -1.421 0.842 1.985) 2.582 8.749 ( 1.430 -0.777 -0.198) 1.640 9.071 ( -0.470 3.130 -1.470) 3.490 9.103 ( -0.913 2.584 -2.853) 3.956 9.236 ( 0.843 -1.764 1.937) 2.752 9.297 ( -0.297 -2.043 -0.117) 2.068 13.152 ( 0.570 14.134 1.061) 14.185 13.305 ( -0.049 7.772 -2.929) 8.306 13.872 ( -0.393 -8.355 1.739) 8.543 14.000 ( 0.416 -12.122 -1.342) 12.203 17.024 ( -1.866 1.002 2.641) 3.386 17.068 ( -2.849 -0.564 5.018) 5.797 17.125 ( 1.565 3.352 0.367) 3.718 17.174 ( 1.696 5.026 -0.521) 5.330 17.351 ( -3.865 1.373 -4.583) 6.150 17.400 ( -4.902 2.477 -3.163) 6.338 17.497 ( 3.223 -0.142 0.585) 3.279 17.586 ( 0.251 -1.242 0.273) 1.297 17.671 ( -1.746 -3.322 2.648) 4.594 17.675 ( -0.754 -2.508 2.924) 3.926 17.844 ( 2.719 -1.907 0.467) 3.353 17.920 ( 5.352 -0.568 -5.413) 7.634 18.094 ( 1.426 -0.191 -1.483) 2.066 18.109 ( -0.053 -0.982 -1.190) 1.543 18.135 ( -0.726 0.955 0.123) 1.206 18.210 ( -0.254 -1.108 -1.104) 1.585 18.799 ( 0.619 0.613 0.195) 0.893 18.823 ( -0.434 1.742 0.169) 1.803 18.938 ( -1.486 -3.198 1.091) 3.692 19.104 ( 1.791 -6.327 -2.333) 6.977 19.518 ( -3.323 -2.364 1.430) 4.322 19.570 ( 2.202 -0.310 -0.030) 2.224 19.625 ( -1.887 -4.038 3.532) 5.687 19.807 ( 2.216 -4.221 -0.977) 4.867 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -4.319 3.437 -4.406) 7.062 1.618 ( 10.487 16.954 10.098) 22.347 1.895 ( -6.226 7.939 -13.006) 16.460 1.920 ( 9.473 17.475 -1.209) 19.914 1.997 ( -6.326 5.333 -0.208) 8.277 2.149 ( -1.468 0.319 3.584) 3.886 2.216 ( -6.060 5.707 0.993) 8.383 2.333 ( -0.683 0.854 8.565) 8.634 2.490 ( -0.243 2.852 9.632) 10.048 2.568 ( -6.729 -5.627 -3.964) 9.625 2.699 ( 0.866 -6.445 -0.271) 6.509 2.737 ( 1.168 1.907 1.970) 2.980 2.776 ( -2.547 4.041 0.988) 4.878 2.871 ( -10.235 7.395 3.107) 13.003 2.940 ( -4.268 -0.362 0.814) 4.360 3.083 ( 1.407 -4.328 -3.558) 5.776 3.202 ( -0.191 3.989 1.157) 4.157 3.315 ( 5.153 8.853 -0.341) 10.249 3.374 ( 6.167 0.200 -6.521) 8.978 3.452 ( -0.832 -0.146 -4.565) 4.642 3.562 ( 3.607 6.517 -8.427) 11.247 3.630 ( 9.429 -3.457 -1.330) 10.131 3.779 ( -2.725 -7.024 7.958) 10.958 3.868 ( -4.119 -0.800 0.187) 4.200 3.959 ( -1.125 3.426 -0.662) 3.666 4.004 ( -1.163 -2.166 -1.728) 3.005 4.041 ( -2.173 0.091 0.457) 2.222 4.082 ( 1.209 7.157 0.989) 7.325 4.235 ( 1.023 -2.971 5.105) 5.994 4.253 ( -3.594 -7.564 -1.877) 8.583 4.319 ( -1.800 -4.072 2.256) 4.991 4.349 ( 1.439 -1.871 -3.363) 4.109 4.551 ( 0.104 -0.821 -1.444) 1.664 4.647 ( 4.001 1.525 -0.110) 4.283 4.780 ( -1.909 -2.778 -0.277) 3.382 4.880 ( 1.776 -1.307 1.127) 2.476 5.042 ( -2.192 2.549 -2.465) 4.169 5.199 ( 4.978 -0.248 -0.342) 4.996 5.301 ( 2.535 -2.941 3.568) 5.273 5.357 ( -2.127 -5.814 -3.356) 7.041 5.569 ( -1.860 -3.410 -0.688) 3.944 5.643 ( 2.921 -9.181 4.181) 10.503 5.724 ( 0.479 -2.105 2.024) 2.959 5.892 ( -0.484 -3.276 -2.741) 4.299 5.972 ( -3.327 3.237 4.887) 6.740 6.199 ( -1.694 0.389 1.936) 2.601 6.321 ( 4.980 -4.248 11.219) 12.989 6.354 ( -0.995 -1.633 -2.272) 2.970 6.398 ( 1.491 -7.654 8.339) 11.417 6.483 ( -2.379 3.912 -9.648) 10.679 6.699 ( -1.641 -4.161 -7.528) 8.756 6.833 ( -1.916 3.297 -0.909) 3.920 6.840 ( -1.519 2.711 -5.317) 6.158 6.957 ( -1.076 0.266 1.899) 2.198 7.027 ( 0.507 -1.964 -4.093) 4.568 7.216 ( 0.205 4.676 -0.792) 4.747 7.256 ( 1.388 -2.249 -1.073) 2.853 7.285 ( 1.907 2.265 1.214) 3.200 7.438 ( 1.929 -1.556 -1.303) 2.800 7.549 ( 0.443 -1.970 -2.590) 3.284 7.590 ( 0.162 2.678 5.149) 5.807 7.726 ( -1.897 0.402 2.411) 3.094 7.850 ( 2.228 0.196 -1.872) 2.917 7.857 ( -1.232 0.927 -0.048) 1.543 7.940 ( 2.698 -0.560 -0.213) 2.764 8.002 ( -2.242 -2.194 -0.004) 3.137 8.076 ( 0.880 -2.574 1.620) 3.166 8.117 ( 2.702 0.508 2.239) 3.546 8.152 ( 0.808 3.217 -0.147) 3.320 8.312 ( -0.721 1.102 -1.484) 1.984 8.351 ( -2.472 -1.361 -0.031) 2.822 8.429 ( 1.875 -1.732 0.252) 2.565 8.498 ( 0.062 1.242 -1.008) 1.601 8.517 ( 1.441 -0.734 0.565) 1.713 8.637 ( -1.981 0.462 2.030) 2.873 8.762 ( 0.050 -1.676 -0.302) 1.704 9.045 ( -0.670 3.325 -1.150) 3.581 9.071 ( 0.180 3.690 -1.732) 4.080 9.266 ( 0.135 -2.525 1.039) 2.734 9.288 ( 0.071 -2.552 -0.186) 2.560 13.163 ( -1.173 13.243 0.373) 13.300 13.261 ( -0.577 11.213 -1.757) 11.364 13.882 ( -0.442 -9.963 1.049) 10.028 14.018 ( 2.560 -11.150 -0.987) 11.483 16.997 ( -2.715 0.760 1.011) 2.995 17.062 ( -3.726 0.272 3.257) 4.956 17.084 ( -5.911 0.882 -0.477) 5.995 17.139 ( -3.123 0.490 3.317) 4.583 17.313 ( 1.078 3.766 -1.964) 4.382 17.365 ( 4.301 3.084 2.202) 5.732 17.503 ( -1.549 -0.043 -1.863) 2.423 17.578 ( -0.611 1.365 -1.148) 1.885 17.622 ( -3.791 -5.357 1.281) 6.686 17.662 ( -0.957 -5.010 -0.659) 5.143 17.944 ( 4.149 0.289 0.391) 4.177 17.984 ( 4.384 -0.166 -3.395) 5.548 18.047 ( -2.210 -0.403 -1.699) 2.817 18.099 ( -1.644 -1.014 -1.355) 2.359 18.141 ( 2.150 0.442 0.308) 2.216 18.205 ( 0.666 -0.804 -0.622) 1.216 18.793 ( -0.741 -0.346 0.163) 0.834 18.836 ( 0.321 0.213 0.634) 0.742 18.911 ( -1.222 -1.992 0.496) 2.389 19.097 ( -0.493 -5.454 -1.934) 5.808 19.446 ( -3.263 -3.834 -0.516) 5.061 19.584 ( -3.668 -6.662 2.154) 7.904 19.693 ( 6.215 3.286 2.059) 7.325 19.864 ( 3.891 -2.181 -0.683) 4.513 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 1.613 0.048 -4.966) 5.221 1.746 ( 3.019 7.719 -8.036) 11.544 1.805 ( -3.438 8.541 -7.100) 11.627 1.899 ( 8.111 9.739 2.097) 12.847 2.027 ( -9.026 1.300 8.579) 12.521 2.112 ( -3.072 -1.734 5.625) 6.639 2.145 ( -2.401 5.616 1.900) 6.396 2.262 ( -7.342 1.514 3.773) 8.392 2.501 ( 1.227 4.915 1.457) 5.271 2.581 ( -4.279 7.465 2.490) 8.958 2.663 ( -6.000 -0.498 -0.065) 6.021 2.692 ( -5.041 -1.122 0.429) 5.182 2.714 ( 0.646 -6.172 3.574) 7.161 2.861 ( 1.876 1.040 2.682) 3.434 3.069 ( 11.353 6.621 9.964) 16.493 3.132 ( 4.165 -0.353 -2.463) 4.851 3.191 ( 0.578 0.812 -2.694) 2.872 3.260 ( -6.625 1.327 -7.585) 10.157 3.393 ( 2.055 -0.397 -6.261) 6.601 3.410 ( 2.147 3.454 -7.614) 8.633 3.529 ( -0.218 3.176 -2.932) 4.328 3.677 ( -1.160 0.345 -1.887) 2.242 3.788 ( 2.086 5.311 1.181) 5.827 3.894 ( -0.024 -1.882 8.599) 8.803 3.928 ( -1.573 2.853 -0.316) 3.273 3.960 ( -1.853 -2.420 -2.757) 4.111 4.004 ( -1.166 0.114 1.599) 1.982 4.138 ( -0.143 4.631 3.710) 5.935 4.205 ( 1.575 -5.063 -0.980) 5.392 4.290 ( -0.833 -3.719 -1.094) 3.965 4.324 ( 0.251 -4.487 2.035) 4.933 4.342 ( -0.322 -3.397 4.703) 5.811 4.520 ( 0.239 2.795 -2.718) 3.906 4.708 ( 1.998 -2.564 -0.672) 3.319 4.763 ( 0.327 -0.648 0.317) 0.792 4.900 ( -0.118 -0.211 -3.202) 3.211 5.027 ( 0.251 1.538 4.109) 4.395 5.297 ( 4.680 -0.847 -0.289) 4.765 5.315 ( 0.375 -2.996 -0.977) 3.173 5.397 ( 3.902 -3.171 2.225) 5.498 5.502 ( -2.254 -3.095 -3.880) 5.451 5.677 ( 0.064 -8.751 -0.289) 8.756 5.785 ( 0.400 -3.995 2.256) 4.606 5.846 ( -3.918 -3.802 1.147) 5.579 5.914 ( -1.645 4.144 -3.850) 5.891 6.130 ( -4.578 3.778 5.684) 8.218 6.267 ( -2.428 1.501 -9.845) 10.251 6.350 ( -0.633 -1.695 -2.094) 2.767 6.468 ( 0.594 -0.408 -1.200) 1.400 6.600 ( 3.826 -5.072 9.325) 11.284 6.653 ( 1.767 -6.923 2.786) 7.669 6.753 ( -0.778 -1.847 -6.847) 7.134 6.800 ( -1.288 2.152 1.482) 2.913 6.956 ( -1.383 -1.502 1.750) 2.689 6.970 ( -0.825 1.781 -1.592) 2.528 7.253 ( 2.243 3.413 1.973) 4.536 7.264 ( -0.031 -1.903 -1.359) 2.339 7.346 ( 3.537 1.777 -0.146) 3.961 7.448 ( 0.501 -2.139 -2.237) 3.136 7.533 ( 1.150 -1.874 -1.558) 2.695 7.639 ( -0.885 4.099 3.635) 5.550 7.708 ( -2.603 1.582 2.721) 4.085 7.830 ( 0.425 1.051 -2.423) 2.675 7.865 ( -0.230 -2.511 -0.585) 2.589 7.960 ( 0.434 -1.569 -1.017) 1.919 7.970 ( 1.330 -0.277 -0.720) 1.537 8.141 ( 3.418 -0.128 -0.404) 3.444 8.160 ( 1.122 1.812 -1.094) 2.396 8.186 ( 1.713 2.581 1.074) 3.278 8.276 ( -1.900 0.542 -0.005) 1.975 8.294 ( -3.961 0.546 1.414) 4.241 8.463 ( 1.518 -2.484 -0.429) 2.942 8.479 ( -0.774 2.341 -1.009) 2.664 8.557 ( 0.970 -1.677 0.580) 2.023 8.627 ( 0.014 -0.107 0.735) 0.743 8.742 ( -1.233 -2.597 -1.160) 3.100 9.034 ( 0.039 3.866 0.281) 3.877 9.075 ( 0.764 3.217 0.720) 3.384 9.258 ( -0.419 -2.276 -0.525) 2.372 9.299 ( 0.274 -3.210 0.293) 3.235 13.125 ( -1.531 12.395 -0.295) 12.493 13.256 ( 0.202 14.359 -0.504) 14.370 13.880 ( -0.320 -11.780 0.813) 11.812 14.058 ( 1.996 -10.201 -0.889) 10.432 16.950 ( -1.989 -0.528 -0.388) 2.094 16.975 ( -1.783 -1.058 0.039) 2.073 17.063 ( -3.449 -1.295 5.494) 6.615 17.102 ( -4.072 -2.171 4.955) 6.771 17.360 ( 2.066 2.682 -0.575) 3.434 17.424 ( -4.639 0.032 -2.187) 5.128 17.436 ( -1.965 1.025 2.883) 3.636 17.537 ( -0.638 -2.537 -3.086) 4.045 17.577 ( 3.022 -0.616 -0.581) 3.139 17.685 ( 2.379 -2.276 -0.222) 3.300 17.946 ( -1.089 0.045 -1.631) 1.962 17.996 ( -0.872 0.042 -0.622) 1.072 18.036 ( 2.064 -1.129 -1.319) 2.697 18.072 ( 0.911 -1.966 -2.048) 2.981 18.189 ( 1.420 1.816 0.792) 2.438 18.209 ( 0.394 0.858 -1.181) 1.512 18.785 ( -0.097 -1.537 0.116) 1.545 18.825 ( -2.126 -2.961 1.469) 3.930 18.929 ( 2.642 0.540 -0.265) 2.710 19.046 ( -2.605 -2.804 -1.818) 4.237 19.413 ( -0.016 -3.848 0.913) 3.955 19.533 ( -3.799 -6.720 3.276) 8.386 19.816 ( 4.211 3.442 0.114) 5.440 19.907 ( 1.946 -0.528 -2.733) 3.396 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 6.978 -3.472 -4.206) 8.857 1.620 ( -2.299 7.983 -11.589) 14.259 1.796 ( -2.435 -4.312 2.768) 5.673 1.957 ( 3.588 0.945 6.041) 7.089 2.038 ( 1.452 0.664 -0.369) 1.639 2.120 ( -1.484 4.194 6.795) 8.122 2.184 ( 3.724 5.291 6.940) 9.489 2.232 ( -5.065 6.070 3.163) 8.515 2.416 ( -5.047 10.534 -0.998) 11.723 2.565 ( 1.247 6.009 3.123) 6.886 2.582 ( -0.350 -1.524 -0.733) 1.727 2.687 ( -1.694 1.314 -0.341) 2.171 2.723 ( -1.181 0.235 2.096) 2.417 2.911 ( -1.293 -2.177 1.631) 3.012 2.947 ( -10.531 5.835 -8.362) 14.658 3.128 ( -0.484 1.090 -3.371) 3.576 3.183 ( 1.106 -5.785 -5.308) 7.929 3.307 ( 0.096 -0.892 -8.049) 8.099 3.395 ( 5.422 3.351 -2.796) 6.960 3.425 ( 8.243 1.203 3.033) 8.865 3.549 ( 2.864 5.504 3.314) 7.034 3.688 ( -0.385 0.606 2.039) 2.162 3.799 ( -0.612 4.498 -0.872) 4.623 3.858 ( -0.651 -0.087 -4.675) 4.721 3.950 ( -3.842 -3.024 7.064) 8.591 3.983 ( -0.021 -0.592 -0.880) 1.061 4.014 ( 4.665 5.517 4.220) 8.367 4.136 ( -1.894 1.620 3.712) 4.472 4.237 ( -2.597 -4.930 1.790) 5.853 4.303 ( 4.672 2.515 0.897) 5.381 4.325 ( -1.678 -1.760 1.157) 2.693 4.392 ( -1.682 -6.801 6.260) 9.395 4.527 ( 2.394 3.879 -1.414) 4.773 4.726 ( 0.309 -4.217 0.358) 4.244 4.757 ( -0.494 -0.544 -2.321) 2.435 4.837 ( -1.321 -0.386 -4.437) 4.646 5.096 ( 0.965 1.921 6.195) 6.557 5.322 ( -0.205 -0.394 -0.777) 0.895 5.340 ( 0.673 1.309 -1.088) 1.830 5.405 ( -3.525 -3.126 -1.307) 4.889 5.500 ( 4.222 -4.670 0.184) 6.298 5.654 ( -2.695 -8.730 -2.337) 9.431 5.734 ( -0.250 -1.909 -2.247) 2.960 5.812 ( -1.123 -2.753 0.709) 3.056 5.906 ( 1.029 -2.092 1.510) 2.777 6.085 ( -0.971 1.383 -5.936) 6.171 6.163 ( -1.839 -5.209 -8.009) 9.729 6.339 ( 3.352 4.901 5.307) 7.964 6.420 ( -3.143 -3.365 -8.574) 9.733 6.605 ( -2.298 1.976 1.346) 3.316 6.747 ( 1.444 -5.444 8.933) 10.561 6.778 ( 1.482 -3.716 -1.567) 4.297 6.838 ( 2.747 1.347 5.063) 5.916 6.958 ( 0.541 0.684 2.738) 2.873 6.985 ( 1.527 1.630 -0.030) 2.234 7.214 ( -2.523 1.122 -2.533) 3.747 7.303 ( -0.782 -1.803 2.280) 3.010 7.393 ( 2.391 2.495 -2.347) 4.178 7.451 ( 2.740 -2.728 -0.444) 3.892 7.535 ( 0.110 -0.075 -2.966) 2.969 7.627 ( -3.570 4.070 3.879) 6.660 7.697 ( -0.840 0.812 3.064) 3.279 7.824 ( 0.900 -0.391 -1.885) 2.125 7.866 ( 0.442 -1.715 0.463) 1.831 7.957 ( 0.275 -0.061 -2.836) 2.850 7.979 ( 0.138 -0.241 -0.727) 0.779 8.156 ( -0.695 -0.273 -1.681) 1.839 8.158 ( 0.379 0.106 -2.394) 2.426 8.217 ( -0.258 1.625 0.506) 1.722 8.251 ( -0.500 1.641 1.749) 2.450 8.265 ( 0.099 1.664 1.552) 2.277 8.434 ( -0.562 -1.409 -4.004) 4.281 8.500 ( 0.861 0.152 2.516) 2.663 8.558 ( -0.726 -0.246 0.547) 0.942 8.633 ( -0.474 -0.367 -0.879) 1.064 8.710 ( 0.217 -2.713 -1.938) 3.341 9.050 ( 0.498 3.300 1.675) 3.735 9.106 ( 0.592 2.771 2.073) 3.511 9.250 ( 0.092 -2.064 -0.521) 2.131 9.296 ( -0.425 -2.957 -0.500) 3.029 13.122 ( 0.774 12.660 1.089) 12.730 13.241 ( -0.382 14.597 -1.768) 14.709 13.895 ( 0.136 -12.059 2.104) 12.241 14.063 ( 0.077 -10.797 -1.953) 10.972 16.954 ( 1.829 -1.317 2.284) 3.209 16.992 ( 1.525 -2.097 2.691) 3.737 17.049 ( -3.505 -1.256 5.064) 6.286 17.091 ( -2.312 -2.482 5.241) 6.243 17.290 ( -3.640 0.268 -5.403) 6.520 17.292 ( -2.927 0.282 -4.856) 5.677 17.473 ( 2.335 0.277 -0.958) 2.539 17.509 ( 2.310 -3.530 -3.807) 5.683 17.677 ( 2.533 0.169 4.870) 5.492 17.716 ( -0.835 -0.925 2.799) 3.064 17.941 ( 1.850 0.651 0.210) 1.972 17.985 ( -0.393 1.074 0.305) 1.184 18.054 ( 1.612 -0.725 -2.968) 3.455 18.070 ( 1.198 -1.748 -2.272) 3.107 18.192 ( 0.070 1.351 -1.967) 2.387 18.195 ( -1.371 1.457 -0.252) 2.016 18.795 ( -0.161 -2.886 1.000) 3.059 18.800 ( -0.714 -2.427 0.830) 2.663 18.974 ( -2.860 -0.201 -1.434) 3.206 18.987 ( 3.797 -0.809 -0.972) 4.002 19.462 ( 2.369 -4.311 3.597) 6.094 19.521 ( -2.127 -6.236 5.657) 8.684 19.812 ( -2.301 3.369 -4.410) 6.008 19.902 ( 1.061 -0.215 -3.845) 3.995 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -1.386 15.544 -9.510) 18.276 1.588 ( 3.536 -5.384 0.491) 6.460 1.818 ( 4.022 -10.413 1.770) 11.302 1.852 ( -9.813 14.035 -6.613) 18.358 2.106 ( -5.173 5.095 2.418) 7.653 2.187 ( 1.645 1.948 7.824) 8.229 2.273 ( -0.742 -2.166 0.452) 2.333 2.349 ( 13.965 0.174 4.340) 14.625 2.419 ( 4.255 5.256 2.475) 7.201 2.551 ( -7.334 13.119 4.739) 15.759 2.597 ( 1.877 3.391 -3.612) 5.298 2.657 ( 0.230 1.682 4.185) 4.516 2.744 ( 2.409 10.704 6.754) 12.884 2.829 ( 3.438 -5.268 -0.324) 6.299 2.904 ( 1.070 -0.405 -0.758) 1.373 3.069 ( -1.740 0.234 -3.976) 4.346 3.170 ( 0.714 -3.462 -3.138) 4.727 3.250 ( 3.933 -3.344 -8.481) 9.928 3.387 ( -1.856 9.405 -2.745) 9.971 3.545 ( 2.740 -4.577 -1.647) 5.583 3.625 ( -6.991 1.345 3.114) 7.770 3.677 ( 2.531 9.236 -3.594) 10.228 3.739 ( 2.876 -6.717 -3.924) 8.294 3.865 ( 1.006 -2.312 0.568) 2.585 3.949 ( -1.835 6.002 6.593) 9.102 3.985 ( -0.459 -0.863 -0.450) 1.076 4.134 ( 3.215 2.406 1.744) 4.378 4.145 ( -2.402 -1.138 2.057) 3.361 4.186 ( -4.151 1.127 1.946) 4.721 4.271 ( -2.549 -0.221 2.244) 3.403 4.366 ( -0.911 -3.295 1.845) 3.885 4.449 ( 2.137 -3.417 4.586) 6.105 4.564 ( 1.698 2.034 -0.094) 2.652 4.663 ( -5.395 -0.749 -3.218) 6.327 4.755 ( 1.702 -2.816 0.061) 3.291 4.809 ( 2.502 -1.768 -2.414) 3.901 5.165 ( -0.211 2.656 4.672) 5.379 5.249 ( -3.334 3.717 -2.818) 5.733 5.293 ( -4.803 -3.868 -0.453) 6.183 5.421 ( 3.288 -4.637 4.124) 7.023 5.532 ( -4.695 -5.028 -4.540) 8.242 5.558 ( 1.480 -4.756 -0.278) 4.989 5.754 ( 0.750 -2.537 2.610) 3.716 5.810 ( 1.449 -2.224 -2.458) 3.617 5.954 ( 0.442 -3.586 0.765) 3.694 6.007 ( 0.619 -5.988 -5.754) 8.327 6.101 ( 2.641 -2.510 -3.432) 5.005 6.198 ( -5.796 -6.033 -11.559) 14.269 6.524 ( 3.317 3.812 10.870) 11.987 6.637 ( 2.861 4.197 3.064) 5.932 6.750 ( -0.413 -0.654 -2.976) 3.075 6.853 ( 2.429 -3.902 3.889) 6.021 6.948 ( 3.084 1.924 2.514) 4.420 6.997 ( 0.935 1.797 0.329) 2.052 7.000 ( -0.806 2.357 1.058) 2.706 7.141 ( -1.597 2.995 -3.083) 4.586 7.273 ( -1.668 -1.970 0.011) 2.582 7.428 ( 0.986 -1.182 1.309) 2.020 7.458 ( -2.162 1.748 -3.941) 4.823 7.523 ( 3.279 0.872 -1.675) 3.784 7.593 ( -4.081 2.045 4.318) 6.283 7.732 ( -0.335 -1.005 4.112) 4.246 7.811 ( -0.682 -1.713 -1.892) 2.642 7.877 ( 0.469 -0.306 -0.490) 0.744 7.912 ( -0.685 -1.514 -2.964) 3.398 7.971 ( 0.245 -0.194 -1.044) 1.090 8.099 ( -3.026 -0.964 -1.468) 3.499 8.114 ( -2.697 0.359 -1.611) 3.162 8.218 ( -0.772 1.485 2.402) 2.928 8.271 ( 1.930 1.701 -0.054) 2.573 8.321 ( 2.790 0.923 1.099) 3.137 8.399 ( 1.012 -2.449 -3.030) 4.025 8.509 ( -1.638 -0.129 0.193) 1.654 8.562 ( -1.277 -1.812 1.672) 2.777 8.614 ( 0.463 1.094 0.813) 1.440 8.710 ( 1.645 -0.725 -2.516) 3.092 9.079 ( 0.388 2.149 1.843) 2.857 9.129 ( 0.263 3.046 0.952) 3.202 9.242 ( -0.846 -2.384 -0.504) 2.579 9.285 ( 0.264 -1.814 -0.337) 1.864 13.154 ( 0.281 13.901 0.557) 13.915 13.231 ( 2.201 11.932 -1.284) 12.201 13.905 ( -1.583 -10.207 1.647) 10.460 14.039 ( -0.168 -13.046 -1.634) 13.149 17.021 ( -1.253 0.389 1.516) 2.005 17.048 ( 0.701 -0.104 5.364) 5.411 17.062 ( 1.060 0.207 4.351) 4.483 17.123 ( -0.773 -1.067 5.210) 5.374 17.222 ( 2.956 -0.123 -4.424) 5.322 17.247 ( 5.031 -0.597 -2.875) 5.825 17.482 ( 2.150 -1.522 -3.790) 4.615 17.527 ( 2.147 -2.637 -3.910) 5.182 17.710 ( -3.158 -1.225 4.481) 5.617 17.739 ( -2.086 -1.282 5.784) 6.281 17.945 ( -2.780 2.360 -3.262) 4.893 18.002 ( 2.543 1.224 -0.586) 2.882 18.053 ( 2.609 0.852 -3.902) 4.771 18.060 ( 1.189 -0.793 -3.539) 3.816 18.151 ( -2.054 -0.036 -0.137) 2.059 18.198 ( 1.125 -0.062 0.752) 1.354 18.779 ( -0.764 -1.786 0.300) 1.966 18.834 ( 1.112 -1.951 1.479) 2.689 18.921 ( -1.242 0.380 -0.489) 1.388 19.045 ( 3.528 -3.138 -1.835) 5.065 19.543 ( -0.718 -4.213 6.024) 7.386 19.559 ( 0.828 -6.021 4.989) 7.864 19.690 ( -4.020 2.831 -5.156) 7.125 19.856 ( -0.935 -1.748 -4.744) 5.142 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -4.100 19.480 -0.612) 19.916 1.620 ( 5.049 19.877 -9.362) 22.544 1.754 ( 0.706 2.032 4.764) 5.227 1.939 ( 2.642 -2.962 -0.385) 3.988 1.975 ( 0.427 -0.336 -4.364) 4.398 2.221 ( -1.286 -2.153 0.170) 2.514 2.297 ( 0.116 -0.191 5.514) 5.518 2.353 ( -12.145 20.712 10.191) 26.083 2.520 ( 1.788 5.524 0.688) 5.847 2.605 ( -0.909 -5.666 2.771) 6.373 2.704 ( 4.241 0.676 2.286) 4.865 2.774 ( 5.041 1.074 3.771) 6.387 2.871 ( 11.995 -1.979 0.535) 12.169 2.931 ( 1.898 3.674 3.100) 5.168 2.982 ( 2.991 3.447 -1.062) 4.686 3.019 ( 5.529 -2.839 -6.628) 9.086 3.090 ( -5.149 1.138 0.096) 5.274 3.273 ( 5.188 5.851 -6.322) 10.055 3.328 ( -2.863 7.238 2.238) 8.099 3.461 ( -8.482 2.241 -2.631) 9.159 3.525 ( 0.383 -7.772 -5.924) 9.780 3.649 ( 0.667 3.492 -1.931) 4.045 3.789 ( -1.996 -9.269 0.569) 9.499 3.871 ( 0.966 1.653 -0.801) 2.075 3.956 ( -2.150 -0.600 1.139) 2.506 3.996 ( 0.878 0.617 0.409) 1.148 4.065 ( -1.485 2.093 4.070) 4.811 4.161 ( -1.799 2.701 0.242) 3.255 4.201 ( 2.646 -0.250 -2.728) 3.809 4.291 ( 0.811 -0.352 3.738) 3.841 4.345 ( -1.863 -5.204 -0.383) 5.541 4.497 ( -1.622 -4.067 2.811) 5.204 4.507 ( -5.326 -0.632 -2.793) 6.047 4.594 ( 1.149 3.165 -0.827) 3.467 4.795 ( 1.818 -4.097 0.565) 4.518 4.854 ( 2.048 -2.765 -0.034) 3.441 5.158 ( -1.874 3.620 -1.314) 4.283 5.187 ( -2.463 2.011 0.218) 3.187 5.213 ( -2.566 -1.833 1.968) 3.717 5.416 ( -1.809 -4.384 -2.490) 5.356 5.479 ( -0.057 -5.609 -0.581) 5.639 5.673 ( 6.056 -7.497 7.906) 12.465 5.770 ( -1.046 -3.662 -3.454) 5.142 5.809 ( 0.670 -0.805 0.902) 1.382 5.889 ( -1.720 -6.206 -2.588) 6.940 5.990 ( -1.394 -1.709 -2.522) 3.351 6.103 ( 2.069 -4.807 3.854) 6.499 6.150 ( 2.555 -7.395 0.377) 7.833 6.640 ( 0.262 2.339 5.205) 5.713 6.691 ( -1.350 0.180 -2.706) 3.029 6.740 ( 3.410 3.822 -2.987) 5.929 6.916 ( 2.044 -0.156 -0.934) 2.252 6.967 ( -1.256 1.923 -1.224) 2.603 6.978 ( -1.028 2.607 -0.551) 2.856 7.009 ( 0.280 4.057 0.887) 4.163 7.111 ( 2.268 3.869 -2.306) 5.042 7.272 ( -0.175 -2.781 0.100) 2.789 7.365 ( -2.670 2.268 -2.464) 4.283 7.449 ( 0.465 -0.286 -0.145) 0.565 7.530 ( -1.769 3.156 -0.113) 3.620 7.582 ( -1.144 -0.717 3.134) 3.412 7.738 ( -2.381 -1.479 3.011) 4.113 7.795 ( 1.422 -2.951 -0.209) 3.282 7.856 ( -0.564 2.032 -2.267) 3.096 7.903 ( 0.924 -4.495 -1.432) 4.807 7.973 ( 1.046 -0.450 -0.853) 1.422 8.027 ( -2.768 -1.543 -0.172) 3.173 8.078 ( -0.624 0.429 1.699) 1.861 8.216 ( -1.990 -0.490 1.754) 2.697 8.309 ( 2.052 1.867 -0.915) 2.921 8.364 ( 1.522 -0.561 -0.787) 1.803 8.415 ( 1.181 -0.821 0.811) 1.651 8.469 ( -0.895 0.417 -1.803) 2.055 8.542 ( -1.691 -2.075 1.376) 3.010 8.645 ( 0.080 1.332 1.970) 2.379 8.722 ( 1.961 -0.108 -1.571) 2.515 9.089 ( -0.273 2.436 -0.250) 2.463 9.137 ( 0.093 2.393 -0.955) 2.578 9.217 ( -0.776 -1.650 0.435) 1.875 9.295 ( 0.369 -1.681 0.279) 1.743 13.144 ( -0.316 14.300 -0.237) 14.305 13.289 ( 3.503 8.621 -0.984) 9.357 13.878 ( -1.765 -8.618 0.944) 8.847 14.019 ( -0.798 -13.265 -0.946) 13.322 17.020 ( -0.332 1.451 1.509) 2.120 17.071 ( -2.841 -0.552 5.598) 6.302 17.101 ( 1.253 2.178 -0.353) 2.537 17.133 ( 1.462 3.448 -1.129) 3.911 17.356 ( 6.977 0.596 3.445) 7.804 17.413 ( 8.344 -0.876 5.312) 9.930 17.469 ( -0.291 -0.595 -4.395) 4.445 17.508 ( 0.774 -1.868 -3.600) 4.129 17.690 ( -2.841 -1.617 2.099) 3.884 17.710 ( -4.709 -1.424 3.015) 5.770 17.854 ( -2.216 -0.253 -2.373) 3.257 17.947 ( -0.353 -0.104 -7.980) 7.988 18.073 ( 2.401 -0.412 -2.384) 3.408 18.098 ( 2.297 0.012 -0.517) 2.355 18.135 ( -0.203 0.586 1.039) 1.210 18.220 ( 0.139 -0.370 0.263) 0.475 18.780 ( 0.717 -0.041 0.009) 0.718 18.840 ( -1.214 1.241 0.513) 1.810 18.930 ( 0.812 -2.560 1.286) 2.978 19.083 ( 2.816 -5.090 -2.474) 6.321 19.544 ( -2.354 0.977 0.506) 2.598 19.582 ( -2.104 -4.316 2.223) 5.291 19.627 ( -1.426 -3.804 2.557) 4.800 19.803 ( 0.120 -3.935 -2.814) 4.839 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 3.112 15.417 5.998) 16.833 1.816 ( -8.487 9.601 0.756) 12.836 1.949 ( 5.484 -2.479 4.384) 7.445 2.005 ( 1.141 -3.422 3.802) 5.241 2.119 ( 1.722 -3.775 2.691) 4.945 2.184 ( 1.088 -9.363 1.637) 9.567 2.241 ( 9.415 18.128 -10.876) 23.142 2.438 ( -6.496 8.812 0.418) 10.955 2.551 ( -2.946 -10.269 -8.457) 13.626 2.588 ( -1.370 1.671 -2.008) 2.950 2.711 ( -3.147 -0.398 -2.360) 3.954 2.739 ( -0.994 -7.531 -6.296) 9.867 2.861 ( -0.948 7.227 6.205) 9.572 2.970 ( 2.442 3.655 0.421) 4.416 3.060 ( -1.653 -0.911 3.879) 4.314 3.126 ( 2.143 -0.585 1.394) 2.622 3.205 ( -0.233 0.121 3.898) 3.907 3.210 ( -4.474 -5.642 -0.472) 7.216 3.428 ( 2.198 3.437 -4.229) 5.876 3.473 ( 2.564 2.181 -7.106) 7.863 3.566 ( 1.952 9.147 2.687) 9.731 3.646 ( -1.123 2.776 3.418) 4.544 3.737 ( -0.651 7.827 4.240) 8.926 3.788 ( -1.437 -7.536 3.423) 8.401 3.819 ( 2.557 -9.046 1.293) 9.489 4.003 ( -0.750 -11.060 -0.218) 11.088 4.096 ( 0.223 4.865 0.420) 4.888 4.143 ( -2.193 -0.255 -1.981) 2.966 4.218 ( 0.187 1.077 -3.400) 3.572 4.248 ( -2.603 -0.727 -4.170) 4.969 4.296 ( 0.135 2.689 1.443) 3.055 4.377 ( -3.705 -2.856 0.884) 4.761 4.525 ( -0.189 5.258 0.417) 5.278 4.665 ( 0.540 -4.159 -1.584) 4.483 4.711 ( 1.378 1.193 0.221) 1.836 4.795 ( 1.634 -4.056 -0.783) 4.442 5.129 ( 0.599 1.013 -0.272) 1.208 5.173 ( 0.347 -2.503 0.777) 2.644 5.254 ( -2.204 5.572 -3.274) 6.828 5.336 ( -1.541 -2.739 -3.999) 5.086 5.419 ( 3.278 -1.596 2.204) 4.260 5.488 ( -0.568 -7.135 -0.628) 7.185 5.740 ( -0.936 2.758 0.452) 2.947 5.820 ( 1.693 -4.867 0.669) 5.196 5.971 ( 2.550 1.838 8.734) 9.282 5.979 ( 6.064 -0.156 7.877) 9.942 6.075 ( 1.419 -2.329 4.573) 5.325 6.118 ( 0.632 -5.133 9.646) 10.945 6.582 ( -5.166 2.726 -6.599) 8.813 6.642 ( -2.718 -2.690 -6.054) 7.160 6.812 ( -0.569 5.045 -5.628) 7.580 6.888 ( -1.731 -1.460 -1.763) 2.870 6.971 ( -0.821 0.545 -0.309) 1.032 6.991 ( 1.583 -1.733 -4.154) 4.771 7.084 ( -1.573 6.514 -2.849) 7.281 7.193 ( -0.025 -3.704 -1.960) 4.190 7.261 ( 4.126 2.535 -1.281) 5.009 7.295 ( -1.235 -0.547 -2.086) 2.486 7.456 ( -1.306 1.436 -2.163) 2.906 7.506 ( 0.060 -2.973 -1.806) 3.480 7.608 ( -0.700 3.549 4.319) 5.633 7.681 ( -0.324 -3.282 3.527) 4.829 7.834 ( 1.582 0.840 1.827) 2.559 7.857 ( 2.930 -0.887 0.132) 3.064 7.918 ( 1.071 2.577 0.509) 2.837 7.973 ( 0.434 -2.278 2.222) 3.211 7.987 ( 0.065 0.553 1.424) 1.528 8.038 ( -2.636 -3.743 3.512) 5.770 8.227 ( 0.406 4.569 -0.469) 4.611 8.318 ( 1.433 -3.810 -0.681) 4.128 8.360 ( -0.284 1.315 -2.516) 2.853 8.387 ( -1.283 -1.161 -1.337) 2.186 8.498 ( -0.051 1.171 1.863) 2.201 8.518 ( -0.361 -0.670 1.821) 1.973 8.684 ( -0.302 2.082 0.040) 2.105 8.724 ( 0.661 -1.661 -0.431) 1.839 9.122 ( -0.223 1.927 -0.775) 2.089 9.143 ( 0.328 0.492 -1.845) 1.938 9.216 ( -0.230 0.468 0.547) 0.756 9.251 ( -0.389 -2.310 -0.628) 2.425 13.444 ( 0.750 14.022 0.087) 14.042 13.479 ( -0.128 9.053 -0.682) 9.079 13.684 ( -0.723 -9.527 1.157) 9.624 13.738 ( 0.591 -13.260 -0.203) 13.275 17.038 ( -2.625 0.558 4.385) 5.141 17.052 ( -2.695 -0.779 5.083) 5.806 17.219 ( 1.878 5.402 -2.261) 6.150 17.289 ( 2.377 5.792 -1.377) 6.411 17.324 ( -2.056 -3.809 -4.793) 6.458 17.397 ( -1.837 -3.493 -3.034) 4.978 17.490 ( 1.803 0.852 0.747) 2.130 17.533 ( 0.881 -3.060 0.646) 3.249 17.634 ( -4.786 0.144 3.850) 6.144 17.645 ( -3.667 -0.834 2.956) 4.784 17.859 ( 5.574 2.144 -2.468) 6.462 17.900 ( 5.397 -1.546 -4.367) 7.113 18.091 ( 2.240 -0.006 -1.841) 2.900 18.096 ( 1.059 -0.429 -1.177) 1.641 18.160 ( -1.964 1.384 -0.558) 2.467 18.187 ( -1.299 -1.234 -1.142) 2.124 18.817 ( -0.748 1.233 0.848) 1.673 18.844 ( -1.426 -0.651 1.037) 1.880 18.906 ( 0.334 1.427 -0.670) 1.612 18.983 ( 1.207 -5.252 -1.479) 5.589 19.467 ( -4.422 -0.552 3.223) 5.499 19.506 ( -3.331 -3.998 3.531) 6.288 19.651 ( 3.731 3.818 -0.468) 5.359 19.730 ( 3.483 -3.701 -1.096) 5.199 ======================= Grid point 88 (46/80) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -9.627 10.779 2.024) 14.593 1.866 ( -5.669 -4.521 5.628) 9.179 1.979 ( 2.854 6.586 5.936) 9.314 2.035 ( -0.635 1.557 0.247) 1.699 2.117 ( -4.686 6.168 -5.689) 9.611 2.171 ( -2.917 0.415 -3.762) 4.779 2.273 ( -3.085 -2.466 -2.284) 4.563 2.371 ( 0.249 -5.979 2.098) 6.342 2.484 ( 2.031 8.415 -1.641) 8.811 2.549 ( -3.113 -1.481 -3.515) 4.923 2.556 ( 5.448 2.212 -0.575) 5.907 2.772 ( 2.868 -3.448 -0.171) 4.488 2.852 ( -5.521 -2.063 -4.243) 7.262 2.918 ( -1.466 -4.740 -4.486) 6.689 3.018 ( -4.480 12.325 7.292) 15.005 3.100 ( -1.783 8.386 5.120) 9.986 3.228 ( -1.732 -2.867 4.478) 5.592 3.312 ( 2.146 -6.992 8.438) 11.166 3.409 ( 1.915 -0.310 -7.562) 7.807 3.429 ( 1.300 -2.006 -7.142) 7.531 3.656 ( 2.292 2.221 2.853) 4.281 3.675 ( 1.096 3.185 3.970) 5.206 3.738 ( -0.473 10.436 -4.048) 11.203 3.834 ( 2.202 -0.792 2.218) 3.224 3.946 ( 6.385 -6.325 2.001) 9.207 3.998 ( 0.903 -8.561 -5.626) 10.284 4.060 ( -3.460 1.811 0.657) 3.960 4.113 ( -0.606 0.272 5.083) 5.126 4.152 ( -1.678 0.447 -2.699) 3.210 4.207 ( 2.053 -0.204 -3.299) 3.891 4.272 ( -4.193 1.728 2.863) 5.364 4.314 ( -2.831 -2.405 -0.178) 3.719 4.536 ( 0.741 2.273 -0.407) 2.425 4.648 ( -0.433 -6.067 -1.858) 6.359 4.756 ( 2.739 4.010 -0.104) 4.858 4.837 ( 2.919 -3.081 -0.055) 4.244 5.122 ( -1.495 4.449 -2.330) 5.240 5.186 ( 2.499 -1.080 0.064) 2.723 5.254 ( 1.246 -1.600 -0.225) 2.040 5.274 ( 0.972 -2.184 -0.945) 2.570 5.474 ( -0.155 -3.342 -1.382) 3.620 5.489 ( 2.152 -4.949 0.618) 5.432 5.747 ( 0.392 2.831 0.846) 2.981 5.816 ( -0.691 -3.687 -1.429) 4.014 6.079 ( -1.374 6.349 8.838) 10.969 6.204 ( 4.118 -0.591 9.276) 10.166 6.219 ( 2.265 -4.659 11.005) 12.163 6.262 ( 6.271 -4.604 9.657) 12.401 6.385 ( -5.140 3.715 -7.775) 10.033 6.475 ( -4.462 -4.175 -9.502) 11.297 6.715 ( -1.874 4.998 -9.773) 11.136 6.817 ( -1.491 -3.604 -8.272) 9.145 6.905 ( -4.201 1.895 -0.418) 4.628 6.940 ( -2.771 -1.635 -0.074) 3.218 7.053 ( -0.164 4.822 -0.438) 4.845 7.165 ( -1.007 -5.254 -0.128) 5.351 7.308 ( 3.909 2.922 -2.258) 5.378 7.330 ( 2.705 1.106 -0.061) 2.923 7.425 ( 0.931 0.980 -1.924) 2.351 7.481 ( -0.448 -3.633 -1.376) 3.911 7.664 ( 1.393 3.482 4.051) 5.521 7.717 ( 0.112 -1.487 3.136) 3.472 7.848 ( -0.686 0.740 0.400) 1.086 7.871 ( -1.128 -0.715 -2.238) 2.606 7.930 ( 1.338 -0.113 0.048) 1.344 7.949 ( -2.977 -2.247 0.574) 3.774 8.071 ( 5.173 1.987 2.533) 6.093 8.114 ( 4.223 -1.301 3.584) 5.690 8.243 ( 0.793 4.646 -0.052) 4.713 8.311 ( -2.103 -1.919 -1.331) 3.143 8.326 ( -0.015 0.516 -2.172) 2.233 8.373 ( 1.229 -3.372 0.282) 3.600 8.508 ( -0.231 0.747 1.328) 1.541 8.522 ( -0.794 -0.211 1.307) 1.544 8.669 ( -1.284 2.434 0.036) 2.752 8.721 ( -0.589 -2.360 -0.605) 2.507 9.112 ( 0.105 3.007 -0.651) 3.078 9.134 ( 0.591 1.863 -1.669) 2.570 9.216 ( -0.405 -1.697 0.716) 1.885 9.234 ( -0.491 -2.509 -0.625) 2.632 13.419 ( -2.221 11.648 -0.935) 11.894 13.507 ( 2.494 12.330 0.227) 12.582 13.662 ( -1.982 -10.729 0.347) 10.916 13.778 ( 2.828 -12.348 0.532) 12.679 17.021 ( -3.260 1.382 2.776) 4.499 17.048 ( -3.124 -1.178 4.862) 5.898 17.114 ( -8.729 1.551 -3.082) 9.386 17.138 ( -7.042 -0.676 -0.417) 7.087 17.382 ( 2.110 2.847 -0.131) 3.546 17.414 ( 3.305 0.687 3.880) 5.143 17.492 ( -0.114 0.085 -2.685) 2.689 17.536 ( -1.535 -3.392 1.224) 3.920 17.588 ( -1.480 -0.114 -0.918) 1.746 17.594 ( -0.748 -1.312 -1.282) 1.981 17.962 ( 4.650 1.096 -1.709) 5.074 17.979 ( 4.815 -0.480 -2.972) 5.678 18.050 ( -2.863 0.796 -2.750) 4.049 18.075 ( -2.448 -1.376 -2.486) 3.750 18.160 ( 2.694 1.216 0.852) 3.076 18.185 ( 2.003 -1.135 0.353) 2.329 18.789 ( -2.329 0.220 0.872) 2.497 18.810 ( -2.890 -1.768 1.153) 3.578 18.920 ( 1.651 2.412 -0.611) 2.986 18.993 ( 0.905 -4.488 -1.101) 4.709 19.407 ( -3.937 0.374 1.706) 4.307 19.462 ( -4.197 -4.713 2.577) 6.817 19.761 ( 6.663 3.159 0.390) 7.384 19.819 ( 5.674 -2.465 -0.562) 6.212 ======================= Grid point 89 (47/80) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -6.927 7.987 0.970) 10.617 1.708 ( -11.036 -10.692 2.443) 15.559 1.943 ( -6.531 0.919 -5.109) 8.342 1.961 ( -0.235 5.608 -3.141) 6.432 2.042 ( -2.473 -0.674 -3.329) 4.201 2.124 ( -2.323 -0.902 3.730) 4.486 2.245 ( 5.632 9.644 2.025) 11.350 2.410 ( -0.966 2.473 0.432) 2.689 2.502 ( -3.179 -3.014 -0.197) 4.385 2.583 ( 5.397 -4.626 2.509) 7.538 2.608 ( 2.170 5.515 -1.092) 6.026 2.698 ( -2.224 -1.155 -5.095) 5.678 2.830 ( 1.350 3.402 3.952) 5.387 2.928 ( -1.074 3.180 1.926) 3.870 2.992 ( -0.160 -0.359 0.018) 0.394 3.141 ( -2.558 -2.155 2.461) 4.153 3.274 ( -1.529 4.444 6.032) 7.647 3.302 ( 0.986 3.537 -6.041) 7.069 3.356 ( 0.258 -3.234 -7.458) 8.133 3.429 ( 0.660 -4.380 1.815) 4.787 3.624 ( -4.414 5.031 0.523) 6.714 3.683 ( -3.268 -2.272 2.889) 4.918 3.751 ( 3.464 3.238 0.777) 4.805 3.897 ( 2.063 -5.348 -0.915) 5.805 3.951 ( 4.067 3.265 -4.319) 6.772 4.043 ( 0.520 -0.628 -1.683) 1.870 4.057 ( 1.039 6.642 1.464) 6.880 4.139 ( 1.797 0.731 -0.975) 2.172 4.190 ( 0.096 -2.676 5.017) 5.687 4.210 ( -1.576 -4.124 4.089) 6.018 4.239 ( -1.681 2.243 4.021) 4.902 4.291 ( -0.536 -2.412 4.415) 5.059 4.546 ( 1.748 0.863 -1.346) 2.369 4.621 ( -0.111 -5.373 -1.894) 5.698 4.787 ( 1.523 3.479 -2.366) 4.474 4.865 ( 0.820 -3.210 -3.156) 4.576 5.106 ( 0.919 5.856 1.296) 6.068 5.228 ( 1.939 -5.039 0.358) 5.411 5.292 ( 2.714 0.335 0.841) 2.861 5.334 ( 3.008 -3.408 0.463) 4.569 5.454 ( 0.261 0.143 -2.058) 2.079 5.517 ( 1.181 -5.832 -1.029) 6.039 5.750 ( -1.222 0.413 0.725) 1.480 5.783 ( -2.013 -2.402 1.072) 3.312 6.033 ( -4.011 6.765 -9.002) 11.953 6.176 ( -3.955 -6.406 -9.468) 12.096 6.251 ( -2.391 6.499 5.895) 9.094 6.372 ( 1.266 -1.777 3.964) 4.525 6.463 ( 3.526 -0.832 4.325) 5.642 6.475 ( 0.769 -3.403 4.010) 5.315 6.609 ( 1.983 2.094 -0.403) 2.912 6.687 ( -1.096 -4.198 -6.993) 8.230 6.849 ( -2.772 2.547 2.729) 4.649 6.907 ( -2.743 -2.912 3.777) 5.502 7.047 ( -0.121 5.244 -0.004) 5.245 7.162 ( -0.407 -5.490 0.740) 5.554 7.341 ( 1.864 2.320 -2.316) 3.771 7.363 ( 1.885 -0.166 -0.728) 2.027 7.437 ( 1.597 1.424 -2.353) 3.180 7.486 ( 1.559 -2.651 -0.576) 3.129 7.716 ( -0.562 3.043 2.900) 4.241 7.739 ( -0.717 1.014 2.508) 2.799 7.820 ( -1.060 -1.192 -2.048) 2.596 7.825 ( -0.642 -1.610 0.031) 1.734 7.941 ( 2.137 0.120 -1.856) 2.833 7.956 ( 1.925 -0.994 -1.409) 2.584 8.168 ( 2.399 2.556 0.451) 3.534 8.195 ( 1.252 1.334 1.589) 2.423 8.233 ( -0.386 0.312 -2.708) 2.753 8.262 ( -1.874 -1.365 0.776) 2.445 8.324 ( 0.051 2.819 0.711) 2.908 8.396 ( 0.480 -3.565 -0.093) 3.599 8.519 ( -0.201 1.026 1.008) 1.452 8.532 ( 1.064 -0.681 1.165) 1.719 8.640 ( -1.131 1.620 -0.417) 2.019 8.687 ( -1.747 -2.668 -1.312) 3.449 9.114 ( 0.413 3.671 -0.126) 3.696 9.137 ( 0.939 2.325 -0.456) 2.548 9.209 ( -0.596 -2.099 0.259) 2.197 9.230 ( -0.135 -3.290 0.477) 3.327 13.376 ( -1.230 12.103 -0.105) 12.166 13.543 ( 1.382 11.975 -1.054) 12.101 13.636 ( -1.113 -10.177 1.099) 10.296 13.827 ( 1.760 -12.383 -0.501) 12.517 16.950 ( -4.479 0.384 0.192) 4.499 16.961 ( -3.929 -0.549 0.198) 3.972 17.042 ( -3.427 -0.355 4.915) 6.003 17.057 ( -4.025 -1.752 5.239) 6.835 17.402 ( -2.022 1.274 -1.473) 2.807 17.418 ( -3.998 -0.520 -1.667) 4.363 17.459 ( -0.423 1.355 -0.570) 1.530 17.489 ( -0.447 -1.649 -3.181) 3.611 17.600 ( 4.251 1.834 0.981) 4.733 17.641 ( 3.313 -2.081 0.954) 4.027 17.955 ( -1.368 0.937 -1.229) 2.064 17.981 ( -1.669 -1.362 -0.108) 2.157 18.029 ( 2.798 0.250 -3.112) 4.193 18.041 ( 2.147 -0.970 -3.256) 4.019 18.219 ( 1.616 0.942 0.691) 1.994 18.225 ( 1.169 0.376 -0.094) 1.232 18.760 ( -1.570 -0.551 1.063) 1.975 18.772 ( -2.236 -1.777 1.470) 3.212 18.948 ( 1.729 1.420 -0.642) 2.327 18.989 ( -0.177 -2.580 -1.042) 2.788 19.372 ( -1.754 0.078 2.805) 3.309 19.417 ( -3.226 -4.195 3.694) 6.454 19.870 ( 4.510 1.866 -1.826) 5.211 19.895 ( 3.474 -0.769 -2.902) 4.591 ======================= Grid point 90 (48/80) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 1.099 2.208 -0.286) 2.483 1.567 ( -4.723 -9.859 2.267) 11.165 1.814 ( 0.542 6.876 -8.498) 10.945 1.932 ( 2.688 -4.646 -3.530) 6.424 2.112 ( 5.241 5.414 6.186) 9.749 2.166 ( 0.177 0.027 6.728) 6.730 2.251 ( -2.499 3.909 0.582) 4.676 2.376 ( -3.072 -6.068 -2.478) 7.239 2.456 ( 1.238 9.948 -1.403) 10.123 2.594 ( -1.874 -1.099 -3.641) 4.240 2.707 ( 4.453 2.265 2.290) 5.495 2.745 ( 6.067 0.806 4.017) 7.321 2.828 ( -5.137 12.523 1.654) 13.637 2.884 ( -1.408 0.742 -1.746) 2.363 2.984 ( 1.768 -9.358 -5.949) 11.229 3.067 ( -5.717 -7.011 -0.194) 9.048 3.099 ( -6.738 7.222 -3.555) 10.497 3.228 ( -2.913 -4.505 -6.884) 8.728 3.463 ( 6.406 1.963 1.284) 6.822 3.474 ( 3.673 1.321 -1.274) 4.106 3.626 ( -1.181 1.317 6.050) 6.304 3.674 ( -1.448 -2.872 5.035) 5.975 3.838 ( 4.870 1.936 -0.509) 5.265 3.872 ( -0.331 2.155 -4.806) 5.277 3.976 ( -2.622 5.436 2.027) 6.367 4.032 ( 1.472 0.746 -1.054) 1.958 4.092 ( 2.039 -0.223 0.226) 2.063 4.149 ( -0.573 -3.324 1.049) 3.533 4.191 ( -2.081 1.969 5.467) 6.172 4.249 ( -3.031 -4.546 7.968) 9.661 4.286 ( -1.599 2.310 6.699) 7.264 4.348 ( 0.819 -0.080 4.928) 4.996 4.582 ( 2.394 0.351 -0.837) 2.560 4.621 ( 2.014 -4.743 -1.127) 5.275 4.765 ( -0.144 2.233 -4.464) 4.994 4.818 ( -0.452 -1.899 -5.582) 5.914 5.156 ( 0.963 4.180 3.847) 5.762 5.255 ( -0.308 -4.604 1.030) 4.728 5.330 ( -0.127 -0.549 1.265) 1.385 5.363 ( -1.066 -3.539 -0.505) 3.730 5.451 ( 1.545 1.425 -1.692) 2.698 5.513 ( -0.228 -4.806 -2.421) 5.386 5.738 ( 0.459 1.692 -0.023) 1.753 5.771 ( -0.120 -1.485 1.504) 2.117 5.900 ( -0.304 2.258 -5.567) 6.015 5.999 ( -1.700 -6.454 -11.968) 13.703 6.204 ( -3.274 5.428 -7.970) 10.183 6.315 ( -4.139 -5.050 -10.971) 12.767 6.472 ( 1.431 6.204 9.554) 11.481 6.606 ( 0.796 -6.544 10.810) 12.661 6.667 ( 1.857 2.579 2.302) 3.925 6.722 ( 1.888 -2.575 0.621) 3.253 6.877 ( 1.709 2.602 5.622) 6.426 6.933 ( 1.333 -2.381 4.962) 5.662 7.058 ( 0.491 4.557 1.411) 4.795 7.155 ( -0.681 -4.625 0.370) 4.689 7.336 ( -0.893 2.708 -0.919) 2.996 7.387 ( 0.550 -2.457 -1.495) 2.928 7.443 ( 2.967 2.006 -2.679) 4.473 7.498 ( 0.997 -2.901 -2.150) 3.746 7.704 ( -2.011 2.988 1.437) 3.878 7.735 ( -2.409 1.305 2.412) 3.650 7.801 ( 0.263 -0.291 -1.113) 1.180 7.833 ( -0.047 -2.213 1.018) 2.436 7.955 ( 1.226 0.397 -2.757) 3.043 7.969 ( 1.016 -0.712 -1.808) 2.192 8.165 ( -1.365 1.161 -1.629) 2.422 8.180 ( -1.829 0.444 -2.642) 3.243 8.229 ( 1.004 1.314 1.346) 2.132 8.266 ( 1.353 -0.990 1.217) 2.072 8.320 ( -0.968 2.980 0.150) 3.137 8.379 ( -0.986 -3.067 -2.187) 3.893 8.525 ( -1.015 1.691 1.470) 2.460 8.553 ( -0.660 -0.688 1.324) 1.632 8.629 ( 0.056 0.337 -0.942) 1.001 8.657 ( 1.413 -2.202 -1.232) 2.892 9.122 ( 0.250 3.542 0.312) 3.564 9.159 ( 1.202 1.819 0.252) 2.195 9.204 ( -0.555 -1.921 0.683) 2.113 9.232 ( -0.031 -3.045 0.563) 3.097 13.378 ( 0.751 12.363 1.450) 12.470 13.535 ( -0.313 12.489 -2.600) 12.761 13.644 ( 0.126 -10.714 2.360) 10.971 13.824 ( -0.565 -12.635 -2.274) 12.850 16.939 ( 1.747 0.002 3.650) 4.047 16.956 ( 1.789 -1.434 3.270) 3.994 17.030 ( -2.958 -0.173 4.978) 5.793 17.046 ( -2.946 -1.628 5.566) 6.505 17.300 ( -2.702 0.465 -5.679) 6.307 17.302 ( -2.508 0.335 -6.088) 6.593 17.463 ( 1.717 -0.308 -4.806) 5.113 17.472 ( 2.446 -0.903 -3.455) 4.328 17.685 ( 0.774 0.793 4.341) 4.481 17.703 ( -0.172 -0.758 4.440) 4.508 17.961 ( 1.940 1.308 1.675) 2.877 17.988 ( 0.978 -0.893 2.098) 2.481 18.045 ( 2.174 -0.179 -3.193) 3.867 18.047 ( 1.892 -0.429 -3.413) 3.925 18.216 ( -1.012 0.854 -1.742) 2.188 18.219 ( -1.245 0.598 -1.174) 1.813 18.751 ( -0.863 -0.954 1.473) 1.956 18.759 ( -0.270 -1.484 1.224) 1.942 18.967 ( -0.863 -0.254 -1.065) 1.394 18.970 ( 1.420 -0.586 -0.927) 1.794 19.401 ( 0.371 -1.128 5.241) 5.374 19.423 ( -1.491 -3.117 6.179) 7.080 19.866 ( -0.879 1.950 -5.665) 6.056 19.893 ( 0.496 -0.783 -5.138) 5.221 ======================= Grid point 91 (49/80) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 6.329 -0.167 2.009) 6.642 1.600 ( 5.761 -7.664 1.460) 9.698 1.763 ( 2.584 14.019 -8.517) 16.606 1.975 ( 3.015 -3.871 -4.137) 6.418 2.193 ( -1.287 0.185 1.836) 2.250 2.228 ( 3.409 -1.943 -0.450) 3.950 2.275 ( -2.927 4.605 3.543) 6.506 2.344 ( 1.530 1.345 4.822) 5.235 2.482 ( 1.837 5.679 -0.186) 5.971 2.580 ( 4.544 -1.378 3.204) 5.728 2.656 ( -4.057 3.060 -7.006) 8.655 2.818 ( 6.044 3.756 -2.051) 7.406 2.862 ( 0.820 1.556 -0.216) 1.773 2.870 ( -1.977 -9.520 -3.459) 10.320 2.975 ( 3.265 4.035 5.119) 7.290 2.978 ( -3.206 10.122 3.437) 11.160 3.080 ( 4.026 -5.210 -0.973) 6.656 3.167 ( 1.145 -3.220 0.634) 3.476 3.477 ( -1.410 -0.168 -2.583) 2.947 3.522 ( 1.961 -1.997 -3.711) 4.648 3.630 ( -2.351 -0.570 -0.147) 2.424 3.684 ( -2.031 -2.720 0.461) 3.426 3.790 ( -2.983 9.883 -2.292) 10.575 3.919 ( -0.732 3.837 -0.324) 3.920 3.970 ( 2.922 1.043 2.869) 4.225 4.022 ( -3.493 -2.500 0.656) 4.345 4.097 ( -3.138 -0.234 1.862) 3.656 4.173 ( 2.278 -2.845 -1.592) 3.977 4.216 ( -1.426 0.042 8.002) 8.128 4.249 ( -3.865 -3.047 6.383) 8.060 4.302 ( -2.190 4.963 4.311) 6.929 4.398 ( -0.798 -3.328 3.924) 5.206 4.596 ( -0.702 1.446 0.111) 1.611 4.666 ( 2.591 -4.303 -0.476) 5.045 4.700 ( -0.799 3.491 -5.191) 6.307 4.771 ( 1.636 -2.464 -4.519) 5.401 5.210 ( -0.007 1.576 3.757) 4.074 5.234 ( -3.361 -1.560 0.685) 3.768 5.289 ( -3.191 0.941 -1.542) 3.667 5.333 ( 0.054 -3.488 2.579) 4.338 5.451 ( -1.192 -1.336 -3.640) 4.057 5.478 ( 0.797 -3.344 -1.267) 3.664 5.753 ( 1.183 1.943 -0.883) 2.440 5.788 ( 0.251 -0.871 -3.650) 3.761 5.893 ( 0.638 -1.109 -2.118) 2.474 5.920 ( 2.031 -2.978 1.893) 4.071 6.064 ( -1.675 -0.491 -7.547) 7.746 6.097 ( -5.462 -3.594 -10.681) 12.524 6.625 ( 1.164 5.471 10.766) 12.133 6.692 ( 2.973 0.909 1.438) 3.425 6.730 ( 0.223 -1.176 -0.791) 1.435 6.760 ( 3.684 -4.436 5.848) 8.212 6.982 ( 3.168 1.934 1.697) 4.081 7.010 ( 2.339 -0.382 0.873) 2.526 7.084 ( -0.136 4.352 2.951) 5.260 7.157 ( 0.874 -2.172 0.744) 2.457 7.280 ( -2.680 3.479 -2.254) 4.936 7.370 ( -0.496 -4.198 -1.187) 4.391 7.478 ( 2.147 1.105 -2.635) 3.574 7.509 ( 3.074 -1.698 -1.770) 3.933 7.661 ( -4.507 3.246 2.779) 6.211 7.713 ( -2.879 -1.504 2.824) 4.304 7.786 ( -0.618 0.354 -1.702) 1.845 7.825 ( -0.731 -2.889 -0.729) 3.068 7.936 ( -0.332 1.780 -2.008) 2.704 7.962 ( 0.127 -0.696 -1.196) 1.390 8.093 ( -3.910 0.489 -1.480) 4.209 8.112 ( -3.038 -0.843 -1.245) 3.389 8.264 ( -0.180 3.047 1.017) 3.218 8.308 ( 1.313 1.032 -0.731) 1.823 8.330 ( 2.899 -0.261 1.429) 3.242 8.342 ( 0.338 -2.567 -1.683) 3.088 8.509 ( -1.702 0.297 0.761) 1.888 8.526 ( -2.334 -1.409 0.830) 2.850 8.649 ( 1.890 1.996 0.210) 2.757 8.687 ( 2.152 -1.539 -1.185) 2.899 9.128 ( 0.003 2.585 0.370) 2.611 9.175 ( 0.636 -0.488 -1.372) 1.590 9.202 ( -0.618 0.420 1.726) 1.880 9.244 ( 0.550 -2.228 0.539) 2.358 13.424 ( 1.639 12.178 2.069) 12.461 13.489 ( -1.028 12.955 -3.116) 13.364 13.677 ( 0.146 -11.184 2.673) 11.500 13.775 ( -1.427 -13.071 -2.580) 13.400 17.026 ( -1.627 0.195 4.138) 4.451 17.035 ( -1.588 -0.670 5.428) 5.696 17.085 ( 7.153 1.312 5.749) 9.270 17.105 ( 5.126 -0.708 6.016) 7.935 17.223 ( 1.559 0.207 -6.525) 6.712 17.234 ( 2.735 -0.733 -5.514) 6.199 17.453 ( 2.453 -0.379 -5.109) 5.681 17.474 ( 2.044 -2.172 -4.923) 5.755 17.706 ( -2.958 0.604 4.744) 5.624 17.722 ( -2.903 -0.753 5.168) 5.976 17.992 ( -1.719 1.888 -2.678) 3.700 18.016 ( 0.221 -0.243 -1.358) 1.397 18.053 ( 2.492 0.330 -2.689) 3.681 18.062 ( 2.750 -0.164 -2.348) 3.620 18.165 ( -1.745 1.244 -0.546) 2.212 18.189 ( -0.093 -0.864 0.361) 0.941 18.760 ( 0.485 0.201 1.241) 1.347 18.787 ( 1.435 -2.201 1.754) 3.159 18.940 ( -0.939 1.439 -0.847) 1.916 18.982 ( 0.947 -2.698 -1.221) 3.109 19.468 ( -1.134 -2.106 7.191) 7.578 19.472 ( 0.023 -2.363 6.556) 6.969 19.755 ( -3.258 3.197 -6.675) 8.087 19.814 ( -2.072 -2.474 -6.239) 7.024 ======================= Grid point 92 (50/80) ======================= q-point: (-0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 3.190 8.725 1.555) 9.420 1.759 ( 7.477 0.727 4.197) 8.606 1.801 ( 7.505 2.768 0.988) 8.061 1.967 ( -0.159 2.192 -1.361) 2.586 2.120 ( -3.553 -1.115 -2.713) 4.607 2.194 ( 2.086 15.577 -7.136) 17.261 2.255 ( -3.723 -6.049 -0.381) 7.113 2.468 ( 3.930 -4.682 1.463) 6.286 2.541 ( 4.350 -1.121 0.329) 4.504 2.628 ( 3.624 2.340 -1.469) 4.557 2.736 ( 5.117 -5.253 -0.721) 7.368 2.762 ( -2.932 -10.421 -2.842) 11.192 2.836 ( -4.623 13.170 7.858) 16.018 2.906 ( 3.890 5.477 0.213) 6.721 3.040 ( 4.746 0.186 -0.365) 4.764 3.080 ( -1.619 -3.289 0.453) 3.694 3.128 ( 3.297 6.110 5.734) 9.004 3.269 ( 3.413 -5.458 2.094) 6.769 3.398 ( -0.902 3.203 -3.981) 5.189 3.510 ( 2.133 -1.485 -5.927) 6.472 3.570 ( -2.494 3.519 -1.084) 4.447 3.632 ( -1.816 -2.970 1.344) 3.732 3.725 ( -3.250 11.119 3.096) 11.991 3.851 ( -4.695 -3.930 0.004) 6.123 3.880 ( -8.647 -3.297 0.115) 9.255 4.039 ( -1.339 -11.456 0.623) 11.551 4.083 ( 0.625 6.867 0.696) 6.931 4.181 ( 0.087 -1.307 -1.510) 1.999 4.232 ( -0.546 3.401 1.293) 3.680 4.267 ( -0.255 2.343 2.620) 3.525 4.302 ( -1.023 0.266 0.837) 1.348 4.404 ( -1.155 -5.550 2.120) 6.052 4.554 ( -2.502 5.015 -0.537) 5.630 4.666 ( 1.041 -0.861 -2.243) 2.618 4.695 ( 0.956 -0.758 -0.648) 1.382 4.780 ( 1.652 -4.364 -1.592) 4.930 5.160 ( -3.110 0.078 -0.694) 3.187 5.182 ( -2.324 -1.744 -0.010) 2.905 5.303 ( 1.567 5.967 2.816) 6.782 5.366 ( -2.152 0.931 -4.485) 5.061 5.380 ( 1.062 -3.708 0.286) 3.868 5.494 ( 1.043 -8.712 0.066) 8.774 5.740 ( 0.273 0.447 -0.916) 1.055 5.781 ( 0.723 -3.373 1.390) 3.719 5.863 ( -1.599 4.202 0.181) 4.500 5.957 ( -0.919 -2.905 -3.748) 4.830 6.007 ( 1.308 -2.588 5.797) 6.482 6.033 ( 1.555 -3.784 1.430) 4.333 6.682 ( -0.563 1.256 1.689) 2.179 6.692 ( -1.486 -0.051 -2.412) 2.834 6.813 ( 3.996 3.484 1.212) 5.438 6.882 ( 3.247 -2.903 3.212) 5.412 6.982 ( 0.357 1.583 -5.211) 5.458 7.013 ( -1.558 -0.699 -0.996) 1.977 7.111 ( 0.640 5.212 -0.223) 5.256 7.202 ( 1.356 -2.992 0.177) 3.290 7.227 ( 0.771 5.683 -2.176) 6.134 7.342 ( -0.790 -4.199 -2.143) 4.780 7.479 ( 1.095 2.734 -2.745) 4.026 7.532 ( -0.019 -2.086 -1.765) 2.732 7.612 ( -3.797 2.837 4.187) 6.324 7.680 ( -3.181 -3.560 3.333) 5.822 7.771 ( 1.623 0.732 -0.354) 1.815 7.817 ( 1.476 -3.428 -0.901) 3.839 7.908 ( -0.345 2.852 -1.517) 3.249 7.958 ( 0.459 -1.495 -0.547) 1.657 8.016 ( -3.696 1.050 1.346) 4.071 8.061 ( -3.027 -2.336 3.165) 4.963 8.244 ( -1.191 3.101 -0.616) 3.379 8.310 ( 0.727 -2.573 -1.874) 3.265 8.365 ( 1.663 1.569 -0.531) 2.348 8.396 ( 1.284 -1.243 1.072) 2.084 8.485 ( -0.642 0.965 0.406) 1.228 8.508 ( -0.853 -1.318 1.638) 2.269 8.679 ( 0.803 1.740 0.153) 1.922 8.709 ( 1.447 -1.104 -0.940) 2.049 9.129 ( -0.027 1.716 -0.132) 1.721 9.160 ( -0.151 -0.956 -1.710) 1.965 9.212 ( -0.068 1.785 0.927) 2.013 9.256 ( 0.254 -2.136 0.045) 2.151 13.441 ( -0.198 14.212 -1.227) 14.266 13.475 ( 0.971 9.476 0.412) 9.534 13.686 ( -0.838 -9.724 0.825) 9.795 13.743 ( -0.452 -13.683 -0.282) 13.694 17.036 ( -1.888 0.455 4.545) 4.943 17.049 ( -2.474 -0.976 5.449) 6.063 17.180 ( 3.777 4.666 -3.219) 6.812 17.216 ( 4.862 3.283 -4.341) 7.298 17.329 ( 7.569 -2.284 4.429) 9.062 17.368 ( 8.082 -3.880 3.699) 9.698 17.446 ( 0.906 -0.293 -4.053) 4.163 17.462 ( 2.707 -1.698 -3.276) 4.576 17.680 ( -4.529 0.646 4.646) 6.520 17.695 ( -4.805 -0.604 4.309) 6.482 17.888 ( -2.922 2.561 -5.787) 6.971 17.933 ( -1.910 -1.517 -7.011) 7.423 18.070 ( 2.350 0.208 -2.818) 3.675 18.082 ( 1.705 -0.881 -2.113) 2.855 18.171 ( 0.220 2.119 1.593) 2.661 18.206 ( -0.171 -1.161 0.980) 1.529 18.793 ( 1.514 1.482 1.074) 2.376 18.835 ( 1.079 -2.023 1.774) 2.899 18.916 ( -0.634 1.807 -0.709) 2.042 18.982 ( 0.581 -4.340 -1.507) 4.631 19.496 ( -3.099 -1.428 5.908) 6.823 19.516 ( -2.018 -3.096 5.157) 6.344 19.649 ( -1.164 3.752 -4.017) 5.618 19.728 ( -0.569 -3.712 -4.082) 5.547 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 9.901 0.000 24.101) 26.055 1.079 ( -11.882 0.000 26.308) 28.866 1.332 ( -8.817 0.000 -24.012) 25.580 1.453 ( -0.756 0.000 31.233) 31.242 1.590 ( 10.036 0.000 -23.775) 25.807 1.899 ( -2.646 0.000 -10.148) 10.487 2.195 ( -2.566 0.000 1.544) 2.995 2.248 ( 4.729 0.000 -3.517) 5.893 2.315 ( -6.469 0.000 -3.709) 7.456 2.327 ( -0.919 0.000 -0.721) 1.168 2.532 ( 0.557 0.000 10.366) 10.381 2.537 ( -7.621 0.000 5.475) 9.384 2.709 ( 10.117 0.000 -6.790) 12.184 2.778 ( 2.550 0.000 -11.744) 12.018 2.955 ( -3.168 0.000 4.468) 5.477 2.998 ( -3.158 0.000 3.462) 4.686 3.068 ( 2.630 0.000 -1.189) 2.886 3.157 ( 2.218 0.000 -6.539) 6.905 3.390 ( 0.286 0.000 0.488) 0.565 3.423 ( 1.629 0.000 0.149) 1.636 3.529 ( 2.126 0.000 7.270) 7.574 3.659 ( -1.981 0.000 -4.652) 5.056 3.788 ( 0.421 0.000 6.363) 6.377 3.886 ( -0.170 0.000 -2.439) 2.445 3.985 ( 5.394 0.000 0.260) 5.401 4.003 ( -3.027 0.000 1.349) 3.314 4.153 ( 2.264 0.000 -3.328) 4.025 4.173 ( -5.646 0.000 -3.311) 6.545 4.282 ( 4.783 0.000 3.023) 5.658 4.349 ( -0.147 0.000 0.030) 0.150 4.411 ( 0.721 0.000 -2.526) 2.627 4.465 ( 0.355 0.000 -3.833) 3.849 4.601 ( -0.455 0.000 2.917) 2.952 4.627 ( -1.318 0.000 0.242) 1.340 4.768 ( -3.320 0.000 1.242) 3.544 4.783 ( 1.915 0.000 -0.731) 2.050 5.181 ( -4.035 0.000 5.215) 6.594 5.238 ( 4.510 0.000 2.064) 4.960 5.345 ( 0.057 0.000 2.868) 2.869 5.485 ( -2.805 0.000 -8.362) 8.820 5.806 ( -1.482 0.000 0.927) 1.748 5.858 ( -1.089 0.000 -4.602) 4.729 6.021 ( -4.008 0.000 1.975) 4.469 6.037 ( 4.343 0.000 0.181) 4.347 6.190 ( 1.627 0.000 1.820) 2.441 6.251 ( -0.407 0.000 -3.162) 3.188 6.403 ( -2.249 0.000 3.874) 4.480 6.460 ( 1.485 0.000 -2.212) 2.664 6.561 ( 6.159 0.000 7.585) 9.771 6.627 ( -0.878 0.000 0.650) 1.093 6.705 ( 2.606 0.000 -3.725) 4.546 6.711 ( -3.711 0.000 -3.402) 5.034 6.869 ( -0.582 0.000 -0.278) 0.645 6.883 ( 1.688 0.000 -1.704) 2.399 7.228 ( 1.596 0.000 2.816) 3.237 7.249 ( -0.383 0.000 0.066) 0.388 7.310 ( 0.107 0.000 2.030) 2.032 7.347 ( 0.479 0.000 -1.734) 1.799 7.524 ( 6.283 0.000 2.842) 6.896 7.568 ( -7.960 0.000 -0.686) 7.989 7.676 ( 0.539 0.000 0.271) 0.604 7.686 ( -0.568 0.000 -1.411) 1.521 7.715 ( -4.249 0.000 5.224) 6.734 7.798 ( 3.878 0.000 -2.909) 4.848 7.997 ( -3.174 0.000 -0.581) 3.227 8.000 ( 1.776 0.000 -0.700) 1.909 8.110 ( -0.959 0.000 1.894) 2.123 8.166 ( -0.212 0.000 -2.960) 2.968 8.240 ( 1.179 0.000 0.140) 1.188 8.254 ( -0.252 0.000 -1.232) 1.258 8.388 ( 0.319 0.000 1.359) 1.396 8.396 ( 0.151 0.000 0.675) 0.692 8.466 ( -4.788 0.000 -0.554) 4.820 8.497 ( 4.030 0.000 -3.141) 5.110 8.768 ( -2.679 0.000 1.385) 3.016 8.778 ( 3.356 0.000 0.570) 3.404 8.889 ( 2.247 0.000 1.410) 2.653 8.928 ( -3.452 0.000 -2.844) 4.473 9.364 ( 1.818 0.000 1.907) 2.635 9.389 ( -1.219 0.000 -0.789) 1.452 12.577 ( -0.285 0.000 0.148) 0.322 12.580 ( 0.300 0.000 -0.218) 0.371 14.211 ( -1.778 0.000 5.868) 6.132 14.338 ( 2.586 0.000 -6.959) 7.424 16.978 ( 2.155 0.000 5.934) 6.313 17.085 ( 0.860 0.000 5.128) 5.200 17.093 ( -0.990 0.000 -3.205) 3.354 17.127 ( -3.341 0.000 3.908) 5.142 17.136 ( -3.694 0.000 2.927) 4.714 17.232 ( -4.716 0.000 -3.887) 6.112 17.267 ( 4.194 0.000 -6.824) 8.010 17.281 ( 3.253 0.000 -6.871) 7.602 17.906 ( 2.610 0.000 8.527) 8.918 17.944 ( -1.396 0.000 3.942) 4.182 18.003 ( -0.326 0.000 -3.234) 3.250 18.053 ( -1.594 0.000 -5.098) 5.342 18.168 ( 0.205 0.000 0.742) 0.770 18.174 ( 0.356 0.000 0.137) 0.381 18.231 ( -0.257 0.000 2.579) 2.592 18.274 ( 0.567 0.000 -1.669) 1.762 18.718 ( -0.766 0.000 0.990) 1.252 18.745 ( 0.688 0.000 -1.783) 1.912 19.191 ( -3.924 0.000 4.592) 6.040 19.280 ( 8.537 0.000 -4.284) 9.552 19.528 ( -0.324 0.000 6.149) 6.158 19.678 ( -2.134 0.000 -8.671) 8.930 19.895 ( -1.011 0.000 5.650) 5.740 19.993 ( 0.844 0.000 -4.294) 4.376 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.427 0.000 -19.900) 19.951 1.211 ( -4.049 0.000 23.751) 24.094 1.237 ( 4.651 0.000 25.856) 26.271 1.578 ( 14.110 0.000 -23.305) 27.243 1.825 ( 9.152 0.000 -15.954) 18.392 1.905 ( 13.071 0.000 17.571) 21.900 2.099 ( -8.146 0.000 0.703) 8.176 2.210 ( -7.447 0.000 5.143) 9.051 2.233 ( -12.078 0.000 9.383) 15.295 2.336 ( 9.580 0.000 -2.082) 9.803 2.499 ( 3.664 0.000 1.477) 3.951 2.683 ( 4.376 0.000 4.253) 6.102 2.708 ( 2.388 0.000 -11.953) 12.189 2.746 ( 2.350 0.000 -2.090) 3.145 2.964 ( -4.227 0.000 1.581) 4.513 3.007 ( 2.776 0.000 4.572) 5.349 3.116 ( 0.502 0.000 -7.584) 7.600 3.120 ( 1.059 0.000 -0.285) 1.097 3.408 ( 1.770 0.000 0.726) 1.913 3.408 ( -3.954 0.000 -3.099) 5.024 3.550 ( -0.560 0.000 -7.106) 7.128 3.604 ( -3.129 0.000 6.677) 7.374 3.799 ( -0.931 0.000 -4.010) 4.116 3.817 ( -3.503 0.000 1.686) 3.888 3.946 ( -2.663 0.000 -5.126) 5.776 4.072 ( -0.305 0.000 1.686) 1.713 4.081 ( 1.020 0.000 1.076) 1.483 4.234 ( 3.901 0.000 4.753) 6.149 4.266 ( -1.028 0.000 -4.577) 4.691 4.345 ( -2.940 0.000 -5.301) 6.062 4.404 ( 2.764 0.000 1.149) 2.993 4.434 ( 0.322 0.000 0.737) 0.804 4.598 ( -1.815 0.000 0.592) 1.909 4.606 ( -1.933 0.000 1.286) 2.322 4.765 ( 0.475 0.000 1.925) 1.983 4.855 ( 4.016 0.000 1.138) 4.174 5.129 ( -5.760 0.000 1.845) 6.048 5.247 ( -1.826 0.000 -3.453) 3.906 5.378 ( -0.068 0.000 -4.066) 4.067 5.447 ( 1.611 0.000 10.030) 10.159 5.745 ( -5.649 0.000 2.579) 6.210 5.750 ( -7.042 0.000 0.002) 7.042 6.028 ( 2.315 0.000 1.051) 2.542 6.148 ( 3.885 0.000 2.050) 4.392 6.181 ( -1.907 0.000 -2.607) 3.230 6.209 ( -0.033 0.000 -2.760) 2.760 6.398 ( -0.917 0.000 3.798) 3.907 6.425 ( -4.449 0.000 -1.219) 4.613 6.520 ( -3.577 0.000 -6.666) 7.565 6.680 ( 3.261 0.000 -0.088) 3.263 6.698 ( 2.287 0.000 -0.448) 2.331 6.746 ( 0.700 0.000 -0.089) 0.706 6.889 ( -2.292 0.000 0.116) 2.295 6.897 ( 3.686 0.000 0.114) 3.688 7.133 ( -5.160 0.000 -0.378) 5.174 7.241 ( -1.624 0.000 -0.773) 1.798 7.262 ( -4.864 0.000 0.386) 4.880 7.308 ( -0.032 0.000 -1.583) 1.584 7.470 ( -0.605 0.000 -0.617) 0.865 7.610 ( -1.153 0.000 0.164) 1.165 7.667 ( -0.449 0.000 -0.597) 0.747 7.668 ( -2.069 0.000 1.137) 2.361 7.707 ( -1.991 0.000 3.858) 4.342 7.850 ( 3.905 0.000 -3.653) 5.347 7.965 ( -0.523 0.000 0.945) 1.080 8.039 ( 1.523 0.000 0.749) 1.697 8.121 ( -2.083 0.000 3.481) 4.057 8.146 ( 1.153 0.000 -0.974) 1.509 8.236 ( 0.089 0.000 -0.950) 0.954 8.278 ( 3.126 0.000 0.332) 3.143 8.373 ( -4.803 0.000 0.250) 4.810 8.404 ( 0.976 0.000 -1.347) 1.664 8.408 ( -0.363 0.000 1.638) 1.678 8.556 ( 3.753 0.000 -0.912) 3.862 8.713 ( -3.350 0.000 -0.289) 3.362 8.805 ( -1.278 0.000 -0.614) 1.418 8.880 ( 1.549 0.000 -1.065) 1.880 8.962 ( 2.587 0.000 3.375) 4.252 9.346 ( -1.652 0.000 -1.625) 2.317 9.400 ( 0.579 0.000 0.274) 0.641 12.575 ( -0.053 0.000 0.202) 0.209 12.586 ( 0.459 0.000 -0.228) 0.513 14.277 ( 1.381 0.000 7.723) 7.846 14.353 ( 6.031 0.000 -8.571) 10.480 17.047 ( 3.147 0.000 -6.459) 7.185 17.114 ( 4.866 0.000 4.267) 6.471 17.117 ( -2.374 0.000 5.120) 5.643 17.148 ( -2.282 0.000 7.299) 7.647 17.171 ( 2.996 0.000 1.844) 3.518 17.177 ( 1.796 0.000 -3.749) 4.157 17.258 ( 3.063 0.000 -6.722) 7.387 17.367 ( 9.140 0.000 1.355) 9.240 17.901 ( -4.485 0.000 -6.226) 7.673 17.932 ( -3.591 0.000 3.494) 5.010 17.969 ( -3.026 0.000 -4.322) 5.276 18.002 ( -0.958 0.000 6.805) 6.872 18.175 ( 0.048 0.000 -0.426) 0.429 18.187 ( 1.620 0.000 -0.077) 1.621 18.244 ( -0.987 0.000 2.191) 2.402 18.264 ( 0.398 0.000 -2.330) 2.364 18.739 ( 1.852 0.000 1.378) 2.309 18.758 ( 2.039 0.000 -1.157) 2.345 19.083 ( -8.482 0.000 0.305) 8.487 19.247 ( -4.073 0.000 -5.594) 6.920 19.583 ( 0.010 0.000 -5.168) 5.168 19.638 ( 1.498 0.000 8.293) 8.427 19.914 ( -2.557 0.000 4.009) 4.755 19.944 ( -0.879 0.000 -4.059) 4.153 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 23.628 0.000 -0.849) 23.643 1.389 ( -2.818 0.000 20.545) 20.738 1.569 ( 5.926 0.000 17.777) 18.738 1.647 ( 10.901 0.000 -11.448) 15.808 1.913 ( 15.270 0.000 -14.678) 21.181 1.931 ( -13.932 0.000 10.107) 17.212 1.947 ( -9.378 0.000 5.895) 11.077 2.155 ( -4.462 0.000 10.314) 11.238 2.291 ( 7.170 0.000 -4.571) 8.503 2.437 ( 4.299 0.000 -6.332) 7.653 2.624 ( -2.953 0.000 -5.955) 6.647 2.630 ( -0.109 0.000 -12.060) 12.061 2.826 ( 14.595 0.000 10.476) 17.965 2.845 ( -4.749 0.000 1.642) 5.025 2.893 ( 1.780 0.000 0.395) 1.823 2.955 ( -7.072 0.000 -2.701) 7.570 2.995 ( -9.844 0.000 -9.313) 13.551 3.101 ( 3.206 0.000 -1.573) 3.571 3.250 ( -5.762 0.000 4.910) 7.570 3.510 ( 8.109 0.000 1.092) 8.183 3.591 ( -3.850 0.000 7.478) 8.411 3.595 ( 8.557 0.000 -3.628) 9.294 3.704 ( -8.412 0.000 -7.866) 11.517 3.718 ( -4.755 0.000 -2.734) 5.485 3.878 ( 4.083 0.000 0.216) 4.088 4.070 ( -0.972 0.000 1.390) 1.696 4.116 ( 0.597 0.000 0.596) 0.844 4.256 ( -0.213 0.000 2.379) 2.389 4.265 ( 0.487 0.000 -4.085) 4.114 4.370 ( 3.346 0.000 0.871) 3.457 4.435 ( -0.878 0.000 2.852) 2.984 4.473 ( 3.237 0.000 0.193) 3.242 4.569 ( -0.602 0.000 1.075) 1.232 4.573 ( 0.160 0.000 -2.156) 2.162 4.839 ( 1.213 0.000 5.870) 5.994 4.904 ( -1.091 0.000 2.300) 2.545 4.975 ( -6.212 0.000 -5.276) 8.150 5.115 ( -6.211 0.000 -6.091) 8.699 5.408 ( 1.293 0.000 1.973) 2.359 5.578 ( -0.336 0.000 12.170) 12.175 5.643 ( -2.394 0.000 3.806) 4.496 5.654 ( -3.988 0.000 -1.357) 4.212 6.098 ( 2.911 0.000 1.365) 3.215 6.114 ( -5.017 0.000 -2.738) 5.715 6.150 ( -2.483 0.000 -0.504) 2.533 6.219 ( 2.392 0.000 -3.975) 4.639 6.275 ( -7.655 0.000 3.847) 8.568 6.370 ( 2.228 0.000 -4.662) 5.167 6.544 ( 3.374 0.000 5.935) 6.827 6.677 ( -6.630 0.000 4.015) 7.750 6.726 ( 3.945 0.000 -5.971) 7.156 6.734 ( 1.941 0.000 -1.237) 2.302 6.849 ( -0.374 0.000 -2.164) 2.197 6.992 ( 4.660 0.000 -0.814) 4.731 7.061 ( -6.419 0.000 -9.435) 11.412 7.154 ( 3.651 0.000 -1.348) 3.892 7.247 ( -0.980 0.000 1.865) 2.107 7.266 ( -0.822 0.000 -3.644) 3.736 7.498 ( 2.582 0.000 0.945) 2.750 7.554 ( -2.833 0.000 -0.369) 2.857 7.633 ( -3.067 0.000 2.591) 4.015 7.657 ( 0.522 0.000 -1.235) 1.341 7.714 ( -1.622 0.000 4.326) 4.620 7.858 ( 2.014 0.000 -4.625) 5.045 7.991 ( 1.399 0.000 2.365) 2.748 8.067 ( 0.853 0.000 0.325) 0.913 8.097 ( -3.453 0.000 3.057) 4.611 8.163 ( 0.126 0.000 0.374) 0.394 8.239 ( 1.084 0.000 -1.245) 1.650 8.263 ( -4.381 0.000 -1.667) 4.687 8.374 ( 3.770 0.000 1.490) 4.054 8.401 ( 0.447 0.000 -1.440) 1.508 8.411 ( -1.324 0.000 2.754) 3.056 8.605 ( 1.136 0.000 -0.280) 1.170 8.647 ( -1.574 0.000 -1.635) 2.270 8.762 ( -1.825 0.000 -1.005) 2.083 8.931 ( 3.119 0.000 1.023) 3.283 9.036 ( 0.748 0.000 3.607) 3.684 9.305 ( -0.541 0.000 -1.627) 1.715 9.391 ( -0.611 0.000 -1.681) 1.788 12.578 ( 0.053 0.000 0.318) 0.322 12.591 ( 0.323 0.000 -0.343) 0.472 14.375 ( -1.949 0.000 9.901) 10.091 14.405 ( 7.944 0.000 -6.807) 10.461 17.071 ( 4.151 0.000 -4.040) 5.792 17.125 ( -2.426 0.000 5.043) 5.596 17.172 ( -0.732 0.000 4.894) 4.949 17.173 ( 1.358 0.000 -2.685) 3.010 17.206 ( 1.196 0.000 -4.006) 4.181 17.231 ( 4.987 0.000 -0.054) 4.988 17.306 ( 3.940 0.000 0.512) 3.973 17.583 ( 7.629 0.000 4.416) 8.815 17.709 ( -6.477 0.000 -10.726) 12.530 17.878 ( -4.846 0.000 1.634) 5.114 17.892 ( -0.010 0.000 -0.542) 0.542 18.009 ( -3.486 0.000 4.045) 5.339 18.172 ( 0.081 0.000 -0.269) 0.281 18.222 ( 1.940 0.000 -1.176) 2.268 18.239 ( -1.861 0.000 2.521) 3.134 18.242 ( 0.070 0.000 -2.081) 2.083 18.800 ( 3.097 0.000 -0.045) 3.098 18.816 ( 4.500 0.000 1.270) 4.676 18.955 ( -3.939 0.000 -0.131) 3.941 19.077 ( -7.787 0.000 -3.763) 8.648 19.572 ( 2.621 0.000 -1.996) 3.295 19.691 ( -3.986 0.000 5.840) 7.071 19.888 ( -2.682 0.000 2.072) 3.389 19.899 ( -0.088 0.000 -2.379) 2.380 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -14.886 0.000 17.135) 22.698 1.580 ( -19.692 0.000 13.164) 23.687 1.661 ( 25.238 0.000 6.619) 26.092 1.750 ( 11.354 0.000 -12.034) 16.545 1.965 ( 1.987 0.000 11.907) 12.071 1.979 ( -0.994 0.000 8.883) 8.939 2.083 ( 12.123 0.000 -5.401) 13.272 2.124 ( -16.897 0.000 -7.093) 18.325 2.250 ( 3.199 0.000 6.244) 7.016 2.267 ( -6.278 0.000 -9.915) 11.735 2.463 ( -6.460 0.000 -6.743) 9.338 2.557 ( 5.231 0.000 -7.543) 9.180 2.714 ( -9.577 0.000 2.212) 9.829 2.803 ( 1.798 0.000 -5.035) 5.347 2.840 ( 5.606 0.000 0.099) 5.606 2.893 ( -0.761 0.000 -4.726) 4.787 3.134 ( 3.797 0.000 1.513) 4.088 3.143 ( 0.066 0.000 -1.328) 1.329 3.319 ( 7.011 0.000 6.594) 9.624 3.427 ( -8.768 0.000 -4.778) 9.986 3.588 ( -7.402 0.000 0.998) 7.469 3.624 ( -0.595 0.000 2.023) 2.109 3.680 ( 7.029 0.000 -1.824) 7.262 3.731 ( 6.679 0.000 -4.536) 8.074 4.016 ( 6.223 0.000 4.081) 7.442 4.082 ( -2.639 0.000 3.065) 4.045 4.109 ( 1.583 0.000 -1.493) 2.176 4.196 ( -2.495 0.000 -4.369) 5.031 4.273 ( -0.392 0.000 3.024) 3.049 4.355 ( -1.223 0.000 -5.531) 5.664 4.465 ( -0.745 0.000 4.284) 4.348 4.511 ( 0.073 0.000 1.316) 1.318 4.629 ( 6.626 0.000 -1.066) 6.711 4.649 ( 1.735 0.000 4.009) 4.368 4.736 ( -3.390 0.000 -1.981) 3.927 4.833 ( -5.702 0.000 -4.867) 7.497 4.959 ( -0.569 0.000 3.132) 3.183 4.985 ( -0.752 0.000 -0.583) 0.951 5.465 ( 4.794 0.000 2.516) 5.414 5.517 ( -5.320 0.000 -1.935) 5.661 5.745 ( 3.467 0.000 10.801) 11.344 5.777 ( 6.025 0.000 8.368) 10.311 5.926 ( -11.560 0.000 -4.483) 12.398 5.971 ( -1.563 0.000 -8.202) 8.349 6.174 ( 2.258 0.000 0.109) 2.261 6.196 ( -0.931 0.000 -3.139) 3.274 6.386 ( 5.344 0.000 11.486) 12.668 6.435 ( 3.898 0.000 0.441) 3.923 6.554 ( -7.953 0.000 0.197) 7.955 6.637 ( -1.271 0.000 6.296) 6.423 6.718 ( -1.529 0.000 -6.112) 6.300 6.729 ( 0.224 0.000 -0.751) 0.784 6.814 ( -0.088 0.000 -4.826) 4.826 6.846 ( 0.818 0.000 -9.552) 9.587 7.094 ( 2.652 0.000 0.962) 2.822 7.136 ( -2.500 0.000 -3.620) 4.399 7.244 ( -1.082 0.000 1.325) 1.711 7.262 ( 1.954 0.000 -0.920) 2.160 7.516 ( -1.840 0.000 1.224) 2.210 7.544 ( 1.536 0.000 -1.147) 1.917 7.618 ( -1.143 0.000 2.913) 3.130 7.662 ( 1.584 0.000 -1.774) 2.378 7.729 ( -2.330 0.000 6.120) 6.549 7.842 ( 1.194 0.000 -5.074) 5.212 8.061 ( 1.628 0.000 2.398) 2.898 8.067 ( -0.929 0.000 3.306) 3.435 8.081 ( -0.210 0.000 0.507) 0.549 8.127 ( -1.467 0.000 -2.545) 2.938 8.209 ( -0.344 0.000 0.132) 0.368 8.245 ( 1.440 0.000 -2.453) 2.844 8.397 ( -0.059 0.000 -0.133) 0.145 8.401 ( -0.617 0.000 0.545) 0.823 8.474 ( 3.248 0.000 3.570) 4.826 8.555 ( -1.482 0.000 -4.285) 4.534 8.669 ( 1.609 0.000 1.754) 2.380 8.711 ( -2.009 0.000 -2.173) 2.960 9.008 ( 2.643 0.000 2.779) 3.835 9.040 ( -2.512 0.000 0.350) 2.536 9.308 ( 1.150 0.000 0.884) 1.450 9.348 ( -1.389 0.000 -2.759) 3.089 12.582 ( -0.022 0.000 0.400) 0.401 12.591 ( 0.043 0.000 -0.439) 0.441 14.372 ( -7.133 0.000 7.529) 10.372 14.518 ( 10.328 0.000 -6.917) 12.430 17.103 ( 0.602 0.000 1.017) 1.182 17.123 ( -2.437 0.000 4.114) 4.782 17.124 ( -3.727 0.000 -2.273) 4.366 17.184 ( -0.301 0.000 -2.481) 2.499 17.246 ( 3.900 0.000 3.598) 5.306 17.318 ( -0.261 0.000 -3.789) 3.798 17.337 ( 3.915 0.000 3.564) 5.294 17.491 ( -4.225 0.000 -9.924) 10.786 17.744 ( 7.000 0.000 2.086) 7.304 17.779 ( -5.417 0.000 -1.224) 5.554 17.963 ( 4.964 0.000 1.334) 5.140 17.965 ( -3.811 0.000 1.367) 4.049 18.174 ( -0.143 0.000 0.740) 0.753 18.199 ( -1.105 0.000 -1.740) 2.061 18.225 ( -2.199 0.000 2.415) 3.266 18.261 ( 1.896 0.000 -1.079) 2.181 18.874 ( 3.193 0.000 1.157) 3.396 18.909 ( -1.979 0.000 -2.511) 3.197 18.911 ( -1.266 0.000 0.695) 1.444 18.912 ( -0.124 0.000 0.545) 0.558 19.619 ( -6.470 0.000 2.370) 6.890 19.650 ( 6.748 0.000 -0.799) 6.795 19.865 ( -1.755 0.000 1.632) 2.397 19.898 ( 1.854 0.000 -1.578) 2.435 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -30.447 0.000 -3.895) 30.695 1.246 ( -19.583 0.000 20.105) 28.066 1.535 ( -25.838 0.000 17.118) 30.994 1.797 ( 6.153 0.000 -19.085) 20.052 1.963 ( -0.409 0.000 -12.910) 12.916 2.088 ( 4.713 0.000 -5.571) 7.297 2.120 ( 8.321 0.000 3.709) 9.111 2.158 ( 0.022 0.000 -1.375) 1.375 2.290 ( 3.685 0.000 2.597) 4.508 2.316 ( -0.276 0.000 6.653) 6.658 2.409 ( -1.091 0.000 9.537) 9.599 2.533 ( 1.615 0.000 -3.897) 4.218 2.757 ( 5.189 0.000 8.168) 9.677 2.858 ( 2.395 0.000 3.798) 4.490 2.911 ( 9.916 0.000 -4.208) 10.772 2.960 ( 4.304 0.000 -4.110) 5.952 2.994 ( -10.750 0.000 -3.911) 11.439 3.154 ( 2.853 0.000 -4.392) 5.237 3.328 ( 1.461 0.000 -2.950) 3.292 3.452 ( -7.988 0.000 4.694) 9.265 3.551 ( 7.744 0.000 7.028) 10.457 3.572 ( -5.779 0.000 -1.445) 5.957 3.735 ( 0.321 0.000 -4.535) 4.546 3.740 ( 4.480 0.000 -4.093) 6.068 3.968 ( -1.770 0.000 -9.136) 9.306 4.089 ( -1.532 0.000 -1.978) 2.502 4.135 ( -0.447 0.000 -0.981) 1.078 4.199 ( 2.146 0.000 3.080) 3.754 4.294 ( -1.823 0.000 4.945) 5.271 4.308 ( 1.484 0.000 -1.147) 1.876 4.497 ( 0.256 0.000 3.298) 3.308 4.522 ( 1.476 0.000 -1.245) 1.931 4.528 ( -3.689 0.000 -4.606) 5.901 4.625 ( -4.033 0.000 -5.342) 6.694 4.840 ( 8.578 0.000 3.996) 9.463 4.883 ( 2.239 0.000 5.888) 6.299 4.983 ( -0.782 0.000 -5.043) 5.103 4.989 ( 3.092 0.000 5.582) 6.381 5.445 ( 0.347 0.000 -0.814) 0.884 5.616 ( 6.275 0.000 2.378) 6.710 5.699 ( -6.427 0.000 -1.664) 6.639 5.790 ( -0.103 0.000 -8.315) 8.316 5.937 ( 3.497 0.000 12.189) 12.680 6.085 ( 8.376 0.000 5.831) 10.206 6.129 ( -2.808 0.000 -2.483) 3.749 6.199 ( 0.862 0.000 0.497) 0.995 6.345 ( -6.160 0.000 -3.609) 7.139 6.389 ( -3.260 0.000 -6.769) 7.513 6.641 ( -1.906 0.000 1.499) 2.424 6.647 ( -3.022 0.000 3.335) 4.500 6.705 ( 5.935 0.000 0.801) 5.989 6.725 ( 0.621 0.000 8.318) 8.341 6.788 ( 4.917 0.000 2.033) 5.320 6.838 ( 1.342 0.000 -2.832) 3.134 7.027 ( -5.328 0.000 -1.817) 5.629 7.123 ( -0.612 0.000 1.572) 1.687 7.230 ( -0.869 0.000 0.183) 0.888 7.277 ( 0.648 0.000 -1.315) 1.466 7.494 ( -1.697 0.000 0.903) 1.922 7.555 ( 1.228 0.000 -0.199) 1.244 7.631 ( 0.046 0.000 1.180) 1.180 7.682 ( 2.455 0.000 -2.004) 3.170 7.746 ( -2.828 0.000 6.867) 7.427 7.801 ( -0.098 0.000 -4.617) 4.618 8.038 ( -1.751 0.000 -1.955) 2.625 8.056 ( -0.953 0.000 1.584) 1.848 8.142 ( 2.836 0.000 -0.767) 2.938 8.160 ( 3.133 0.000 2.192) 3.823 8.211 ( 0.248 0.000 -0.005) 0.248 8.253 ( 2.272 0.000 -1.837) 2.922 8.385 ( -1.408 0.000 -0.393) 1.462 8.395 ( -0.481 0.000 0.420) 0.639 8.495 ( 0.521 0.000 -5.106) 5.133 8.579 ( 4.175 0.000 3.044) 5.167 8.642 ( -2.805 0.000 -2.137) 3.526 8.720 ( 1.210 0.000 2.870) 3.115 8.966 ( -3.855 0.000 -1.833) 4.268 9.067 ( 0.700 0.000 0.984) 1.208 9.297 ( -1.066 0.000 -1.335) 1.709 9.350 ( 1.294 0.000 2.229) 2.577 12.584 ( -0.213 0.000 0.367) 0.424 12.585 ( -0.102 0.000 -0.410) 0.422 14.288 ( -7.518 0.000 5.376) 9.242 14.600 ( 6.458 0.000 -12.700) 14.248 17.014 ( -6.123 0.000 1.076) 6.217 17.112 ( -2.764 0.000 4.958) 5.677 17.123 ( -0.928 0.000 2.461) 2.630 17.130 ( -4.533 0.000 1.241) 4.700 17.280 ( 2.139 0.000 -6.421) 6.768 17.329 ( 0.721 0.000 -1.318) 1.503 17.359 ( 0.079 0.000 -8.788) 8.788 17.482 ( 4.953 0.000 11.282) 12.321 17.667 ( -3.685 0.000 -3.296) 4.944 17.893 ( 6.821 0.000 0.078) 6.821 17.898 ( -2.754 0.000 -0.835) 2.878 18.061 ( 4.745 0.000 -1.038) 4.858 18.167 ( -1.208 0.000 0.087) 1.212 18.179 ( -1.043 0.000 2.167) 2.405 18.205 ( -2.014 0.000 2.079) 2.895 18.279 ( 1.333 0.000 -1.443) 1.964 18.808 ( -3.768 0.000 -0.555) 3.809 18.841 ( -3.226 0.000 -1.092) 3.406 18.953 ( 1.584 0.000 -0.389) 1.631 19.007 ( 5.734 0.000 3.260) 6.596 19.542 ( -2.955 0.000 1.378) 3.260 19.775 ( 6.243 0.000 -2.368) 6.677 19.856 ( -0.857 0.000 1.904) 2.088 19.930 ( 3.402 0.000 -2.149) 4.024 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -17.267 0.000 10.906) 20.422 1.106 ( -18.019 0.000 25.073) 30.876 1.354 ( -18.500 0.000 28.887) 34.303 1.680 ( 5.574 0.000 -22.851) 23.521 1.695 ( -5.271 0.000 -20.930) 21.584 2.055 ( -7.831 0.000 1.065) 7.903 2.174 ( 7.367 0.000 -4.428) 8.595 2.283 ( -7.555 0.000 3.124) 8.175 2.330 ( 3.429 0.000 -5.298) 6.311 2.337 ( 8.730 0.000 0.320) 8.736 2.517 ( 1.092 0.000 3.904) 4.053 2.558 ( -1.973 0.000 7.146) 7.413 2.664 ( -7.869 0.000 -8.967) 11.930 2.856 ( -2.244 0.000 -4.932) 5.418 2.915 ( 3.357 0.000 5.373) 6.336 2.978 ( 0.986 0.000 3.775) 3.902 3.128 ( -1.407 0.000 -6.834) 6.977 3.140 ( 6.975 0.000 -1.763) 7.194 3.368 ( 2.745 0.000 0.599) 2.810 3.395 ( -2.352 0.000 4.378) 4.969 3.455 ( -1.953 0.000 0.035) 1.953 3.699 ( 0.500 0.000 2.150) 2.207 3.725 ( 1.141 0.000 1.437) 1.835 3.815 ( 5.182 0.000 0.423) 5.199 3.911 ( 4.584 0.000 -5.924) 7.490 4.058 ( -1.501 0.000 1.858) 2.388 4.119 ( 0.661 0.000 -0.477) 0.815 4.243 ( 1.925 0.000 2.120) 2.863 4.283 ( -1.495 0.000 -5.027) 5.244 4.288 ( -3.214 0.000 2.465) 4.050 4.456 ( 1.268 0.000 -2.336) 2.658 4.496 ( -0.671 0.000 -7.543) 7.573 4.576 ( 0.685 0.000 2.479) 2.572 4.583 ( 3.020 0.000 3.246) 4.433 4.834 ( -4.441 0.000 -6.445) 7.827 4.863 ( -5.154 0.000 0.993) 5.249 5.063 ( 7.496 0.000 7.203) 10.396 5.145 ( 2.129 0.000 7.214) 7.522 5.396 ( -2.679 0.000 -4.773) 5.473 5.617 ( -2.558 0.000 -6.438) 6.928 5.756 ( 6.616 0.000 1.191) 6.722 5.825 ( 8.557 0.000 -5.118) 9.970 6.043 ( -3.409 0.000 -1.024) 3.559 6.057 ( -2.096 0.000 9.753) 9.976 6.174 ( 0.047 0.000 -2.009) 2.009 6.233 ( 0.094 0.000 -3.230) 3.232 6.332 ( 7.079 0.000 9.193) 11.603 6.367 ( 1.498 0.000 3.925) 4.201 6.515 ( -3.987 0.000 -5.055) 6.438 6.627 ( -1.571 0.000 1.937) 2.494 6.719 ( 0.071 0.000 -3.102) 3.103 6.804 ( -2.685 0.000 -0.607) 2.752 6.854 ( 4.772 0.000 1.485) 4.998 6.910 ( -3.074 0.000 -0.911) 3.206 7.125 ( 2.717 0.000 0.459) 2.756 7.131 ( 11.276 0.000 11.733) 16.273 7.248 ( 1.054 0.000 3.392) 3.553 7.275 ( 1.281 0.000 -0.726) 1.472 7.472 ( -0.434 0.000 -0.668) 0.796 7.592 ( 1.707 0.000 1.267) 2.125 7.649 ( 0.752 0.000 1.226) 1.438 7.705 ( 1.501 0.000 -2.559) 2.967 7.754 ( -3.537 0.000 6.121) 7.070 7.767 ( 1.212 0.000 -2.343) 2.638 7.999 ( -0.083 0.000 -2.088) 2.089 8.047 ( -1.121 0.000 0.116) 1.127 8.176 ( -1.215 0.000 -3.617) 3.816 8.177 ( 1.626 0.000 -1.566) 2.257 8.220 ( 0.796 0.000 -0.062) 0.798 8.275 ( -1.816 0.000 0.471) 1.876 8.363 ( 1.230 0.000 0.390) 1.290 8.392 ( -0.154 0.000 0.238) 0.283 8.475 ( 2.124 0.000 -4.265) 4.764 8.560 ( -3.791 0.000 -1.529) 4.088 8.689 ( 4.241 0.000 2.234) 4.794 8.768 ( 0.425 0.000 3.016) 3.046 8.882 ( -2.367 0.000 -1.077) 2.600 9.029 ( -3.041 0.000 -3.166) 4.389 9.307 ( 1.423 0.000 2.099) 2.536 9.391 ( 0.861 0.000 1.144) 1.432 12.580 ( 0.000 0.000 -0.312) 0.312 12.582 ( -0.355 0.000 0.234) 0.425 14.220 ( -4.987 0.000 5.496) 7.421 14.468 ( -4.592 0.000 -12.966) 13.755 16.942 ( -3.554 0.000 4.095) 5.422 17.068 ( -3.790 0.000 4.030) 5.532 17.107 ( -2.515 0.000 4.363) 5.036 17.128 ( -1.926 0.000 3.954) 4.398 17.251 ( -3.998 0.000 -4.715) 6.182 17.265 ( 3.261 0.000 -7.025) 7.745 17.304 ( 2.518 0.000 -8.105) 8.487 17.464 ( -10.526 0.000 -7.160) 12.730 17.737 ( 5.730 0.000 9.872) 11.414 17.899 ( 1.717 0.000 2.906) 3.375 17.989 ( 4.306 0.000 -2.418) 4.938 18.109 ( 2.059 0.000 -4.228) 4.703 18.159 ( -0.344 0.000 1.223) 1.271 18.166 ( -1.557 0.000 2.066) 2.587 18.209 ( -0.651 0.000 3.212) 3.277 18.280 ( 0.442 0.000 -1.540) 1.602 18.744 ( -2.564 0.000 0.199) 2.572 18.773 ( -1.654 0.000 -2.056) 2.639 19.059 ( 9.692 0.000 3.245) 10.221 19.143 ( 3.142 0.000 5.018) 5.921 19.523 ( -1.206 0.000 1.392) 1.842 19.788 ( 0.048 0.000 -6.709) 6.709 19.866 ( -1.048 0.000 3.603) 3.752 19.982 ( 3.967 0.000 -2.975) 4.959 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 6.760 10.349 19.014) 22.679 1.114 ( 0.924 4.848 24.971) 25.454 1.347 ( -3.091 1.622 -20.289) 20.587 1.595 ( -3.739 3.630 -21.861) 22.473 1.674 ( -6.013 17.102 24.929) 30.824 2.010 ( 1.152 6.757 -4.622) 8.267 2.189 ( 3.863 0.641 -1.924) 4.363 2.232 ( -4.825 0.984 -5.661) 7.504 2.341 ( -1.264 4.106 6.029) 7.403 2.464 ( 0.520 8.863 -7.415) 11.567 2.560 ( -6.720 3.861 9.685) 12.404 2.620 ( 0.072 5.457 5.196) 7.535 2.719 ( 4.900 1.856 -6.025) 7.985 2.807 ( 4.693 2.798 -11.814) 13.016 2.957 ( -0.543 0.676 3.327) 3.438 3.007 ( -4.187 0.257 0.676) 4.249 3.095 ( 1.370 3.178 2.401) 4.212 3.192 ( 0.934 1.935 -4.655) 5.127 3.325 ( 0.436 -4.968 1.845) 5.318 3.399 ( 4.459 -2.230 -1.906) 5.337 3.555 ( -1.107 0.629 2.885) 3.154 3.617 ( -0.750 -3.984 -3.273) 5.210 3.806 ( 2.260 1.104 5.529) 6.074 3.904 ( 0.399 0.995 -1.268) 1.660 3.960 ( -0.822 -2.193 0.270) 2.358 4.020 ( 1.844 1.856 -0.241) 2.627 4.101 ( 1.228 -3.768 -2.160) 4.513 4.171 ( -5.066 -0.017 -5.728) 7.647 4.301 ( 2.876 1.408 3.647) 4.853 4.324 ( 1.505 -2.369 3.377) 4.391 4.410 ( -0.289 -2.395 -4.126) 4.779 4.434 ( -0.347 0.175 -4.737) 4.753 4.579 ( -0.398 -1.875 2.770) 3.368 4.620 ( -0.248 -0.808 -0.924) 1.253 4.806 ( -3.398 3.582 2.388) 5.484 4.845 ( 1.691 3.821 -0.855) 4.265 5.170 ( -1.608 -1.447 3.408) 4.037 5.187 ( 1.311 -4.196 2.704) 5.162 5.380 ( 0.978 2.433 3.360) 4.262 5.491 ( -1.628 0.520 -6.627) 6.844 5.722 ( -4.094 -5.903 1.919) 7.435 5.790 ( 2.221 -4.885 -4.814) 7.209 6.008 ( 4.031 -2.766 2.638) 5.555 6.051 ( -2.583 -1.422 -1.858) 3.485 6.213 ( -2.112 -0.412 3.260) 3.906 6.246 ( 1.646 1.372 -0.794) 2.285 6.380 ( 0.170 -2.608 1.571) 3.050 6.407 ( -1.816 -3.477 -2.849) 4.848 6.524 ( 6.060 -3.363 7.581) 10.272 6.638 ( -4.785 -2.370 -2.463) 5.881 6.649 ( 0.603 0.198 2.085) 2.180 6.713 ( 2.159 0.365 -3.762) 4.353 6.885 ( 0.358 2.099 1.222) 2.455 6.941 ( 1.132 2.816 -3.839) 4.894 7.146 ( -1.118 -9.413 0.660) 9.502 7.155 ( 0.495 -8.785 0.205) 8.801 7.253 ( 2.575 -2.871 4.475) 5.907 7.310 ( -2.022 0.272 -1.874) 2.770 7.494 ( 3.650 -1.538 3.150) 5.061 7.538 ( -3.700 -1.440 -0.063) 3.971 7.665 ( -0.238 -0.216 1.400) 1.436 7.700 ( -1.118 0.810 -0.362) 1.427 7.747 ( -1.745 2.205 2.441) 3.724 7.818 ( 2.556 1.443 -3.228) 4.362 7.977 ( 0.653 -1.427 0.801) 1.762 7.998 ( -1.200 -0.382 -1.080) 1.659 8.104 ( 0.668 -0.359 1.537) 1.714 8.148 ( -0.555 -1.456 -2.188) 2.686 8.249 ( -0.265 0.486 -0.167) 0.578 8.258 ( -0.103 -0.038 -1.058) 1.064 8.381 ( 0.668 -0.371 1.329) 1.533 8.398 ( -0.794 0.165 -0.044) 0.812 8.474 ( -1.482 0.524 -0.293) 1.599 8.500 ( 1.941 0.129 -2.317) 3.025 8.749 ( -2.733 -1.481 1.966) 3.678 8.771 ( 3.191 -0.664 -0.143) 3.263 8.911 ( 1.590 2.229 1.076) 2.942 8.948 ( -2.939 1.825 -2.845) 4.479 9.349 ( 1.601 -1.329 1.812) 2.759 9.371 ( -0.975 -1.472 -0.393) 1.809 12.687 ( 0.230 9.435 1.778) 9.604 12.749 ( -0.151 13.153 -5.263) 14.168 14.177 ( -1.433 -3.271 5.281) 6.375 14.290 ( 1.935 -4.542 -6.117) 7.860 17.015 ( 2.603 2.797 4.076) 5.587 17.039 ( 0.450 -1.182 3.987) 4.183 17.124 ( -1.035 -0.177 -2.900) 3.084 17.151 ( -4.809 1.769 -2.985) 5.930 17.190 ( -2.783 3.571 2.938) 5.397 17.208 ( -2.868 2.103 6.162) 7.114 17.329 ( 3.166 4.544 -7.519) 9.338 17.347 ( 2.358 4.552 -7.542) 9.119 17.884 ( 2.624 -2.131 7.815) 8.514 17.925 ( -1.602 -2.084 3.884) 4.690 17.977 ( 0.706 -2.959 -2.535) 3.960 18.035 ( -2.127 -2.199 -4.658) 5.573 18.137 ( -0.853 -2.470 1.147) 2.854 18.153 ( 1.272 -1.953 -0.256) 2.345 18.175 ( 1.212 -3.606 3.418) 5.115 18.241 ( -0.038 -2.544 -2.705) 3.713 18.740 ( -0.396 1.774 0.562) 1.903 18.758 ( 0.554 1.067 -1.223) 1.715 19.155 ( -3.685 -3.235 4.501) 6.657 19.246 ( 6.478 -3.284 -4.730) 8.667 19.531 ( 0.954 0.284 5.695) 5.781 19.659 ( -2.582 -1.844 -7.117) 7.792 19.861 ( -0.974 -2.869 5.905) 6.637 19.958 ( 0.851 -3.287 -4.118) 5.338 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.529 7.729 -17.865) 19.473 1.206 ( 3.004 5.876 17.304) 18.520 1.451 ( 8.863 -4.611 -15.806) 18.699 1.480 ( 4.612 13.529 19.521) 24.194 1.956 ( 3.838 2.920 10.554) 11.603 1.988 ( 2.187 5.463 0.753) 5.933 2.092 ( 2.445 7.362 -6.739) 10.275 2.220 ( -3.514 2.331 4.209) 5.958 2.319 ( -7.933 5.619 4.767) 10.827 2.426 ( 3.595 7.384 -2.985) 8.738 2.568 ( 1.547 6.703 6.627) 9.552 2.689 ( 1.691 0.525 -2.664) 3.199 2.736 ( 4.548 0.767 2.033) 5.041 2.769 ( 1.528 4.293 -9.961) 10.954 2.961 ( -2.759 -1.319 1.441) 3.380 3.031 ( 1.953 1.708 3.631) 4.463 3.119 ( -0.291 2.342 -3.699) 4.387 3.161 ( -0.169 1.974 -0.934) 2.190 3.321 ( -0.764 -4.383 -1.999) 4.877 3.384 ( -1.452 -4.300 -2.852) 5.360 3.528 ( 0.532 -2.693 -1.241) 3.012 3.629 ( -2.999 1.514 1.931) 3.874 3.786 ( -3.256 -1.709 -6.473) 7.444 3.843 ( -1.271 2.661 1.833) 3.472 3.970 ( -1.935 2.355 -2.054) 3.675 4.025 ( 0.570 -5.129 0.115) 5.162 4.064 ( -0.634 -0.568 2.089) 2.256 4.207 ( 3.137 -0.747 2.190) 3.899 4.293 ( -0.992 -1.678 -6.148) 6.450 4.332 ( -1.899 0.846 -0.671) 2.185 4.398 ( 0.592 -1.913 1.029) 2.251 4.416 ( 2.234 0.548 1.587) 2.795 4.559 ( -1.963 -2.721 0.776) 3.443 4.627 ( 0.163 1.251 0.771) 1.479 4.794 ( -0.565 2.189 2.575) 3.426 4.906 ( 3.057 3.166 0.661) 4.450 5.084 ( -5.276 -2.792 0.144) 5.971 5.263 ( 1.178 -0.352 -1.229) 1.738 5.399 ( -0.813 1.410 -4.404) 4.696 5.464 ( 1.636 1.875 6.974) 7.405 5.627 ( -6.722 -6.118 2.665) 9.472 5.774 ( -2.442 -1.480 -0.255) 2.866 6.005 ( 1.103 -2.659 -1.956) 3.480 6.084 ( -0.012 -6.468 -0.367) 6.478 6.162 ( -2.527 0.209 4.058) 4.785 6.241 ( -0.803 1.426 -2.510) 2.996 6.340 ( -5.375 -7.207 1.750) 9.159 6.427 ( 0.603 1.588 -0.155) 1.706 6.477 ( -2.960 -3.904 -4.440) 6.611 6.672 ( 0.907 -0.312 0.222) 0.984 6.696 ( 2.770 1.040 1.409) 3.277 6.747 ( 5.630 -2.183 -2.468) 6.523 6.889 ( -4.582 2.342 -2.557) 5.746 6.917 ( 1.531 0.506 0.247) 1.631 7.097 ( -0.281 -3.371 2.154) 4.011 7.133 ( -2.642 -9.439 -0.621) 9.821 7.227 ( -2.670 -0.432 -3.694) 4.578 7.337 ( 2.683 1.339 2.132) 3.680 7.475 ( -0.757 0.447 -2.133) 2.307 7.573 ( 0.046 -2.616 1.095) 2.837 7.665 ( -1.995 -0.151 2.560) 3.249 7.677 ( -0.272 1.104 -1.064) 1.557 7.744 ( -1.559 2.743 3.334) 4.591 7.833 ( 2.413 -0.699 -3.395) 4.223 7.978 ( 0.339 0.468 -0.378) 0.691 8.026 ( 2.418 -0.895 1.106) 2.805 8.092 ( -2.116 -1.999 -1.102) 3.112 8.161 ( 2.012 -0.278 1.406) 2.470 8.223 ( -1.962 0.298 0.047) 1.985 8.260 ( 0.816 -1.892 0.347) 2.089 8.364 ( -2.015 0.221 -0.252) 2.043 8.399 ( -1.820 -0.286 1.980) 2.705 8.441 ( 1.457 1.672 -2.170) 3.103 8.559 ( 3.590 0.124 -0.546) 3.634 8.699 ( -3.469 -0.984 0.445) 3.634 8.803 ( 0.365 -0.670 -1.267) 1.479 8.899 ( 0.356 2.151 -0.555) 2.250 8.974 ( 2.326 1.187 3.292) 4.202 9.334 ( -1.419 -1.078 -1.494) 2.326 9.384 ( 0.711 -1.389 0.175) 1.570 12.682 ( -1.504 9.562 -0.494) 9.692 12.716 ( -0.271 10.928 0.455) 10.941 14.233 ( 1.100 -4.276 5.633) 7.157 14.301 ( 5.018 -4.805 -6.186) 9.302 17.015 ( 0.085 -1.313 -2.794) 3.088 17.057 ( -0.134 -4.153 -0.814) 4.234 17.145 ( 1.889 2.679 2.566) 4.163 17.171 ( 1.956 2.098 5.808) 6.478 17.184 ( -2.878 3.144 6.176) 7.504 17.287 ( 4.191 4.827 -0.424) 6.407 17.315 ( 3.075 4.812 -4.856) 7.496 17.378 ( 7.562 1.492 -1.042) 7.778 17.859 ( -4.438 -3.674 -3.088) 6.537 17.898 ( -5.563 -4.113 -1.681) 7.120 17.972 ( -1.294 0.145 -1.012) 1.649 17.995 ( -0.167 -0.805 4.991) 5.059 18.134 ( -0.259 -3.278 -0.190) 3.294 18.169 ( 1.162 -2.066 -0.543) 2.432 18.199 ( -0.411 -2.771 -1.320) 3.097 18.219 ( 0.008 -3.488 0.140) 3.491 18.750 ( 1.437 1.151 0.039) 1.841 18.782 ( 2.487 1.650 -0.276) 2.998 19.071 ( -7.228 -1.356 1.791) 7.569 19.215 ( -3.145 -2.967 -5.220) 6.778 19.558 ( -0.501 -2.130 -3.221) 3.894 19.654 ( 2.732 1.189 5.610) 6.352 19.864 ( -2.983 -3.951 2.086) 5.372 19.933 ( 0.020 -1.627 -2.132) 2.682 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 22.026 5.031 -1.670) 22.655 1.430 ( -0.024 5.064 15.024) 15.854 1.507 ( 12.898 -6.743 -14.998) 20.899 1.736 ( 1.037 9.477 18.506) 20.817 1.849 ( -7.747 0.824 9.265) 12.105 2.060 ( -2.162 8.688 3.230) 9.517 2.153 ( -6.429 9.640 3.042) 11.980 2.186 ( 4.418 6.909 -1.267) 8.298 2.288 ( 5.889 -0.546 -2.041) 6.257 2.461 ( 1.657 2.491 -5.748) 6.480 2.624 ( -4.154 -1.817 -4.730) 6.552 2.659 ( -1.826 3.622 -10.084) 10.869 2.772 ( -0.608 -2.719 -2.095) 3.485 2.871 ( 6.635 2.258 6.193) 9.353 2.928 ( -4.909 0.515 3.239) 5.904 2.955 ( -3.703 -1.697 -6.887) 8.001 3.007 ( -4.157 4.956 -2.500) 6.935 3.168 ( 3.350 5.220 -2.964) 6.874 3.283 ( -2.234 2.401 4.239) 5.359 3.397 ( 5.959 -7.452 -2.013) 9.752 3.526 ( -3.084 -4.739 2.905) 6.357 3.595 ( -1.536 1.087 4.102) 4.513 3.743 ( 4.330 2.384 -0.548) 4.974 3.860 ( -4.292 7.782 -5.500) 10.451 3.870 ( 3.880 0.983 -1.881) 4.423 4.043 ( -1.493 -6.373 1.620) 6.743 4.052 ( -1.473 -1.964 -0.335) 2.477 4.216 ( -1.894 -2.504 3.774) 4.909 4.232 ( 2.591 -3.331 -4.664) 6.290 4.337 ( -0.157 -0.151 -2.900) 2.908 4.424 ( -0.712 -2.082 3.231) 3.909 4.499 ( 1.209 0.464 2.578) 2.885 4.549 ( 0.923 -0.458 2.261) 2.485 4.637 ( 2.470 4.063 -0.624) 4.796 4.838 ( 0.130 -0.124 4.006) 4.010 4.915 ( -3.422 -0.640 0.099) 3.482 5.001 ( -1.637 3.543 -2.226) 4.493 5.154 ( -5.222 3.034 -6.500) 8.873 5.392 ( -0.465 -1.486 0.579) 1.662 5.564 ( 0.101 -1.506 8.696) 8.826 5.597 ( 2.813 -2.388 2.337) 4.367 5.699 ( -5.008 1.917 2.048) 5.740 6.029 ( 1.127 -5.215 -2.956) 6.099 6.073 ( -0.872 -5.874 1.017) 6.024 6.132 ( -5.098 -0.579 0.372) 5.144 6.190 ( -1.888 -2.657 -3.749) 4.968 6.250 ( -3.330 -2.712 6.894) 8.122 6.338 ( 0.980 -3.218 -6.839) 7.621 6.513 ( -0.344 -1.929 3.754) 4.234 6.677 ( 1.194 -2.755 -5.487) 6.255 6.716 ( 1.011 0.913 0.847) 1.604 6.782 ( -1.287 5.023 -1.509) 5.400 6.851 ( 2.887 -0.490 0.749) 3.023 6.947 ( 2.589 -2.505 -1.549) 3.921 7.033 ( -3.890 -3.095 -5.862) 7.686 7.129 ( -2.017 -3.908 -1.355) 4.602 7.200 ( 4.533 2.925 0.381) 5.408 7.375 ( 0.115 5.163 -1.506) 5.380 7.478 ( 2.399 -1.939 0.436) 3.115 7.538 ( -2.823 -1.635 0.179) 3.267 7.646 ( -2.476 1.120 2.856) 3.942 7.675 ( 1.118 1.375 -1.353) 2.230 7.754 ( -1.763 2.934 4.691) 5.807 7.843 ( 2.363 -0.385 -3.546) 4.279 7.989 ( 0.959 -0.548 0.248) 1.132 8.039 ( -2.406 -3.098 0.368) 3.940 8.088 ( 2.301 -0.143 0.697) 2.408 8.180 ( -2.179 1.718 2.113) 3.488 8.215 ( 1.709 -2.138 -1.100) 2.950 8.249 ( -2.481 -1.366 -1.745) 3.327 8.334 ( -0.178 -1.621 1.420) 2.163 8.393 ( -0.300 -0.490 0.106) 0.584 8.462 ( 1.724 2.465 0.168) 3.013 8.602 ( 0.610 -0.332 -0.343) 0.775 8.638 ( -1.664 -0.509 -0.806) 1.917 8.770 ( -1.426 0.200 -2.111) 2.555 8.943 ( 2.681 1.382 1.875) 3.552 9.046 ( 0.880 0.919 3.557) 3.777 9.297 ( -0.440 -0.746 -1.571) 1.794 9.379 ( -0.461 -1.108 -1.530) 1.944 12.663 ( -0.281 8.061 0.235) 8.069 12.708 ( -0.977 10.030 0.117) 10.078 14.304 ( 1.199 -6.385 3.891) 7.573 14.355 ( 4.001 -4.811 -1.621) 6.463 17.023 ( 3.149 -3.400 -2.090) 5.083 17.084 ( 3.248 -4.742 -0.745) 5.796 17.149 ( -2.651 2.225 3.736) 5.093 17.170 ( -3.915 1.760 4.666) 6.340 17.285 ( 1.228 4.482 -2.078) 5.090 17.309 ( 5.313 1.287 -1.243) 5.607 17.337 ( 0.649 4.549 -0.458) 4.618 17.588 ( 7.734 0.515 5.178) 9.322 17.674 ( -6.220 -3.548 -10.526) 12.731 17.825 ( -0.512 -4.028 1.515) 4.334 17.925 ( -2.917 1.948 0.415) 3.533 18.006 ( -2.967 -0.673 3.545) 4.671 18.120 ( 0.267 -4.176 -2.185) 4.720 18.158 ( -0.474 -4.914 -3.193) 5.879 18.202 ( 1.779 -1.781 -0.308) 2.535 18.219 ( -1.334 -2.507 2.014) 3.481 18.797 ( 3.281 0.243 0.045) 3.290 18.846 ( 4.383 1.569 0.100) 4.656 18.970 ( -4.518 0.786 1.548) 4.840 19.066 ( -6.738 -1.015 -3.758) 7.782 19.558 ( 2.584 -1.421 -0.746) 3.042 19.714 ( -2.482 1.879 3.837) 4.942 19.830 ( -1.766 -4.074 1.636) 4.732 19.902 ( -0.757 -0.990 -1.939) 2.305 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -17.413 -1.430 13.526) 22.096 1.637 ( 13.423 -5.102 -12.308) 18.913 1.691 ( 22.096 2.561 8.177) 23.700 1.748 ( -16.396 8.630 6.155) 19.524 1.925 ( 3.888 2.020 9.686) 10.631 2.120 ( 0.375 7.729 8.929) 11.815 2.142 ( -0.802 4.669 -2.400) 5.310 2.196 ( -11.005 5.270 2.888) 12.538 2.301 ( 2.356 5.370 1.601) 6.079 2.351 ( -3.692 6.453 -6.662) 9.982 2.490 ( -3.806 1.386 -5.136) 6.541 2.528 ( 4.590 -1.997 -5.617) 7.524 2.659 ( -5.326 -2.291 -1.480) 5.983 2.752 ( 2.511 -2.822 -9.075) 9.830 2.872 ( -0.676 -1.039 -1.097) 1.655 2.888 ( 1.820 2.800 -2.814) 4.367 3.136 ( -1.169 1.084 2.577) 3.030 3.200 ( 4.267 1.783 -3.526) 5.816 3.324 ( 0.312 1.125 5.208) 5.338 3.409 ( -2.210 -1.745 -3.839) 4.762 3.614 ( 2.272 2.852 7.792) 8.603 3.628 ( 0.957 1.171 5.972) 6.161 3.757 ( 0.006 3.378 -6.338) 7.182 3.770 ( 0.728 6.910 -6.594) 9.579 3.963 ( 5.955 -5.243 0.945) 7.990 3.990 ( -2.969 -8.154 -1.818) 8.866 4.111 ( 4.491 -0.198 4.678) 6.487 4.202 ( -3.328 -0.944 0.739) 3.538 4.251 ( -4.298 -2.906 -3.500) 6.258 4.273 ( 4.567 -1.007 -2.137) 5.142 4.451 ( 0.192 -1.975 3.627) 4.134 4.503 ( -0.647 -1.417 -0.487) 1.632 4.619 ( 2.429 -0.261 5.227) 5.770 4.707 ( 0.527 2.484 -1.638) 3.021 4.775 ( -2.608 2.234 -1.481) 3.740 4.816 ( -3.064 -0.144 -2.834) 4.176 5.008 ( 1.241 4.712 2.137) 5.320 5.041 ( -2.383 4.524 -1.653) 5.374 5.449 ( 4.926 -1.352 4.347) 6.707 5.523 ( -5.382 -0.319 -3.189) 6.264 5.711 ( 2.662 -2.908 9.688) 10.460 5.793 ( 6.537 0.476 5.994) 8.882 5.903 ( -9.531 -2.592 -4.256) 10.755 5.938 ( -2.626 -3.033 -6.361) 7.521 6.120 ( 0.802 -4.648 1.850) 5.067 6.180 ( 0.789 -1.791 -4.755) 5.142 6.313 ( 3.022 -6.745 5.816) 9.405 6.391 ( 0.749 -2.710 1.639) 3.255 6.466 ( -2.735 -5.035 2.296) 6.173 6.628 ( 0.247 -5.001 -4.727) 6.886 6.730 ( -3.965 5.211 0.575) 6.573 6.780 ( 3.855 1.756 -2.561) 4.950 6.859 ( -2.068 6.167 0.537) 6.527 6.917 ( 0.581 2.978 -5.155) 5.982 7.021 ( 3.785 -4.931 -0.063) 6.217 7.053 ( -2.992 -4.143 -3.025) 5.939 7.289 ( 2.178 2.740 2.193) 4.131 7.331 ( -2.340 4.312 -2.077) 5.328 7.503 ( -1.571 -1.220 1.197) 2.322 7.526 ( 1.838 -1.763 -0.776) 2.663 7.635 ( -1.978 1.061 3.404) 4.078 7.688 ( 2.106 1.938 -2.142) 3.575 7.762 ( -2.602 2.631 4.969) 6.195 7.850 ( 2.105 1.192 -3.917) 4.604 8.003 ( -1.317 -3.606 1.239) 4.033 8.022 ( 1.618 -2.941 -0.256) 3.367 8.130 ( 0.060 2.569 2.066) 3.297 8.154 ( -1.287 1.632 -0.556) 2.152 8.184 ( -1.326 -1.789 0.694) 2.333 8.236 ( 2.257 -1.118 -3.074) 3.974 8.346 ( -1.350 -2.871 2.336) 3.940 8.393 ( 1.980 -1.277 -2.293) 3.288 8.508 ( 1.179 2.243 2.480) 3.546 8.558 ( -1.041 0.173 -2.588) 2.795 8.659 ( 1.466 -0.788 1.931) 2.549 8.711 ( -2.016 -0.144 -3.024) 3.637 9.019 ( 2.353 1.080 3.055) 4.004 9.054 ( -2.050 1.326 0.196) 2.450 9.301 ( 1.112 -0.650 0.895) 1.568 9.340 ( -1.318 -0.799 -2.588) 3.012 12.672 ( 0.463 8.232 0.808) 8.284 12.689 ( -0.222 8.963 -0.833) 9.004 14.316 ( -5.802 -5.275 6.089) 9.928 14.433 ( 8.082 -7.674 -5.573) 12.461 17.083 ( 2.773 -2.407 1.172) 3.855 17.103 ( -4.718 -0.988 0.272) 4.828 17.125 ( -2.549 0.257 1.809) 3.136 17.151 ( 2.801 -1.350 -0.862) 3.227 17.293 ( -0.239 1.514 3.913) 4.202 17.310 ( -3.370 0.486 1.475) 3.711 17.375 ( 3.805 2.189 -2.310) 4.961 17.486 ( -1.568 -0.600 -9.958) 10.098 17.757 ( 6.518 1.310 3.366) 7.452 17.802 ( -4.797 1.918 -0.881) 5.241 17.953 ( 4.914 -1.117 1.850) 5.368 17.966 ( -3.669 -0.166 1.250) 3.879 18.096 ( -1.779 -6.355 -0.817) 6.649 18.121 ( 0.523 -5.426 -2.849) 6.151 18.209 ( -1.708 -1.704 1.754) 2.983 18.232 ( 1.569 -2.230 -0.469) 2.767 18.873 ( 3.996 -0.475 1.102) 4.172 18.899 ( -4.396 -0.638 -0.750) 4.505 18.926 ( -4.795 1.226 0.204) 4.953 18.943 ( 5.459 1.790 -1.127) 5.855 19.629 ( -1.603 0.329 1.983) 2.571 19.655 ( 1.599 0.744 -0.643) 1.877 19.831 ( -0.923 -3.031 2.581) 4.087 19.881 ( 1.037 -1.586 -2.417) 3.071 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -22.070 -4.020 12.495) 25.678 1.235 ( -26.492 6.327 -0.944) 27.254 1.739 ( 4.162 0.557 -12.612) 13.293 1.797 ( -18.717 15.395 14.727) 28.359 1.952 ( 0.812 -5.123 -7.153) 8.835 2.119 ( 5.223 9.513 -9.996) 14.755 2.172 ( 2.843 3.397 6.623) 7.968 2.283 ( 1.327 4.631 3.979) 6.248 2.304 ( 3.024 2.228 -6.695) 7.677 2.356 ( 0.827 4.471 4.461) 6.369 2.435 ( -0.745 3.045 8.906) 9.442 2.553 ( 3.096 2.629 -0.351) 4.077 2.722 ( 7.037 -1.586 3.229) 7.903 2.847 ( 7.165 -5.967 -0.973) 9.375 2.889 ( 2.197 0.798 2.136) 3.166 2.966 ( 8.996 2.999 -2.058) 9.703 3.049 ( -6.256 3.417 -1.039) 7.204 3.181 ( -0.543 2.883 -4.401) 5.290 3.328 ( -2.043 0.976 -0.479) 2.314 3.369 ( -3.658 -7.160 -0.214) 8.043 3.589 ( -1.831 4.562 0.703) 4.965 3.654 ( -2.748 1.686 -0.689) 3.297 3.720 ( 1.866 4.179 1.030) 4.691 3.848 ( 6.750 5.542 -5.385) 10.260 3.896 ( -1.508 -4.311 -5.460) 7.119 4.039 ( 2.485 -4.901 -0.494) 5.517 4.093 ( -2.826 -6.002 -3.715) 7.603 4.168 ( -2.605 -2.678 1.758) 4.129 4.250 ( 2.856 1.270 4.096) 5.152 4.325 ( 2.309 0.182 -3.232) 3.976 4.455 ( -0.742 -3.153 0.472) 3.273 4.522 ( 2.206 0.182 0.759) 2.339 4.590 ( -3.535 0.110 -2.425) 4.288 4.642 ( -3.979 3.439 -1.403) 5.443 4.841 ( 5.843 -2.030 4.537) 7.671 4.872 ( 3.852 0.611 3.076) 4.967 4.981 ( -2.699 3.454 -0.721) 4.442 5.069 ( 2.467 4.355 2.015) 5.395 5.414 ( -1.631 -2.324 -1.278) 3.114 5.607 ( 2.782 -1.090 0.265) 3.000 5.688 ( -4.272 -2.187 -1.275) 4.966 5.766 ( 0.407 -2.149 -2.928) 3.655 5.908 ( 2.728 -3.230 6.256) 7.551 6.057 ( 6.650 -2.982 5.017) 8.848 6.124 ( -1.749 -1.822 1.198) 2.796 6.142 ( 1.964 -3.319 -2.035) 4.361 6.255 ( -5.691 -6.230 -2.790) 8.887 6.429 ( 1.916 0.032 -1.729) 2.581 6.491 ( -0.114 -7.519 2.127) 7.815 6.628 ( -1.398 0.159 -0.755) 1.597 6.700 ( 2.803 -2.045 3.043) 4.614 6.811 ( 0.442 4.366 -1.585) 4.666 6.849 ( -0.100 4.916 2.467) 5.501 6.895 ( 0.682 4.336 -0.433) 4.411 6.958 ( -2.590 -3.599 -0.997) 4.545 7.093 ( 2.158 -3.851 1.121) 4.554 7.235 ( -4.460 2.879 -1.904) 5.640 7.339 ( 0.453 3.037 1.787) 3.553 7.479 ( -2.078 -1.317 0.376) 2.489 7.546 ( 1.525 -1.267 -0.528) 2.051 7.632 ( -1.238 0.092 2.253) 2.572 7.707 ( 2.143 1.980 -2.505) 3.845 7.757 ( -2.903 1.847 4.977) 6.051 7.841 ( 0.954 2.977 -3.839) 4.951 7.990 ( -0.980 -3.254 0.266) 3.409 8.061 ( 2.535 -3.654 -1.302) 4.634 8.090 ( -2.135 0.300 0.489) 2.211 8.171 ( -0.860 -1.622 2.298) 2.941 8.211 ( 2.676 0.999 0.625) 2.924 8.249 ( 2.658 -0.443 -3.090) 4.100 8.335 ( -1.077 -2.203 1.077) 2.678 8.415 ( 1.793 -0.701 -1.726) 2.585 8.488 ( -1.633 0.265 -1.767) 2.421 8.599 ( 3.884 1.323 1.346) 4.319 8.637 ( -2.622 -0.376 -2.464) 3.618 8.712 ( 0.998 -0.831 3.406) 3.645 8.989 ( -3.208 2.080 -2.155) 4.389 9.076 ( 0.616 0.794 1.040) 1.446 9.289 ( -1.137 -0.736 -1.224) 1.826 9.342 ( 1.139 -0.764 1.989) 2.416 12.668 ( -0.360 7.736 -0.238) 7.748 12.715 ( 2.947 11.016 -0.594) 11.419 14.241 ( -6.497 -4.437 4.321) 8.976 14.493 ( 4.203 -9.322 -9.172) 13.736 17.004 ( -4.204 -0.973 -0.152) 4.318 17.063 ( -4.047 -2.101 0.931) 4.654 17.142 ( -0.536 1.939 4.027) 4.502 17.185 ( -0.500 2.651 2.169) 3.462 17.269 ( -0.638 -0.626 -0.886) 1.258 17.347 ( 1.826 1.626 -2.826) 3.737 17.407 ( 0.999 2.872 -5.619) 6.389 17.464 ( 4.977 -1.610 8.143) 9.679 17.682 ( -4.565 1.517 -3.872) 6.175 17.869 ( -0.916 -1.299 -2.188) 2.704 17.925 ( 3.849 1.620 0.406) 4.196 18.055 ( 1.720 -2.970 0.638) 3.491 18.057 ( -0.004 -6.041 2.014) 6.367 18.115 ( 0.135 -5.304 -0.076) 5.306 18.188 ( -1.933 -1.082 1.027) 2.441 18.252 ( 1.270 -2.402 -0.923) 2.869 18.808 ( -3.303 0.050 -0.895) 3.422 18.845 ( -4.018 0.655 0.191) 4.075 18.988 ( 5.474 -0.598 1.942) 5.839 19.018 ( 4.002 2.638 -1.351) 4.980 19.547 ( -3.564 0.384 0.555) 3.628 19.763 ( 4.697 -1.174 -0.902) 4.925 19.829 ( -1.377 -2.405 1.820) 3.316 19.901 ( 3.238 -2.710 -1.923) 4.639 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -12.790 9.873 10.851) 19.463 1.045 ( -14.055 0.669 20.746) 25.068 1.571 ( -1.738 -1.095 -18.146) 18.262 1.644 ( -16.477 20.165 23.702) 35.212 1.912 ( -1.517 10.448 -18.263) 21.095 2.013 ( 1.110 -1.993 -2.107) 3.106 2.181 ( 0.414 2.015 -2.977) 3.618 2.307 ( 0.619 0.168 -0.376) 0.744 2.344 ( -5.064 2.058 1.622) 5.702 2.448 ( 9.650 9.277 -3.730) 13.896 2.549 ( 2.748 1.812 5.900) 6.756 2.584 ( -4.084 4.474 5.957) 8.496 2.750 ( -4.012 6.410 -6.992) 10.299 2.852 ( 0.907 1.589 -3.654) 4.086 2.945 ( 0.349 -0.785 -1.063) 1.367 2.986 ( 0.738 2.645 7.915) 8.377 3.130 ( 1.382 1.262 -5.493) 5.803 3.193 ( 5.588 3.505 -2.791) 7.162 3.272 ( 0.178 -5.660 2.814) 6.323 3.322 ( -0.812 -5.256 1.557) 5.541 3.567 ( -0.578 5.478 -1.932) 5.837 3.650 ( -0.609 -4.609 6.130) 7.694 3.713 ( 2.666 0.102 -5.327) 5.958 3.853 ( 1.492 -0.044 -2.158) 2.624 3.941 ( 4.929 4.625 -0.741) 6.800 4.038 ( -1.838 -3.839 -0.532) 4.289 4.103 ( 3.093 -0.251 -0.495) 3.143 4.187 ( 3.120 -3.515 2.826) 5.484 4.278 ( -0.983 0.189 -3.808) 3.938 4.298 ( -1.537 0.219 1.205) 1.966 4.448 ( -0.373 -2.051 -2.896) 3.568 4.514 ( -1.472 0.094 -4.846) 5.066 4.558 ( 0.498 -0.257 -0.902) 1.062 4.600 ( 0.631 1.267 2.953) 3.275 4.846 ( -2.334 1.263 -3.325) 4.254 4.896 ( -3.901 2.010 1.967) 4.810 5.043 ( 5.322 -1.004 4.292) 6.911 5.164 ( 1.429 1.152 6.770) 7.014 5.382 ( -1.611 -1.421 -1.857) 2.840 5.584 ( -1.543 -3.000 -3.310) 4.726 5.676 ( 5.146 -4.933 -1.110) 7.215 5.819 ( 3.412 -2.216 -4.703) 6.219 5.938 ( -2.472 -4.679 4.634) 7.034 6.088 ( 0.424 -3.870 -0.301) 3.905 6.174 ( 1.229 -2.295 2.846) 3.857 6.217 ( 1.152 -0.157 1.588) 1.968 6.270 ( 4.343 -3.088 8.729) 10.227 6.388 ( 2.733 1.353 -4.163) 5.160 6.525 ( -2.396 -3.393 -2.762) 4.988 6.589 ( -0.891 0.171 3.626) 3.737 6.724 ( 0.462 -0.634 -2.789) 2.897 6.766 ( -5.276 -1.263 0.946) 5.507 6.863 ( 2.880 2.420 -1.372) 4.004 6.928 ( 1.624 -0.431 -0.471) 1.745 7.065 ( 6.335 -5.626 8.478) 11.986 7.139 ( 1.208 -1.298 3.473) 3.899 7.148 ( -1.051 -1.420 -2.552) 3.104 7.349 ( -1.032 3.963 0.686) 4.152 7.446 ( -0.771 -2.234 0.266) 2.378 7.571 ( 0.076 -2.054 0.966) 2.271 7.644 ( 0.345 0.029 2.043) 2.072 7.715 ( 0.724 1.141 -1.646) 2.130 7.756 ( -1.894 0.807 3.580) 4.130 7.816 ( 0.573 3.535 -3.102) 4.737 7.975 ( -0.463 -2.552 -0.117) 2.596 8.042 ( -2.089 0.218 -0.401) 2.139 8.095 ( 1.137 -4.098 -1.666) 4.568 8.170 ( -0.822 -2.263 0.672) 2.500 8.248 ( 1.907 1.451 -1.874) 3.042 8.265 ( 0.088 -1.184 -0.686) 1.372 8.350 ( 1.139 -0.487 1.397) 1.867 8.412 ( -0.858 1.547 0.241) 1.785 8.458 ( 1.623 -1.338 -3.264) 3.883 8.564 ( -3.259 0.094 -1.226) 3.483 8.692 ( 4.138 0.220 1.201) 4.315 8.755 ( -0.416 -1.311 3.380) 3.649 8.913 ( -1.791 2.958 -1.708) 3.856 9.040 ( -2.708 1.045 -3.134) 4.272 9.297 ( 1.241 -0.947 2.046) 2.573 9.374 ( 0.284 -1.350 1.188) 1.820 12.668 ( 0.302 8.126 0.510) 8.147 12.766 ( 3.914 13.644 -4.252) 14.817 14.181 ( -4.148 -3.717 4.644) 7.252 14.390 ( -3.476 -6.821 -9.190) 11.961 16.963 ( -0.718 1.316 1.821) 2.358 17.012 ( -1.939 -2.393 1.993) 3.668 17.161 ( -3.116 2.500 6.520) 7.646 17.185 ( -2.831 3.897 4.646) 6.692 17.235 ( -0.869 1.284 -4.811) 5.055 17.311 ( -0.247 2.583 -5.883) 6.430 17.354 ( 0.953 3.842 -6.625) 7.717 17.487 ( -8.126 2.259 -8.736) 12.143 17.710 ( 6.447 -2.640 9.938) 12.137 17.862 ( 3.040 -3.410 1.575) 4.832 17.984 ( 1.003 -1.958 -1.165) 2.490 18.084 ( 2.080 -3.400 1.200) 4.163 18.097 ( 0.290 -3.494 0.914) 3.623 18.131 ( 0.894 -3.319 1.568) 3.778 18.157 ( -1.968 -1.341 0.647) 2.468 18.258 ( 0.597 -2.303 -1.635) 2.887 18.754 ( -1.505 0.872 -0.391) 1.783 18.785 ( -2.150 0.997 -0.438) 2.410 19.100 ( 7.953 1.978 -1.183) 8.280 19.117 ( 2.768 -2.410 4.672) 5.941 19.512 ( -1.451 -0.917 1.280) 2.141 19.765 ( -1.075 -2.028 -4.714) 5.243 19.828 ( -1.339 -3.064 3.721) 5.002 19.953 ( 3.374 -2.874 -2.401) 5.040 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 3.087 14.340 7.813) 16.620 1.312 ( 13.709 14.995 20.349) 28.756 1.415 ( -3.032 5.722 -11.344) 13.062 1.734 ( -12.662 9.723 -21.792) 27.014 2.031 ( -3.272 11.064 11.056) 15.979 2.079 ( 1.667 1.682 1.531) 2.820 2.221 ( -7.930 6.131 4.605) 11.032 2.336 ( 5.689 5.511 -1.441) 8.051 2.457 ( -1.532 7.192 8.864) 11.517 2.648 ( 1.999 4.668 -2.300) 5.574 2.670 ( 0.405 7.130 1.143) 7.233 2.725 ( -3.097 7.316 -0.109) 7.946 2.779 ( -3.388 2.106 -3.039) 5.015 2.858 ( 3.666 1.008 -7.691) 8.580 3.016 ( 4.726 4.787 0.151) 6.729 3.019 ( -7.224 -0.980 -0.113) 7.291 3.131 ( -2.502 -2.634 3.704) 5.188 3.186 ( 3.979 3.469 2.614) 5.890 3.277 ( 3.698 -0.954 -1.357) 4.053 3.355 ( 5.548 -0.186 -10.645) 12.006 3.486 ( -10.240 -6.843 3.004) 12.678 3.532 ( 6.706 -3.805 -3.033) 8.286 3.835 ( 5.302 2.539 3.740) 6.967 3.910 ( -1.452 -1.946 0.449) 2.469 3.951 ( 0.687 2.301 -0.975) 2.592 4.007 ( -5.084 -2.670 -5.109) 7.687 4.072 ( 2.271 1.297 3.758) 4.578 4.174 ( -3.464 -0.275 -3.374) 4.843 4.283 ( 2.221 -1.022 2.756) 3.684 4.301 ( 2.184 -2.144 6.338) 7.038 4.361 ( -1.285 -1.622 -3.947) 4.457 4.437 ( -1.848 -1.150 -4.550) 5.044 4.539 ( -0.200 -1.664 1.165) 2.041 4.590 ( 1.488 -2.043 -2.083) 3.275 4.864 ( -3.330 1.009 1.965) 3.996 4.891 ( 1.476 0.060 -0.151) 1.485 5.102 ( -0.265 -2.861 2.180) 3.607 5.130 ( -0.184 -1.996 -0.357) 2.036 5.381 ( 1.464 -3.127 4.332) 5.539 5.470 ( -0.943 -3.945 -4.557) 6.100 5.649 ( -3.354 -0.333 3.771) 5.057 5.718 ( 3.788 -1.998 -3.445) 5.496 5.881 ( 1.812 -8.931 3.428) 9.737 5.945 ( -0.999 -7.348 -3.103) 8.039 6.135 ( -2.332 -4.012 8.851) 9.993 6.282 ( -1.170 -6.319 -2.297) 6.824 6.315 ( 3.646 2.977 -2.931) 5.545 6.371 ( -0.655 -1.431 0.437) 1.633 6.435 ( 3.467 -3.494 5.155) 7.127 6.587 ( -3.984 -3.602 -2.585) 5.961 6.680 ( 1.365 2.389 1.841) 3.311 6.757 ( 0.373 3.769 -3.212) 4.966 6.889 ( -0.493 -4.977 0.794) 5.064 6.936 ( -1.187 0.022 -1.384) 1.824 7.006 ( 2.051 -2.080 0.351) 2.942 7.059 ( 0.573 0.908 -5.224) 5.333 7.247 ( 2.156 1.090 4.635) 5.226 7.321 ( -3.345 0.540 -2.924) 4.475 7.466 ( 1.386 -1.404 3.195) 3.755 7.512 ( -0.600 -1.070 -0.493) 1.322 7.657 ( -1.329 -0.578 2.759) 3.117 7.724 ( 0.463 1.024 -2.820) 3.036 7.792 ( -0.845 2.172 2.075) 3.121 7.847 ( 0.776 1.165 -2.853) 3.178 7.943 ( 0.253 -1.720 2.303) 2.885 7.979 ( 0.418 -0.957 -1.370) 1.722 8.100 ( 1.697 -0.337 0.988) 1.992 8.118 ( -0.074 -0.870 -0.182) 0.892 8.240 ( -3.717 -1.477 0.841) 4.087 8.263 ( 1.935 0.245 -1.491) 2.455 8.382 ( 0.872 0.687 0.409) 1.183 8.401 ( -0.923 -0.065 -1.025) 1.381 8.481 ( 2.173 0.179 0.469) 2.230 8.499 ( -1.420 -0.043 -1.021) 1.749 8.719 ( -2.468 -1.341 2.662) 3.869 8.755 ( 2.712 -0.867 -0.974) 3.009 8.973 ( 0.654 3.551 -0.010) 3.611 8.997 ( -1.947 2.787 -2.390) 4.156 9.314 ( 1.241 -2.025 1.720) 2.932 9.335 ( -0.737 -1.975 -0.482) 2.162 12.921 ( 0.343 12.545 3.327) 12.984 13.011 ( -0.097 11.851 -6.232) 13.390 14.077 ( -0.756 -6.463 3.944) 7.609 14.158 ( 0.897 -8.148 -4.219) 9.219 17.037 ( 1.040 1.130 3.285) 3.626 17.078 ( 1.623 2.953 1.836) 3.837 17.117 ( 2.383 0.115 -1.068) 2.614 17.169 ( -7.756 0.722 -2.775) 8.269 17.266 ( -2.368 3.814 5.756) 7.300 17.305 ( -5.331 4.961 4.284) 8.449 17.422 ( 4.601 3.236 -5.668) 7.985 17.434 ( 1.940 4.061 -9.048) 10.106 17.824 ( 1.359 -3.474 5.997) 7.062 17.852 ( -2.865 -4.877 3.197) 6.497 17.893 ( 5.052 -4.192 -0.570) 6.589 17.946 ( -1.703 -5.819 -2.376) 6.512 18.094 ( -1.770 -1.396 -0.202) 2.263 18.103 ( 1.803 -2.298 -1.406) 3.242 18.142 ( 0.631 -0.083 2.471) 2.552 18.200 ( 0.196 -1.298 -2.845) 3.133 18.778 ( 1.003 1.662 0.041) 1.941 18.783 ( -0.563 1.423 -0.454) 1.596 19.072 ( -3.240 -4.552 3.995) 6.869 19.156 ( 4.004 -5.169 -4.458) 7.913 19.540 ( 2.857 0.575 3.373) 4.458 19.608 ( -3.636 -2.862 -3.583) 5.852 19.792 ( -1.191 -3.863 4.799) 6.275 19.869 ( 1.198 -4.934 -3.209) 6.006 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -1.627 9.868 -12.681) 16.151 1.413 ( 4.373 8.501 -6.201) 11.395 1.423 ( 5.858 9.422 -0.818) 11.124 1.794 ( 10.291 15.164 19.884) 27.042 1.922 ( -9.498 -2.107 -2.005) 9.934 2.160 ( 0.303 8.364 8.452) 11.894 2.187 ( -1.241 1.160 3.082) 3.519 2.382 ( 0.471 9.687 -0.902) 9.741 2.481 ( -2.196 9.425 3.867) 10.422 2.573 ( -2.495 7.240 -4.599) 8.932 2.667 ( -2.326 -1.553 -4.814) 5.568 2.758 ( 2.441 1.993 0.961) 3.295 2.777 ( 2.310 10.686 12.261) 16.428 2.874 ( -0.241 -2.523 -0.842) 2.671 2.918 ( 0.014 4.820 -5.735) 7.491 3.025 ( -5.490 -3.059 3.996) 7.448 3.152 ( -1.181 0.664 -3.422) 3.681 3.216 ( 2.940 -1.756 -1.799) 3.868 3.270 ( -1.568 -0.436 -1.665) 2.329 3.294 ( 4.287 1.998 -5.788) 7.475 3.443 ( 1.622 -5.249 -0.890) 5.565 3.660 ( 3.377 0.515 2.146) 4.034 3.738 ( -7.369 -0.293 -6.303) 9.702 3.914 ( -0.349 -0.608 -0.786) 1.053 3.939 ( 0.411 2.759 1.499) 3.166 4.021 ( -2.992 0.253 -0.453) 3.037 4.043 ( 1.477 -0.558 3.742) 4.061 4.172 ( -0.699 -3.339 2.954) 4.513 4.265 ( -1.151 1.653 -6.433) 6.741 4.342 ( -0.486 -2.895 1.861) 3.476 4.362 ( -0.032 -1.407 -3.911) 4.156 4.418 ( 2.677 -0.398 6.597) 7.131 4.502 ( -1.889 -2.375 -0.235) 3.044 4.644 ( 3.715 0.021 -0.960) 3.837 4.826 ( -2.185 0.394 2.604) 3.422 4.921 ( -0.186 -1.753 0.217) 1.776 5.058 ( -1.074 0.000 1.224) 1.628 5.216 ( 4.633 -2.999 -0.544) 5.545 5.392 ( -1.459 -2.967 -3.959) 5.158 5.458 ( 1.817 -3.966 3.666) 5.698 5.564 ( -6.381 0.085 0.342) 6.391 5.753 ( 1.257 0.405 -1.365) 1.899 5.889 ( 0.563 -7.808 -2.311) 8.162 5.938 ( 0.088 -6.941 0.795) 6.987 6.143 ( -7.084 -9.502 6.865) 13.697 6.196 ( -2.667 2.127 2.456) 4.203 6.236 ( -3.483 -1.442 -6.177) 7.236 6.398 ( -1.752 -3.507 -5.531) 6.779 6.453 ( 1.129 0.308 -1.323) 1.767 6.641 ( 5.170 -3.552 5.552) 8.377 6.706 ( -0.019 -0.391 -5.842) 5.855 6.739 ( 1.526 3.096 2.798) 4.443 6.893 ( -0.609 -5.451 0.930) 5.563 6.933 ( 0.985 -2.548 1.568) 3.150 6.973 ( -2.983 2.910 -3.968) 5.754 7.075 ( 3.610 0.946 0.350) 3.748 7.246 ( -0.306 1.653 -2.717) 3.195 7.348 ( 2.659 -0.218 4.533) 5.260 7.488 ( 0.236 0.791 -3.559) 3.653 7.511 ( 0.021 -3.563 1.363) 3.815 7.666 ( -1.493 0.356 4.452) 4.710 7.707 ( 0.656 1.537 -2.677) 3.156 7.788 ( -1.646 1.221 2.320) 3.096 7.845 ( 1.788 1.600 -1.917) 3.071 7.956 ( 0.612 -1.981 -0.848) 2.240 8.010 ( 2.180 -0.807 -0.685) 2.424 8.072 ( -2.415 -0.108 -1.706) 2.958 8.132 ( 1.410 -1.230 -0.184) 1.880 8.204 ( -1.063 -2.398 2.057) 3.333 8.266 ( -0.876 2.111 0.225) 2.297 8.385 ( -3.225 -0.153 1.433) 3.533 8.398 ( 1.122 1.907 -1.177) 2.507 8.456 ( 1.253 -0.153 -1.554) 2.003 8.551 ( 3.026 -0.965 0.020) 3.176 8.683 ( -3.220 -0.561 1.340) 3.532 8.776 ( 0.969 -1.727 -1.968) 2.792 8.962 ( -0.242 3.626 0.194) 3.640 9.011 ( 1.694 2.344 2.530) 3.843 9.305 ( -1.076 -1.784 -1.334) 2.474 9.347 ( 0.751 -2.185 0.302) 2.330 12.913 ( -2.611 12.076 -0.694) 12.374 12.972 ( -0.270 13.175 0.387) 13.184 14.102 ( 0.163 -8.361 1.683) 8.531 14.173 ( 3.526 -7.400 -1.842) 8.401 17.003 ( -2.545 -1.049 -0.687) 2.837 17.011 ( -3.133 0.832 -1.496) 3.570 17.183 ( 4.991 0.710 2.150) 5.481 17.219 ( -0.037 2.244 6.210) 6.604 17.248 ( -5.459 2.736 6.122) 8.646 17.374 ( 6.863 3.519 6.571) 10.132 17.389 ( 1.760 2.652 -6.840) 7.544 17.450 ( 3.235 4.594 -4.774) 7.373 17.763 ( -4.395 -5.373 -1.091) 7.027 17.772 ( -7.914 -7.215 -2.087) 10.911 17.949 ( 3.418 -2.318 -2.177) 4.668 17.971 ( 0.165 -1.658 1.584) 2.299 18.067 ( -0.559 -3.069 -0.035) 3.119 18.117 ( 0.105 -2.101 -1.181) 2.413 18.167 ( -0.062 -1.082 2.362) 2.598 18.172 ( 0.367 -0.093 -2.941) 2.965 18.776 ( 0.730 1.068 -0.643) 1.444 18.813 ( 2.395 1.427 -0.134) 2.791 19.022 ( -5.148 -3.329 3.259) 6.943 19.137 ( -1.250 -4.374 -4.349) 6.293 19.505 ( -1.771 -2.745 -1.075) 3.439 19.676 ( 4.874 0.700 2.420) 5.486 19.768 ( -3.448 -5.117 2.099) 6.517 19.883 ( 1.649 -2.940 -2.145) 3.995 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 14.347 2.950 -6.297) 15.943 1.462 ( 12.731 4.959 -6.879) 15.297 1.577 ( -6.365 6.961 5.034) 10.691 1.784 ( 3.546 2.297 3.756) 5.653 2.080 ( 0.388 13.180 17.403) 21.834 2.168 ( -3.576 2.323 4.634) 6.297 2.222 ( 1.549 -1.145 1.003) 2.172 2.345 ( -10.802 10.521 8.237) 17.182 2.460 ( 2.214 10.315 -8.233) 13.382 2.514 ( -0.560 1.410 -5.102) 5.323 2.522 ( -9.136 -5.556 3.571) 11.273 2.736 ( -4.080 -0.853 -2.478) 4.849 2.795 ( 1.386 9.285 -10.716) 14.246 2.862 ( -2.012 -3.807 -1.065) 4.435 2.939 ( -4.308 1.811 -1.327) 4.857 2.996 ( -1.152 4.862 -0.419) 5.015 3.114 ( 3.370 4.556 0.121) 5.668 3.211 ( 0.905 -5.140 -5.079) 7.282 3.287 ( 7.115 1.429 -0.471) 7.272 3.340 ( 1.469 1.518 1.071) 2.368 3.457 ( -0.818 -1.421 3.921) 4.250 3.650 ( 0.733 2.213 3.351) 4.082 3.734 ( 3.809 1.125 2.132) 4.508 3.887 ( -3.088 -1.702 1.092) 3.691 3.924 ( 2.204 -0.906 0.402) 2.417 4.000 ( -3.902 -2.396 -5.996) 7.544 4.042 ( 0.275 7.338 -2.458) 7.743 4.162 ( 0.860 0.287 0.320) 0.961 4.235 ( -1.600 0.401 3.860) 4.198 4.303 ( -0.285 -2.921 -3.327) 4.437 4.367 ( -0.290 -2.924 2.826) 4.076 4.477 ( -0.573 -1.880 0.032) 1.966 4.540 ( 1.897 -1.234 5.324) 5.785 4.700 ( 3.767 1.482 -0.959) 4.160 4.825 ( -1.736 -1.489 1.837) 2.933 4.881 ( -2.798 -2.211 -1.169) 3.753 5.086 ( 1.209 3.540 1.736) 4.124 5.216 ( -1.343 2.960 -4.990) 5.955 5.352 ( -0.375 -2.296 -0.446) 2.368 5.510 ( 1.738 -3.823 2.955) 5.135 5.529 ( 1.326 -4.347 1.985) 4.959 5.741 ( -1.495 2.078 0.727) 2.661 5.913 ( -2.001 -6.469 -2.254) 7.137 5.916 ( 2.011 -8.283 -0.435) 8.535 6.025 ( -6.782 -7.779 0.520) 10.334 6.125 ( -0.990 -5.025 -3.917) 6.448 6.240 ( -1.641 0.514 -4.216) 4.553 6.264 ( -0.901 -1.427 6.404) 6.622 6.456 ( -1.485 -3.190 -5.153) 6.240 6.641 ( -2.227 -0.346 -2.075) 3.064 6.740 ( 4.004 1.420 0.213) 4.253 6.820 ( 2.369 -1.203 2.761) 3.832 6.894 ( -1.015 0.445 -1.644) 1.982 6.912 ( 0.533 1.510 1.995) 2.558 6.958 ( -0.094 -1.667 1.402) 2.180 7.125 ( 1.070 2.390 -2.670) 3.740 7.262 ( 3.435 2.977 0.002) 4.545 7.418 ( 1.185 -3.810 0.423) 4.012 7.467 ( 0.198 2.956 -1.021) 3.133 7.494 ( -1.130 -2.035 -0.100) 2.330 7.674 ( -2.641 1.579 4.371) 5.346 7.700 ( 1.302 1.148 -2.023) 2.665 7.786 ( -0.978 0.443 2.586) 2.800 7.875 ( 2.577 2.292 -1.492) 3.757 7.945 ( -1.029 -3.654 -1.279) 4.005 7.982 ( -0.522 -1.426 -0.903) 1.767 8.101 ( 3.229 1.058 0.221) 3.405 8.159 ( 2.500 -2.606 -1.685) 3.985 8.198 ( -1.684 -1.032 0.566) 2.055 8.247 ( -1.659 2.314 0.823) 2.964 8.320 ( -3.405 -0.029 1.448) 3.700 8.396 ( 0.092 0.957 -2.286) 2.480 8.488 ( 2.237 0.106 0.513) 2.298 8.590 ( 0.329 -0.830 0.329) 0.952 8.634 ( -1.733 0.097 -0.264) 1.756 8.752 ( -0.740 -1.900 -2.944) 3.581 8.990 ( 1.432 3.013 2.482) 4.158 9.072 ( 1.050 1.554 3.080) 3.606 9.275 ( -0.227 -1.357 -1.343) 1.922 9.347 ( -0.322 -1.960 -1.066) 2.254 12.875 ( -0.647 11.908 0.240) 11.928 12.956 ( -1.704 13.425 -0.010) 13.532 14.132 ( 1.728 -10.014 1.276) 10.242 14.220 ( 1.662 -8.029 -0.309) 8.205 16.970 ( 0.865 -1.507 0.131) 1.742 17.015 ( 2.369 -1.972 0.727) 3.166 17.199 ( -4.445 2.242 3.334) 5.992 17.206 ( -4.911 0.955 5.834) 7.686 17.323 ( 2.888 0.059 0.353) 2.911 17.349 ( -0.080 1.391 -2.942) 3.255 17.408 ( -2.259 1.721 -2.602) 3.852 17.560 ( -4.814 -6.724 -8.436) 11.813 17.611 ( 7.260 1.542 6.061) 9.582 17.744 ( 1.910 -2.689 2.737) 4.286 17.953 ( -1.790 0.142 1.124) 2.118 17.974 ( -0.216 -2.124 -0.146) 2.140 18.049 ( -0.673 -2.547 -2.385) 3.554 18.077 ( -0.127 -2.551 -5.561) 6.119 18.166 ( 0.171 -1.233 0.554) 1.363 18.191 ( 0.084 0.265 1.382) 1.409 18.798 ( 2.097 -0.316 -0.210) 2.131 18.868 ( 3.525 0.545 -0.281) 3.578 18.961 ( -3.981 -1.755 2.068) 4.817 19.040 ( -4.224 -1.467 -2.978) 5.372 19.516 ( 2.298 -2.524 1.646) 3.790 19.730 ( -1.203 -4.637 2.883) 5.591 19.756 ( -0.769 1.073 0.593) 1.447 19.865 ( 0.240 -2.295 -3.717) 4.375 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -14.142 1.353 4.296) 14.842 1.501 ( 14.697 -6.090 -8.440) 18.009 1.789 ( 17.389 6.201 6.131) 19.453 1.892 ( -14.093 5.320 -2.605) 15.288 2.081 ( 3.664 10.691 8.073) 13.889 2.210 ( -0.630 1.200 3.687) 3.928 2.247 ( -4.722 1.756 3.547) 6.161 2.261 ( -3.544 0.090 6.613) 7.504 2.370 ( -0.394 -2.187 0.147) 2.227 2.427 ( 0.033 1.886 -4.094) 4.508 2.520 ( -4.790 8.752 3.232) 10.488 2.595 ( -1.783 6.197 1.294) 6.577 2.701 ( -3.010 6.405 -3.239) 7.783 2.821 ( 1.061 0.350 -3.945) 4.100 2.842 ( -0.521 6.350 -6.760) 9.289 2.915 ( 4.756 1.140 -7.320) 8.804 3.129 ( -3.784 -2.357 0.647) 4.505 3.191 ( 3.137 -2.824 -4.469) 6.147 3.366 ( -1.304 2.186 2.535) 3.593 3.408 ( 2.804 2.762 -0.905) 4.039 3.614 ( 5.943 -0.895 8.622) 10.510 3.731 ( 3.203 0.435 3.415) 4.702 3.797 ( -8.130 -0.726 -2.613) 8.570 3.842 ( 2.533 0.791 -0.249) 2.665 3.844 ( -0.306 -3.464 -1.053) 3.633 3.948 ( 1.222 7.604 -6.808) 10.280 4.088 ( 4.820 -0.408 2.761) 5.570 4.151 ( -3.600 -1.655 -2.770) 4.835 4.252 ( -2.090 2.855 5.167) 6.262 4.309 ( 4.291 1.474 -1.716) 4.851 4.386 ( -1.408 -3.658 4.112) 5.681 4.465 ( 1.168 -1.794 -2.955) 3.649 4.608 ( -0.178 -1.311 5.885) 6.032 4.713 ( -2.322 -1.005 -4.485) 5.150 4.794 ( 1.134 -0.788 0.613) 1.511 4.813 ( -2.113 -1.146 -1.168) 2.672 5.130 ( 1.475 5.594 1.326) 5.935 5.146 ( -2.227 5.883 -1.394) 6.443 5.413 ( 4.681 -2.080 4.516) 6.829 5.481 ( -4.918 -3.671 -2.232) 6.530 5.626 ( 3.394 -5.269 5.429) 8.292 5.745 ( -2.080 -6.253 -4.285) 7.861 5.829 ( 0.099 -3.670 1.723) 4.056 5.866 ( -3.450 -3.785 -1.918) 5.469 6.018 ( 2.821 -4.042 2.620) 5.582 6.102 ( -2.587 -6.350 -7.542) 10.193 6.148 ( 1.851 -7.608 4.261) 8.915 6.306 ( -3.524 -6.884 -11.040) 13.479 6.438 ( 4.461 3.737 11.687) 13.056 6.586 ( -1.582 1.462 -2.041) 2.968 6.787 ( -2.135 -0.183 -0.601) 2.225 6.843 ( 1.294 3.777 -2.430) 4.674 6.893 ( 2.550 -2.683 0.134) 3.704 6.928 ( 0.314 -1.839 -0.680) 1.986 6.995 ( 0.817 4.546 4.082) 6.164 7.077 ( -1.607 4.309 -4.024) 6.111 7.328 ( 0.871 0.671 2.436) 2.673 7.401 ( -0.957 1.387 -4.635) 4.932 7.461 ( -0.386 -2.151 2.871) 3.608 7.496 ( 0.524 -0.575 -0.716) 1.057 7.658 ( -3.057 1.533 3.847) 5.148 7.721 ( 2.922 1.219 -2.223) 3.868 7.803 ( -0.738 0.878 3.627) 3.804 7.879 ( 0.741 0.391 -3.782) 3.874 7.938 ( 0.117 -2.269 1.520) 2.734 7.971 ( 0.012 -1.425 -1.395) 1.995 8.140 ( -0.722 -1.762 0.499) 1.969 8.165 ( -0.442 -1.931 -1.508) 2.490 8.188 ( -0.197 2.921 1.762) 3.417 8.225 ( 1.435 1.310 -1.807) 2.654 8.304 ( -1.186 -1.035 3.091) 3.469 8.370 ( 1.186 -0.828 -3.756) 4.025 8.544 ( 0.765 1.081 1.786) 2.223 8.561 ( -0.682 0.175 -0.459) 0.840 8.640 ( 0.771 -0.996 1.540) 1.990 8.696 ( -1.385 -1.368 -3.563) 4.060 9.050 ( 1.499 1.844 3.099) 3.905 9.088 ( -1.015 1.829 -0.144) 2.097 9.281 ( 0.942 -1.226 0.935) 1.806 9.316 ( -1.108 -1.521 -2.106) 2.824 12.890 ( 0.457 12.261 1.518) 12.363 12.921 ( -0.085 12.947 -1.680) 13.055 14.166 ( -2.693 -9.162 3.690) 10.237 14.237 ( 3.576 -10.695 -3.388) 11.774 17.039 ( 3.965 -1.378 3.534) 5.487 17.083 ( -2.031 -1.085 2.159) 3.157 17.123 ( -0.118 -0.088 -1.663) 1.669 17.147 ( -2.217 0.588 -1.374) 2.674 17.282 ( -4.414 -2.270 5.657) 7.526 17.308 ( -5.576 -1.305 4.245) 7.129 17.405 ( 3.815 0.247 -5.186) 6.443 17.457 ( 3.377 -2.380 -9.218) 10.101 17.792 ( 4.579 1.536 6.317) 7.952 17.828 ( -0.707 -0.049 4.329) 4.386 17.932 ( -0.656 0.332 -0.958) 1.207 17.954 ( -1.040 -0.996 1.799) 2.304 17.989 ( -1.632 -2.761 -5.199) 6.109 18.027 ( 1.650 -3.374 -5.628) 6.766 18.183 ( -0.046 -0.598 1.229) 1.368 18.193 ( 0.046 -1.025 0.158) 1.038 18.852 ( 2.913 -1.535 1.136) 3.483 18.871 ( -3.747 -2.089 -0.295) 4.300 18.946 ( -3.614 0.590 -0.085) 3.663 18.966 ( 4.880 0.344 -1.600) 5.147 19.611 ( 3.883 -1.957 3.695) 5.706 19.679 ( -4.279 1.149 -3.051) 5.379 19.750 ( -0.921 -4.616 4.718) 6.664 19.840 ( 1.046 -2.160 -4.340) 4.959 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -13.048 4.497 4.851) 14.629 1.424 ( -20.871 11.523 -2.969) 24.025 1.690 ( 10.440 -3.669 -6.123) 12.646 1.899 ( -6.116 1.837 -5.836) 8.651 2.114 ( -6.679 2.552 6.564) 9.706 2.233 ( -3.082 7.758 5.645) 10.077 2.304 ( 2.699 6.378 2.456) 7.348 2.317 ( -0.814 2.076 -2.035) 3.019 2.393 ( 3.120 5.256 2.954) 6.788 2.444 ( 7.334 4.303 4.366) 9.558 2.550 ( 2.248 4.977 0.921) 5.539 2.646 ( 5.083 5.853 1.665) 7.929 2.710 ( 3.892 2.673 5.125) 6.969 2.800 ( 3.490 2.915 -4.131) 6.144 2.924 ( 8.324 0.009 1.274) 8.420 2.981 ( 5.904 0.936 -2.679) 6.551 3.068 ( -3.730 -2.573 3.700) 5.850 3.196 ( 0.155 -3.390 -3.489) 4.867 3.314 ( -5.730 3.916 -1.333) 7.067 3.397 ( -1.005 5.572 -3.298) 6.552 3.596 ( -4.483 -0.926 -5.353) 7.043 3.650 ( -4.250 -5.457 -0.166) 6.919 3.818 ( 2.260 1.715 -3.667) 4.636 3.887 ( 3.564 3.569 3.395) 6.081 3.904 ( 1.256 -0.498 1.028) 1.698 3.974 ( 4.888 0.378 -1.687) 5.185 4.005 ( -3.069 1.649 -3.655) 5.049 4.139 ( -1.973 0.726 0.044) 2.103 4.241 ( 0.078 -2.396 2.727) 3.631 4.355 ( 0.222 1.165 -3.700) 3.885 4.385 ( -0.417 -2.662 1.857) 3.272 4.503 ( 3.931 -1.593 -2.699) 5.027 4.581 ( -3.364 -1.103 0.500) 3.576 4.676 ( -4.515 -0.424 1.875) 4.907 4.808 ( 4.429 -1.470 2.249) 5.180 4.860 ( 2.307 -1.923 1.224) 3.243 5.090 ( -2.751 6.058 -0.051) 6.654 5.161 ( 0.471 4.369 1.148) 4.542 5.359 ( -3.737 -3.068 -0.917) 4.921 5.559 ( 2.545 -3.942 -0.765) 4.754 5.587 ( -4.913 -6.802 -3.692) 9.167 5.716 ( 2.863 -2.950 5.799) 7.108 5.838 ( 0.285 -2.133 1.545) 2.650 5.923 ( 2.374 -9.733 0.983) 10.066 6.008 ( 0.496 -6.475 -1.521) 6.670 6.120 ( -1.167 -6.538 -3.188) 7.367 6.133 ( 0.584 -0.853 3.314) 3.472 6.269 ( 2.975 -9.207 6.188) 11.485 6.522 ( 1.988 4.478 -9.314) 10.524 6.627 ( 4.938 0.911 2.743) 5.722 6.704 ( -5.014 1.719 3.111) 6.146 6.851 ( 0.833 -1.309 -2.395) 2.854 6.904 ( 0.137 4.219 -1.293) 4.415 6.942 ( 0.891 -1.634 -1.214) 2.222 6.994 ( -2.721 4.555 -2.579) 5.900 7.054 ( 0.671 1.712 3.805) 4.226 7.305 ( -4.005 3.215 -3.680) 6.318 7.356 ( -0.250 -1.773 3.710) 4.120 7.474 ( -1.217 1.267 1.044) 2.043 7.504 ( 1.384 -2.095 -1.231) 2.796 7.642 ( -2.169 0.869 3.424) 4.146 7.750 ( 2.543 2.031 -3.297) 4.633 7.804 ( -2.608 1.841 2.476) 4.040 7.867 ( 1.239 -1.854 -2.047) 3.027 7.944 ( -0.765 -0.202 0.237) 0.826 7.972 ( 1.806 -4.148 -0.803) 4.595 8.104 ( -3.937 0.327 0.116) 3.953 8.121 ( -1.496 -2.372 1.300) 3.091 8.213 ( 1.828 -0.684 -0.595) 2.041 8.260 ( 2.105 1.613 -0.602) 2.719 8.325 ( 0.833 1.199 1.962) 2.446 8.381 ( 2.689 -1.957 -2.162) 3.967 8.499 ( -2.779 0.420 -0.342) 2.831 8.620 ( 1.306 0.383 1.063) 1.727 8.626 ( 0.072 -0.567 -2.505) 2.570 8.687 ( 0.666 -1.348 2.838) 3.211 9.041 ( -1.894 2.759 -2.186) 3.997 9.098 ( 0.475 1.284 0.853) 1.613 9.268 ( -1.260 -1.302 -0.850) 2.001 9.320 ( 0.984 -1.350 1.435) 2.202 12.879 ( -0.737 12.252 -0.087) 12.274 12.967 ( 4.501 12.620 -0.966) 13.433 14.113 ( -4.422 -7.798 2.115) 9.211 14.267 ( 1.772 -12.002 -3.783) 12.708 16.990 ( -2.423 0.044 -1.680) 2.949 17.040 ( -2.959 -0.154 -1.513) 3.327 17.179 ( 1.030 1.286 4.473) 4.767 17.229 ( 5.290 1.482 1.586) 5.718 17.257 ( -5.103 -0.799 5.747) 7.727 17.343 ( 4.676 -2.733 6.756) 8.659 17.418 ( 2.884 -1.327 -2.650) 4.135 17.454 ( 3.577 0.012 -6.041) 7.020 17.730 ( -5.911 3.034 -4.351) 7.942 17.848 ( -2.657 -0.663 -7.209) 7.712 17.909 ( -3.454 -5.002 5.404) 8.134 17.957 ( 2.833 -0.246 4.240) 5.105 18.007 ( 2.293 -2.676 -0.778) 3.609 18.030 ( 3.221 -1.653 -1.979) 4.126 18.170 ( -1.099 -0.918 0.151) 1.440 18.213 ( 1.044 -0.729 -0.338) 1.317 18.803 ( -2.418 -0.649 -0.613) 2.578 18.860 ( -3.246 0.671 0.484) 3.350 18.957 ( 3.913 -2.000 2.156) 4.895 19.040 ( 4.622 -0.749 -2.788) 5.449 19.554 ( -3.980 0.388 -2.047) 4.492 19.726 ( 2.094 -2.382 2.234) 3.879 19.766 ( -1.958 -3.711 3.047) 5.186 19.830 ( 2.557 -3.857 -2.646) 5.330 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -2.577 16.331 8.889) 18.771 1.184 ( -7.055 12.050 7.706) 15.949 1.617 ( -5.599 5.585 -11.237) 13.741 1.898 ( 7.010 -2.380 1.272) 7.512 2.081 ( -8.743 15.714 10.954) 21.056 2.150 ( -6.304 4.868 -10.181) 12.926 2.252 ( 1.389 6.954 -2.203) 7.426 2.296 ( -2.214 2.078 1.546) 3.407 2.415 ( -3.201 4.086 6.382) 8.227 2.583 ( 0.944 1.600 4.906) 5.246 2.666 ( 8.589 10.550 -7.850) 15.706 2.736 ( -0.104 9.188 3.415) 9.803 2.830 ( 2.644 1.816 -0.263) 3.218 2.880 ( 3.987 -2.386 0.485) 4.672 2.980 ( -0.566 6.062 -0.490) 6.108 3.065 ( 1.017 -0.510 4.118) 4.273 3.100 ( -1.596 -2.458 -5.515) 6.245 3.140 ( 5.144 -3.638 -1.059) 6.389 3.222 ( -2.494 -0.023 3.678) 4.444 3.323 ( 1.492 4.308 -6.059) 7.582 3.542 ( 0.856 -6.806 -9.586) 11.787 3.579 ( -2.256 -1.299 6.726) 7.212 3.767 ( -0.621 4.731 -4.624) 6.645 3.900 ( -0.943 2.762 0.170) 2.923 3.937 ( 1.464 -0.129 0.609) 1.591 4.003 ( 2.888 -2.655 2.968) 4.920 4.108 ( 3.777 1.157 -3.622) 5.360 4.135 ( 2.257 -0.529 2.803) 3.638 4.264 ( -1.324 -4.328 4.119) 6.120 4.285 ( -1.871 0.839 -5.016) 5.419 4.395 ( 0.550 -2.558 -1.141) 2.854 4.492 ( -0.801 -1.842 -1.074) 2.278 4.549 ( -0.707 -1.350 -4.126) 4.399 4.611 ( -2.817 -0.463 2.085) 3.535 4.869 ( 0.800 0.252 -1.370) 1.606 4.897 ( -0.200 -2.005 2.243) 3.015 5.064 ( -0.228 2.895 0.587) 2.963 5.174 ( -1.873 -0.096 2.879) 3.436 5.331 ( -0.466 -3.493 2.212) 4.160 5.512 ( -0.318 -4.453 -0.506) 4.493 5.572 ( 3.265 -5.376 -0.816) 6.342 5.765 ( -2.066 -1.358 -3.195) 4.039 5.848 ( -0.175 -5.134 1.290) 5.297 5.959 ( 1.634 -6.765 -0.422) 6.973 6.067 ( 0.267 -6.117 7.339) 9.557 6.139 ( 5.886 -8.038 7.562) 12.508 6.238 ( 2.900 -1.885 3.860) 5.183 6.355 ( 1.909 -5.064 -2.657) 6.029 6.476 ( 1.467 2.855 -4.114) 5.218 6.638 ( -3.354 1.607 -1.061) 3.867 6.688 ( 0.105 -1.001 -0.052) 1.008 6.806 ( -2.151 4.254 -3.265) 5.778 6.898 ( -0.147 -2.095 -1.296) 2.467 6.944 ( 1.364 5.024 0.358) 5.218 6.971 ( 0.812 -1.903 0.167) 2.075 7.081 ( -0.030 -1.805 0.303) 1.830 7.213 ( -1.934 3.440 -0.753) 4.017 7.397 ( -0.334 -2.240 1.763) 2.870 7.428 ( -2.150 3.719 0.018) 4.296 7.518 ( -0.022 -2.889 0.791) 2.995 7.649 ( -0.700 0.279 2.877) 2.974 7.746 ( 0.627 1.537 -3.251) 3.650 7.784 ( -1.298 1.502 2.315) 3.050 7.862 ( 0.858 -0.367 -2.950) 3.095 7.931 ( -0.980 -0.465 1.235) 1.644 7.998 ( -0.170 -3.820 -0.030) 3.823 8.059 ( 0.470 -0.472 -0.003) 0.666 8.114 ( -0.642 -2.078 1.370) 2.570 8.238 ( 1.980 -1.146 -1.447) 2.707 8.276 ( -0.094 1.258 -0.360) 1.312 8.366 ( 0.620 1.951 1.658) 2.635 8.416 ( 3.365 -1.389 -1.569) 3.964 8.445 ( -2.453 0.193 -0.248) 2.473 8.560 ( -2.777 -0.426 -1.137) 3.031 8.696 ( 3.655 0.174 0.004) 3.659 8.720 ( -0.805 -1.804 3.414) 3.945 8.987 ( -0.973 3.903 -2.130) 4.552 9.068 ( -2.032 1.595 -2.858) 3.852 9.271 ( 0.855 -1.514 1.877) 2.559 9.342 ( 0.009 -1.771 0.769) 1.931 12.883 ( 0.582 12.177 1.353) 12.266 13.031 ( 4.098 11.839 -4.455) 13.297 14.070 ( -2.385 -6.990 2.836) 7.912 14.217 ( -1.912 -9.706 -4.206) 10.750 16.981 ( 1.668 0.699 0.714) 1.945 17.004 ( 1.242 1.705 -0.903) 2.294 17.181 ( -4.789 -0.204 3.284) 5.811 17.229 ( -3.603 0.918 6.846) 7.790 17.326 ( 2.304 5.297 0.292) 5.783 17.361 ( -0.757 1.836 -5.925) 6.249 17.421 ( -0.845 2.367 -3.908) 4.647 17.548 ( -4.715 3.230 -9.572) 11.148 17.632 ( 8.800 -4.441 9.190) 13.476 17.786 ( 4.035 -3.206 -2.943) 5.935 17.892 ( -3.524 -4.936 4.201) 7.377 17.992 ( -1.676 -6.035 1.389) 6.415 18.062 ( 3.208 -1.772 -0.192) 3.670 18.086 ( 2.814 0.451 0.531) 2.899 18.145 ( -1.796 -0.199 -0.224) 1.821 18.216 ( 0.564 -1.285 -1.862) 2.332 18.771 ( -0.478 0.682 -0.220) 0.861 18.811 ( -2.017 1.488 0.078) 2.508 19.050 ( 1.668 -3.885 3.732) 5.639 19.096 ( 5.178 -2.229 -3.583) 6.680 19.496 ( -0.701 -0.301 -0.016) 0.762 19.714 ( -3.262 -2.908 -1.269) 4.550 19.759 ( -0.913 -3.462 3.058) 4.709 19.870 ( 1.991 -4.938 -1.070) 5.431 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 5.248 16.159 4.795) 17.654 1.579 ( -6.631 11.270 -1.846) 13.206 1.686 ( 14.142 18.410 7.068) 24.266 1.946 ( -11.996 8.870 -14.028) 20.479 2.078 ( 8.039 0.411 2.453) 8.415 2.117 ( -5.895 2.399 -2.056) 6.688 2.389 ( -5.251 2.979 4.936) 7.798 2.408 ( 3.015 1.635 4.144) 5.379 2.574 ( -2.376 -3.588 5.441) 6.937 2.626 ( 0.834 -4.698 0.709) 4.823 2.721 ( -3.536 -3.150 0.328) 4.747 2.768 ( -1.712 -0.378 -0.529) 1.831 2.829 ( 0.601 0.775 1.302) 1.630 2.950 ( -4.655 5.504 4.059) 8.273 3.001 ( 1.572 8.214 -7.686) 11.358 3.050 ( 1.069 -1.579 -4.863) 5.223 3.209 ( 1.743 5.361 0.234) 5.642 3.217 ( 1.672 2.491 -2.238) 3.743 3.324 ( 4.606 -0.506 5.323) 7.057 3.378 ( 3.537 2.774 1.001) 4.605 3.414 ( 0.445 2.866 -2.823) 4.048 3.479 ( -3.316 2.451 -9.393) 10.258 3.865 ( 2.130 -0.796 5.743) 6.177 3.914 ( -0.678 1.080 -0.206) 1.292 3.944 ( 1.117 0.974 0.938) 1.754 4.022 ( -3.248 -0.977 -4.520) 5.651 4.094 ( -0.097 1.289 4.650) 4.827 4.133 ( -3.668 -2.148 1.899) 4.655 4.240 ( 1.784 -4.596 -2.280) 5.432 4.256 ( 0.040 -8.569 -4.927) 9.885 4.293 ( 1.891 1.648 6.180) 6.669 4.411 ( -4.378 -0.847 -2.978) 5.362 4.515 ( 2.140 -0.257 2.009) 2.947 4.575 ( 0.842 1.551 -2.718) 3.241 4.828 ( -2.149 -4.240 1.415) 4.960 4.853 ( 1.616 -3.400 -0.730) 3.835 5.094 ( -4.238 1.823 -0.452) 4.636 5.108 ( 3.148 0.079 -1.535) 3.503 5.295 ( 1.536 -4.154 3.225) 5.479 5.359 ( -1.523 -5.582 -3.569) 6.798 5.588 ( 5.635 -7.874 3.473) 10.286 5.626 ( -3.723 -7.441 -0.900) 8.369 5.761 ( -1.357 -0.909 3.937) 4.263 5.847 ( 0.664 -2.271 -4.453) 5.043 6.102 ( -2.907 1.426 8.460) 9.059 6.161 ( 7.096 -3.987 2.571) 8.536 6.296 ( 4.521 -3.453 7.624) 9.513 6.369 ( 2.133 -1.301 4.339) 5.007 6.432 ( -3.138 3.956 -11.055) 12.153 6.504 ( -6.368 -3.893 -0.451) 7.477 6.660 ( 1.529 -3.376 -0.452) 3.733 6.817 ( -2.538 -1.015 -10.059) 10.424 6.879 ( -2.020 3.733 1.627) 4.546 6.934 ( 3.002 2.618 -3.791) 5.499 7.019 ( -2.811 1.470 4.092) 5.177 7.104 ( 4.303 2.402 -4.669) 6.788 7.269 ( 2.871 0.330 2.562) 3.862 7.309 ( -4.414 -2.029 -1.363) 5.045 7.443 ( -1.786 -0.512 2.063) 2.776 7.497 ( 2.269 -0.586 -2.685) 3.564 7.654 ( -1.812 0.752 4.739) 5.129 7.739 ( 0.993 0.489 -3.015) 3.212 7.818 ( -1.028 0.368 1.248) 1.658 7.855 ( 2.389 -0.365 -1.847) 3.042 7.924 ( -0.986 0.307 3.184) 3.347 7.973 ( 1.252 0.325 -1.817) 2.230 8.083 ( 2.943 -1.157 3.542) 4.748 8.139 ( -0.915 2.036 -1.408) 2.639 8.186 ( -3.978 -2.950 3.586) 6.114 8.265 ( 1.876 0.351 -3.839) 4.288 8.384 ( -0.351 -1.712 0.122) 1.752 8.392 ( 0.326 -0.621 -0.578) 0.909 8.494 ( 1.544 1.492 1.070) 2.399 8.512 ( -1.430 1.416 -0.819) 2.172 8.697 ( -1.754 -0.731 2.493) 3.135 8.735 ( 1.875 -1.068 -1.329) 2.534 9.047 ( -0.079 3.525 -0.605) 3.577 9.057 ( -0.701 2.984 -1.653) 3.482 9.268 ( 0.855 -2.377 1.411) 2.894 9.289 ( -0.643 -2.519 -0.757) 2.708 13.185 ( 0.701 13.054 2.344) 13.281 13.241 ( -0.398 10.878 -3.397) 11.403 13.915 ( -0.595 -9.242 2.561) 9.609 13.963 ( 0.611 -10.678 -2.327) 10.946 17.078 ( -1.357 2.610 2.776) 4.045 17.121 ( 0.835 1.428 -0.836) 1.854 17.149 ( 4.456 2.335 2.241) 5.507 17.193 ( -6.824 1.808 -0.622) 7.087 17.315 ( -0.116 0.822 4.362) 4.440 17.382 ( -6.510 1.976 2.276) 7.174 17.450 ( 2.497 -0.051 -5.380) 5.931 17.492 ( 3.253 0.995 -7.380) 8.127 17.752 ( -5.300 -3.090 4.322) 7.505 17.762 ( -0.916 -3.119 4.723) 5.734 17.826 ( 5.232 -2.403 -2.742) 6.377 17.844 ( 4.305 -3.189 -2.377) 5.861 18.069 ( 2.776 -0.656 -0.507) 2.897 18.081 ( -2.360 -0.295 -1.444) 2.783 18.146 ( -0.772 0.175 1.233) 1.465 18.179 ( 0.337 -0.929 -1.956) 2.192 18.806 ( 0.434 1.330 0.557) 1.506 18.818 ( -0.193 1.838 -0.604) 1.944 18.978 ( -2.748 -4.393 3.069) 6.023 19.045 ( 2.781 -5.382 -3.586) 7.040 19.548 ( -5.023 -0.884 1.434) 5.298 19.567 ( 4.262 0.316 -0.500) 4.303 19.702 ( -3.185 -4.646 4.150) 6.997 19.771 ( 3.491 -4.404 -2.838) 6.296 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -6.479 10.840 -1.826) 12.760 1.627 ( -1.910 13.206 -12.780) 18.476 1.723 ( 9.245 15.623 2.429) 18.315 1.909 ( -10.585 1.241 -4.145) 11.436 2.064 ( 9.951 7.112 9.612) 15.557 2.182 ( 1.353 3.120 1.269) 3.630 2.308 ( -6.002 4.435 5.164) 9.075 2.483 ( -2.547 -4.848 -4.481) 7.076 2.494 ( -8.461 -6.174 7.487) 12.875 2.621 ( 0.875 -0.090 -0.005) 0.879 2.709 ( 1.819 -6.849 -0.304) 7.093 2.746 ( -2.983 1.543 5.679) 6.598 2.868 ( -5.360 10.873 4.983) 13.107 2.940 ( -2.954 -2.054 -0.258) 3.607 2.975 ( 4.663 -3.209 -1.362) 5.822 3.045 ( 0.512 8.252 7.171) 10.944 3.133 ( -3.126 1.724 -8.498) 9.217 3.203 ( 5.252 3.733 -5.884) 8.726 3.315 ( 0.530 4.575 -3.001) 5.497 3.360 ( -2.355 1.171 -2.823) 3.858 3.446 ( 4.417 7.060 -2.500) 8.695 3.631 ( 7.937 -0.864 0.157) 7.985 3.815 ( -3.747 4.233 1.582) 5.871 3.907 ( -0.625 -1.132 -3.090) 3.350 3.955 ( -1.221 0.104 -2.545) 2.825 4.000 ( -0.230 -2.569 6.161) 6.679 4.079 ( -2.645 4.479 1.899) 5.537 4.151 ( -0.442 -1.049 6.219) 6.323 4.196 ( 0.101 -6.805 -2.730) 7.333 4.276 ( 1.929 -5.458 -0.411) 5.803 4.324 ( -0.884 -0.212 -3.780) 3.888 4.392 ( 0.760 -2.277 6.340) 6.779 4.507 ( -0.984 3.128 -1.578) 3.639 4.627 ( 4.700 -1.202 -1.481) 5.073 4.796 ( -2.281 -3.525 1.886) 4.602 4.868 ( 0.438 -3.035 -2.120) 3.728 5.058 ( -0.155 0.477 3.144) 3.184 5.189 ( 5.563 0.522 -0.292) 5.595 5.302 ( -0.517 -4.715 -2.484) 5.354 5.362 ( 2.078 -4.558 2.716) 5.698 5.520 ( -4.062 -4.711 -3.911) 7.347 5.668 ( 1.017 -9.154 0.216) 9.213 5.804 ( 0.803 -2.630 3.805) 4.695 5.838 ( 2.001 -1.059 -2.834) 3.627 6.014 ( -8.778 -1.533 -1.089) 8.977 6.211 ( -1.916 0.397 -11.582) 11.746 6.270 ( -2.208 3.546 6.015) 7.323 6.329 ( -3.373 -3.148 -7.714) 8.988 6.440 ( 2.539 -0.633 1.931) 3.252 6.576 ( 5.976 -2.252 9.166) 11.172 6.668 ( -0.998 -4.086 -6.509) 7.750 6.738 ( -0.326 -4.426 7.831) 9.001 6.852 ( -2.298 4.277 2.407) 5.419 6.945 ( 1.527 1.971 -2.832) 3.773 7.012 ( -2.161 1.071 2.352) 3.368 7.143 ( 4.882 4.191 -4.408) 7.800 7.250 ( 0.382 -1.932 -0.677) 2.083 7.353 ( 1.298 0.708 3.460) 3.763 7.432 ( -1.083 -3.213 0.986) 3.531 7.496 ( 1.020 -0.475 -2.423) 2.671 7.688 ( -0.062 1.998 4.850) 5.246 7.735 ( 1.311 1.156 -2.965) 3.442 7.801 ( -0.922 0.176 -0.548) 1.087 7.860 ( 0.403 -0.532 -0.720) 0.982 7.932 ( 0.703 -0.542 -0.600) 1.071 7.981 ( -1.802 -1.449 -2.111) 3.131 8.072 ( 1.110 -0.363 -1.473) 1.879 8.144 ( 0.300 2.215 -0.102) 2.237 8.182 ( -0.074 1.029 2.570) 2.769 8.292 ( 1.221 0.152 -0.202) 1.247 8.355 ( -1.263 -2.291 0.244) 2.627 8.431 ( 1.944 -1.134 0.211) 2.260 8.470 ( -0.965 2.935 -1.872) 3.612 8.532 ( 1.338 -0.334 0.931) 1.664 8.675 ( -2.660 -0.296 1.664) 3.151 8.739 ( 0.207 -1.867 -2.073) 2.797 9.038 ( -0.141 3.711 0.573) 3.757 9.065 ( 1.136 2.799 1.126) 3.224 9.263 ( -0.781 -2.224 -1.026) 2.571 9.295 ( 0.568 -2.847 0.587) 2.962 13.161 ( -2.486 12.094 -0.656) 12.365 13.242 ( 0.948 13.070 0.145) 13.105 13.902 ( -1.248 -10.831 0.734) 10.927 13.998 ( 3.123 -9.742 -0.759) 10.259 17.010 ( -4.115 1.623 0.375) 4.439 17.042 ( -5.707 1.987 -0.700) 6.084 17.184 ( 0.075 -0.622 4.367) 4.412 17.230 ( -0.212 -0.913 5.210) 5.294 17.300 ( -2.856 2.169 1.972) 4.093 17.405 ( 1.587 -0.473 -6.364) 6.576 17.456 ( 6.106 3.484 6.177) 9.358 17.527 ( 1.342 2.546 -3.710) 4.695 17.641 ( -8.790 -4.851 -2.107) 10.258 17.661 ( -4.195 -4.073 2.387) 6.315 17.906 ( 5.192 -1.431 -4.018) 6.719 17.927 ( 3.481 -2.061 -2.364) 4.686 18.019 ( -1.718 -1.381 -1.071) 2.451 18.083 ( -1.820 -1.686 -0.030) 2.481 18.167 ( 2.056 0.756 2.093) 3.030 18.183 ( 0.896 0.809 -1.366) 1.823 18.791 ( -0.691 0.529 -0.316) 0.926 18.843 ( 1.605 1.458 0.104) 2.171 18.943 ( -3.396 -3.942 2.710) 5.866 19.046 ( 0.468 -4.349 -2.988) 5.297 19.461 ( -3.451 -1.197 1.854) 4.096 19.639 ( -2.989 -5.101 3.122) 6.686 19.708 ( 5.497 0.361 -0.606) 5.543 19.822 ( 3.695 -2.876 -3.571) 5.889 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.856 5.982 -3.011) 6.752 1.621 ( -0.200 4.634 -4.843) 6.706 1.696 ( 1.240 9.272 -2.314) 9.637 1.923 ( 7.754 8.379 2.032) 11.595 2.136 ( 2.804 -1.941 -1.647) 3.787 2.173 ( -10.281 -6.326 3.549) 12.582 2.247 ( -4.436 -0.778 5.842) 7.377 2.404 ( -7.171 -0.095 8.304) 10.972 2.505 ( 4.416 4.724 1.464) 6.630 2.582 ( -10.425 1.597 -4.458) 11.450 2.664 ( 0.321 6.466 2.348) 6.887 2.710 ( -7.976 0.510 -0.622) 8.016 2.773 ( -1.543 -1.415 3.119) 3.756 2.940 ( 0.132 0.575 3.539) 3.588 3.035 ( 4.417 6.284 -7.316) 10.608 3.068 ( 3.398 -7.104 -7.563) 10.918 3.106 ( -7.058 6.040 -4.100) 10.154 3.212 ( 2.027 5.404 -5.048) 7.668 3.308 ( 0.738 1.142 0.288) 1.389 3.328 ( 4.810 -0.431 5.611) 7.403 3.518 ( 3.059 5.849 -0.289) 6.607 3.670 ( 2.827 1.884 0.517) 3.436 3.814 ( -2.588 2.192 -0.958) 3.524 3.896 ( -0.821 2.989 -0.244) 3.109 3.934 ( 2.259 0.504 2.203) 3.196 3.981 ( -1.256 2.306 -0.657) 2.707 4.100 ( -2.734 -3.501 7.483) 8.702 4.166 ( 2.288 -2.846 -2.820) 4.614 4.230 ( 0.890 4.727 2.597) 5.466 4.295 ( -0.097 -2.738 2.222) 3.527 4.327 ( 2.461 1.889 1.005) 3.261 4.434 ( 0.240 -2.484 0.242) 2.507 4.511 ( 0.375 0.046 3.920) 3.939 4.687 ( 3.634 -2.797 -1.791) 4.923 4.766 ( -3.003 -4.200 -0.187) 5.166 4.830 ( -1.154 -2.545 -2.935) 4.052 5.125 ( 1.827 0.896 4.894) 5.300 5.281 ( 3.424 3.091 -1.609) 4.885 5.302 ( 1.993 -2.525 -0.481) 3.252 5.421 ( 2.837 -4.861 -0.242) 5.633 5.438 ( -0.903 -3.501 -0.460) 3.645 5.677 ( -0.631 -10.273 0.694) 10.316 5.757 ( -5.200 -2.604 -3.904) 7.004 5.862 ( 0.473 -0.105 -0.320) 0.581 5.895 ( -0.903 -4.465 2.079) 5.007 6.042 ( -2.460 -3.099 -9.878) 10.642 6.155 ( -4.545 -3.151 -8.170) 9.866 6.318 ( 1.038 0.001 -3.867) 4.004 6.437 ( -2.862 3.153 4.470) 6.174 6.646 ( 0.354 0.646 2.883) 2.975 6.735 ( 2.965 -2.379 1.030) 3.939 6.812 ( -0.271 -2.216 7.119) 7.461 6.854 ( -0.152 1.498 3.713) 4.006 6.944 ( 0.144 0.769 -1.098) 1.348 6.999 ( -0.561 3.306 3.413) 4.784 7.188 ( 2.978 2.577 -4.397) 5.902 7.301 ( 4.251 -0.994 1.100) 4.502 7.356 ( -1.795 0.113 -0.065) 1.800 7.413 ( -0.832 -4.172 -0.807) 4.330 7.520 ( 1.209 0.430 0.519) 1.384 7.709 ( -1.986 1.501 2.178) 3.308 7.732 ( 0.647 2.275 0.024) 2.365 7.790 ( 0.452 -0.256 -0.426) 0.672 7.874 ( 0.312 -1.114 1.623) 1.994 7.912 ( -0.312 -1.132 -3.722) 3.903 7.946 ( 1.738 -1.599 -1.671) 2.893 8.116 ( 2.617 0.573 -2.014) 3.352 8.134 ( 0.577 0.643 -1.296) 1.558 8.204 ( 0.502 1.683 0.998) 2.020 8.292 ( -1.344 1.383 1.140) 2.240 8.320 ( -2.962 -0.086 1.251) 3.216 8.414 ( -1.128 -0.126 -3.764) 3.932 8.488 ( 2.428 0.876 1.177) 2.837 8.571 ( 1.075 -0.948 1.172) 1.851 8.638 ( -1.907 0.119 0.251) 1.927 8.704 ( -1.144 -2.502 -2.576) 3.769 9.057 ( 0.555 3.328 1.958) 3.902 9.106 ( 1.127 1.745 1.830) 2.768 9.244 ( -0.055 -1.621 -0.737) 1.782 9.299 ( -0.306 -2.703 -0.347) 2.742 13.130 ( -0.564 12.652 0.745) 12.687 13.238 ( -0.834 13.859 -1.115) 13.929 13.907 ( 0.583 -11.719 1.741) 11.862 14.032 ( 1.190 -10.342 -1.613) 10.535 16.964 ( -1.026 0.756 1.858) 2.253 16.995 ( -0.195 -0.254 2.165) 2.189 17.195 ( -4.484 -1.780 7.385) 8.821 17.225 ( -5.318 -0.141 6.111) 8.102 17.306 ( 0.423 -1.085 -2.850) 3.079 17.352 ( -2.746 -0.692 -5.453) 6.145 17.408 ( -3.290 -1.384 -5.360) 6.439 17.444 ( -3.524 -3.565 -6.904) 8.532 17.652 ( 5.439 2.295 7.793) 9.776 17.726 ( 3.693 0.285 5.177) 6.366 17.931 ( 0.525 -1.103 -1.363) 1.830 17.948 ( 2.732 -0.700 -3.286) 4.330 17.994 ( 0.633 -2.054 -3.130) 3.797 18.051 ( -1.429 -1.427 -0.039) 2.020 18.173 ( 0.040 1.747 -1.666) 2.414 18.211 ( 0.190 1.187 0.887) 1.493 18.785 ( 0.493 -0.755 0.007) 0.902 18.859 ( -1.533 -1.857 1.449) 2.811 18.924 ( 0.707 -0.828 -0.023) 1.089 19.005 ( -1.828 -1.922 -1.929) 3.280 19.469 ( 0.802 -1.538 4.508) 4.830 19.622 ( -2.506 -5.256 5.689) 8.141 19.778 ( 2.256 0.644 -3.888) 4.542 19.820 ( 1.889 -1.855 -6.002) 6.561 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 5.396 0.335 -1.144) 5.526 1.447 ( -3.262 3.524 -5.849) 7.567 1.873 ( 3.300 -2.160 4.466) 5.958 1.950 ( -3.693 -1.754 -3.330) 5.273 2.152 ( 6.231 0.193 7.789) 9.977 2.238 ( 4.288 3.383 4.444) 7.041 2.258 ( -6.808 3.036 -0.330) 7.461 2.326 ( -3.467 -1.168 5.512) 6.615 2.351 ( -2.965 5.823 -2.166) 6.884 2.489 ( -1.081 5.666 -7.760) 9.670 2.619 ( 0.666 -2.929 1.737) 3.470 2.697 ( 1.880 0.849 -3.445) 4.015 2.809 ( 0.552 6.821 8.400) 10.834 2.901 ( -7.683 8.476 2.019) 11.617 2.932 ( -5.994 0.662 2.573) 6.557 3.058 ( 3.834 6.695 -5.455) 9.449 3.068 ( 2.189 -3.171 -3.236) 5.031 3.139 ( 0.592 -0.050 -9.384) 9.403 3.350 ( 2.574 -0.844 3.120) 4.131 3.447 ( 2.250 -2.104 -3.954) 5.012 3.606 ( 5.494 2.471 3.451) 6.942 3.698 ( -4.378 -0.115 -5.914) 7.359 3.766 ( 0.777 1.983 4.820) 5.269 3.848 ( -2.042 2.022 -2.403) 3.746 3.979 ( 0.158 5.382 4.108) 6.772 4.043 ( 4.195 2.790 0.243) 5.044 4.095 ( -4.013 -0.650 4.345) 5.951 4.160 ( 0.933 1.178 -1.726) 2.289 4.305 ( -3.332 -0.771 2.893) 4.480 4.331 ( 5.277 3.498 0.553) 6.355 4.349 ( -2.339 1.135 3.954) 4.732 4.439 ( 2.384 -0.329 -3.212) 4.013 4.566 ( -1.317 -2.036 6.182) 6.640 4.679 ( -0.310 -2.492 -4.988) 5.584 4.740 ( 1.773 -4.155 0.411) 4.536 4.766 ( -2.207 -3.143 -2.662) 4.673 5.202 ( 0.876 2.072 4.277) 4.833 5.266 ( -1.038 4.401 -3.139) 5.504 5.364 ( 1.883 -2.725 2.567) 4.191 5.400 ( -2.280 -3.461 -0.497) 4.174 5.509 ( 4.139 -5.687 1.609) 7.215 5.583 ( -4.455 -8.022 -4.923) 10.413 5.741 ( 2.197 -3.785 2.840) 5.217 5.808 ( -3.059 -2.140 -2.250) 4.359 5.951 ( -0.906 -5.059 -1.994) 5.513 5.977 ( 4.076 -2.359 2.864) 5.512 6.026 ( -1.256 -4.184 -2.964) 5.280 6.176 ( -3.458 -5.243 -12.252) 13.768 6.548 ( 3.413 5.744 9.994) 12.021 6.644 ( -1.931 2.989 0.069) 3.559 6.754 ( -0.856 -1.991 1.490) 2.630 6.857 ( 2.522 0.277 -2.950) 3.891 6.906 ( -2.609 0.268 0.808) 2.744 6.926 ( 3.511 1.832 1.426) 4.210 7.065 ( 0.971 2.614 5.309) 5.997 7.152 ( -1.723 2.257 -3.826) 4.765 7.318 ( -2.380 -0.937 0.979) 2.739 7.368 ( 2.625 -2.092 -2.955) 4.472 7.444 ( 4.052 -1.295 1.929) 4.671 7.492 ( -2.925 -0.676 -2.089) 3.657 7.705 ( -2.785 2.567 3.608) 5.231 7.745 ( 1.277 1.661 0.567) 2.170 7.801 ( 0.378 -0.983 1.129) 1.544 7.866 ( 0.044 0.388 -3.087) 3.112 7.908 ( -0.004 -1.905 0.733) 2.041 7.950 ( 0.517 -1.208 -2.280) 2.631 8.118 ( -0.108 -0.111 -0.870) 0.883 8.127 ( -0.389 -0.713 -1.461) 1.672 8.242 ( 1.536 1.840 1.830) 3.016 8.268 ( -1.771 2.444 -0.390) 3.043 8.298 ( -0.036 0.129 2.157) 2.161 8.354 ( -0.253 -0.946 -3.791) 3.915 8.554 ( 0.886 0.148 2.362) 2.527 8.568 ( -0.679 0.455 0.380) 0.901 8.623 ( -0.524 -0.623 0.300) 0.868 8.660 ( 0.261 -1.908 -2.905) 3.485 9.091 ( 0.496 2.104 2.356) 3.197 9.125 ( 0.112 1.696 -0.633) 1.814 9.252 ( 0.465 -1.539 1.049) 1.920 9.279 ( -0.644 -2.023 -1.303) 2.491 13.153 ( 1.071 13.105 2.092) 13.314 13.199 ( -0.832 13.820 -2.501) 14.069 13.948 ( 0.104 -11.806 3.256) 12.247 14.012 ( 0.028 -11.363 -3.192) 11.803 17.028 ( 3.928 0.114 5.113) 6.449 17.060 ( 1.434 -0.996 4.451) 4.781 17.132 ( -2.938 0.848 -2.814) 4.156 17.159 ( -3.521 0.482 -2.865) 4.565 17.218 ( -4.202 -3.159 4.287) 6.784 17.261 ( -4.884 -3.082 5.841) 8.214 17.370 ( 3.395 -2.742 -7.810) 8.947 17.409 ( 4.400 -2.326 -7.154) 8.715 17.792 ( 0.512 -0.345 7.266) 7.292 17.833 ( -0.417 -0.194 7.897) 7.911 17.933 ( 1.623 0.220 -6.256) 6.466 17.961 ( 1.271 1.479 0.956) 2.172 17.975 ( 2.668 -1.505 -4.814) 5.706 17.996 ( -2.508 1.826 -3.733) 4.854 18.179 ( 1.369 0.220 0.617) 1.517 18.192 ( -1.953 0.408 -0.387) 2.032 18.814 ( 1.888 -2.014 0.987) 2.932 18.821 ( -2.702 -2.477 0.620) 3.717 18.951 ( -2.180 -0.086 -0.525) 2.244 18.962 ( 3.058 -0.579 -1.371) 3.400 19.564 ( 2.539 -2.137 6.633) 7.417 19.654 ( -1.811 -4.393 7.701) 9.049 19.699 ( -2.797 0.749 -6.930) 7.511 19.797 ( 1.430 -2.056 -6.824) 7.269 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.602 11.939 -2.516) 12.216 1.574 ( 5.919 -0.895 -0.007) 5.987 1.718 ( -7.209 9.039 -4.311) 12.339 1.942 ( -2.062 -1.843 3.986) 4.852 2.082 ( -10.059 3.242 -0.336) 10.573 2.225 ( 2.001 -6.094 -2.888) 7.035 2.287 ( 2.725 -1.014 1.551) 3.296 2.437 ( 10.229 0.813 5.418) 11.604 2.513 ( -0.292 3.303 0.318) 3.331 2.571 ( 11.862 4.140 2.378) 12.787 2.636 ( 5.197 6.768 1.848) 8.731 2.731 ( 2.344 -9.352 -4.258) 10.539 2.798 ( -4.913 8.957 5.717) 11.707 2.876 ( -0.994 10.171 3.601) 10.835 2.941 ( 2.154 2.876 6.004) 6.997 2.984 ( -3.992 -2.874 -2.048) 5.328 3.113 ( 3.226 1.840 -4.451) 5.797 3.139 ( 4.615 3.356 -0.207) 5.710 3.367 ( -0.796 0.409 -1.871) 2.074 3.454 ( 0.852 -3.614 -6.063) 7.110 3.542 ( -3.552 3.223 -5.239) 7.103 3.667 ( -6.599 3.663 0.620) 7.572 3.757 ( 4.859 -1.920 3.476) 6.275 3.882 ( 0.339 0.998 0.667) 1.247 3.976 ( -1.952 0.626 -0.508) 2.112 4.057 ( -0.314 5.727 -3.136) 6.537 4.094 ( 0.783 3.173 2.249) 3.967 4.171 ( -3.137 -3.127 0.641) 4.475 4.201 ( -2.671 4.531 0.382) 5.273 4.328 ( -1.738 -1.340 0.854) 2.356 4.384 ( -1.200 0.436 0.283) 1.308 4.459 ( 2.352 -2.614 -4.917) 6.046 4.559 ( -0.775 0.402 0.058) 0.875 4.645 ( -5.258 -2.525 1.832) 6.114 4.755 ( 4.467 -4.117 0.244) 6.080 4.797 ( 2.641 -3.820 0.889) 4.729 5.196 ( -2.999 3.327 -2.315) 5.042 5.237 ( -1.096 3.333 2.425) 4.265 5.295 ( -4.455 -2.885 0.284) 5.315 5.447 ( -3.403 -5.744 -3.154) 7.384 5.458 ( 0.785 -5.399 -1.231) 5.593 5.622 ( 5.738 -7.235 6.506) 11.296 5.747 ( -0.314 -4.522 -3.369) 5.648 5.834 ( 1.619 -0.425 4.746) 5.033 5.891 ( -2.620 -3.422 -0.512) 4.341 5.988 ( -0.610 -5.276 -5.190) 7.426 6.079 ( 3.248 -4.992 -0.506) 5.977 6.124 ( 2.634 -4.138 9.811) 10.969 6.606 ( 1.708 3.195 -6.326) 7.290 6.685 ( 2.681 3.678 1.961) 4.956 6.733 ( -3.594 1.009 2.072) 4.269 6.847 ( 2.671 0.967 -3.803) 4.747 6.904 ( 0.817 -0.865 -0.473) 1.280 6.981 ( 1.999 2.586 -2.181) 3.929 7.075 ( -1.519 3.457 -3.700) 5.287 7.099 ( -3.099 1.969 4.713) 5.975 7.300 ( -1.589 -2.774 2.213) 3.888 7.361 ( -0.573 2.406 -3.622) 4.386 7.430 ( 0.623 -3.975 -1.422) 4.267 7.524 ( 1.577 0.735 0.553) 1.826 7.673 ( -3.515 2.425 3.646) 5.615 7.762 ( 0.903 -1.262 -1.970) 2.507 7.822 ( -1.830 -0.255 2.673) 3.249 7.836 ( 0.439 0.220 -1.947) 2.008 7.897 ( -0.937 -2.924 1.048) 3.244 7.936 ( 0.602 -0.638 -2.008) 2.191 8.089 ( -2.556 -0.780 0.388) 2.700 8.110 ( -1.041 0.750 1.060) 1.665 8.227 ( -0.288 1.712 -1.167) 2.092 8.296 ( 1.131 1.794 1.543) 2.623 8.333 ( 1.097 -2.012 0.208) 2.301 8.363 ( 3.342 1.026 0.103) 3.498 8.504 ( -3.143 0.228 -0.564) 3.202 8.589 ( -2.063 -2.083 0.355) 2.953 8.638 ( 2.977 0.715 0.824) 3.171 8.667 ( 1.459 -0.587 -0.451) 1.636 9.094 ( -0.853 2.340 -1.123) 2.732 9.125 ( 0.366 1.361 -0.355) 1.453 9.239 ( -1.204 -1.369 -0.140) 1.829 9.287 ( 0.880 -1.831 0.651) 2.133 13.149 ( -0.762 13.755 -0.999) 13.813 13.221 ( 2.853 12.205 0.438) 12.541 13.928 ( -2.592 -10.137 0.158) 10.464 14.014 ( 0.772 -12.679 -0.353) 12.708 17.013 ( -0.857 2.107 -2.550) 3.417 17.054 ( -0.809 1.334 -3.250) 3.605 17.190 ( 0.218 -0.270 4.580) 4.593 17.215 ( -2.198 -2.216 7.355) 7.990 17.257 ( 3.425 0.074 5.062) 6.113 17.277 ( 8.243 -2.553 6.540) 10.828 17.375 ( 4.156 -2.644 -6.193) 7.913 17.417 ( 3.856 -3.367 -6.511) 8.282 17.793 ( -5.953 2.505 -0.627) 6.489 17.827 ( -3.409 -0.643 -1.630) 3.833 17.868 ( -2.805 -0.387 0.508) 2.876 17.905 ( -0.855 -1.765 -3.108) 3.675 17.993 ( 2.748 -0.362 -2.475) 3.716 18.041 ( 3.449 1.407 0.845) 3.819 18.155 ( -1.065 0.082 0.390) 1.138 18.215 ( 0.913 0.363 0.529) 1.116 18.785 ( -1.108 -0.865 0.183) 1.418 18.863 ( 0.469 -1.046 1.038) 1.546 18.919 ( 0.310 -1.007 0.446) 1.145 19.004 ( 2.749 -2.263 -1.852) 4.014 19.568 ( -2.845 1.149 -5.144) 5.990 19.671 ( 0.499 -2.787 5.097) 5.831 19.687 ( -3.016 -3.569 6.697) 8.166 19.752 ( 1.410 -3.728 -5.228) 6.573 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 5.642 18.587 5.300) 20.135 1.492 ( -1.455 16.817 -1.985) 16.997 1.778 ( -5.070 8.958 -2.338) 10.556 1.866 ( 7.655 0.746 -1.161) 7.779 2.066 ( 0.836 -6.175 6.537) 9.031 2.237 ( -0.701 -0.262 0.328) 0.817 2.376 ( 2.114 -0.347 2.642) 3.402 2.436 ( -5.997 6.890 -4.746) 10.294 2.579 ( -2.232 8.846 6.894) 11.435 2.599 ( -0.767 -0.380 -1.743) 1.942 2.716 ( 3.427 -7.565 -5.884) 10.178 2.796 ( 0.410 0.874 1.469) 1.758 2.887 ( 2.941 -4.708 1.114) 5.662 2.949 ( 5.926 0.450 2.822) 6.580 2.955 ( 4.729 7.948 0.488) 9.261 2.985 ( -0.403 2.127 1.604) 2.695 3.124 ( 2.278 1.636 0.137) 2.808 3.237 ( 2.157 8.449 0.229) 8.723 3.271 ( -4.342 2.926 -6.785) 8.570 3.382 ( 1.255 -2.759 -3.292) 4.474 3.436 ( -3.441 5.203 -2.022) 6.558 3.623 ( -1.448 3.678 0.159) 3.956 3.841 ( -3.795 -2.450 2.126) 4.992 3.875 ( 3.464 1.484 1.648) 4.113 3.916 ( -1.219 -1.974 -2.569) 3.461 4.035 ( 0.950 1.431 1.622) 2.363 4.125 ( 1.767 -1.375 -1.162) 2.522 4.156 ( -2.593 -0.567 -2.170) 3.428 4.188 ( 0.155 3.826 7.370) 8.306 4.299 ( -1.332 -2.860 -4.696) 5.657 4.313 ( -2.238 -3.838 -2.678) 5.188 4.453 ( 1.834 -1.116 -0.688) 2.255 4.519 ( -3.204 0.166 -1.861) 3.709 4.596 ( -1.887 -0.884 1.491) 2.562 4.819 ( 1.327 -5.111 1.562) 5.507 4.841 ( 1.458 -3.310 -1.240) 3.824 5.118 ( -1.691 1.187 -2.693) 3.394 5.193 ( -4.762 3.144 -0.168) 5.709 5.255 ( -0.900 -3.542 2.337) 4.338 5.401 ( 0.186 -5.459 -0.552) 5.490 5.461 ( 2.244 -5.100 0.489) 5.593 5.687 ( -1.293 -9.629 -2.190) 9.959 5.782 ( -4.062 1.094 1.445) 4.448 5.843 ( 5.747 -4.194 2.029) 7.398 5.960 ( 4.565 -3.937 4.570) 7.565 6.007 ( 2.157 -3.128 7.496) 8.404 6.163 ( 2.322 -4.334 5.011) 7.020 6.268 ( 2.548 -3.656 8.095) 9.240 6.565 ( 1.135 4.597 -9.274) 10.413 6.643 ( -3.820 0.309 -4.892) 6.214 6.684 ( -1.977 -0.494 -1.901) 2.786 6.875 ( 1.504 1.715 -1.126) 2.544 6.915 ( 2.531 2.790 -3.461) 5.116 6.949 ( -1.402 -0.318 -5.604) 5.785 7.054 ( -3.955 4.262 3.571) 6.823 7.063 ( 2.144 1.532 -1.714) 3.143 7.248 ( -1.924 -0.642 -1.019) 2.270 7.366 ( -0.267 -1.003 1.564) 1.877 7.451 ( 1.228 -2.223 -0.063) 2.541 7.497 ( -1.635 1.593 -2.501) 3.386 7.657 ( -2.680 0.764 4.051) 4.917 7.770 ( -1.399 0.454 -2.375) 2.793 7.788 ( 2.536 -1.003 0.565) 2.785 7.837 ( -0.893 -0.841 1.349) 1.824 7.912 ( -0.150 -2.635 1.758) 3.172 7.953 ( 2.821 0.338 -0.411) 2.871 8.042 ( -2.425 -0.572 1.475) 2.896 8.119 ( 0.293 1.987 2.036) 2.860 8.220 ( 0.103 -0.780 -1.202) 1.437 8.300 ( -1.434 1.258 -0.465) 1.964 8.355 ( 1.267 -2.695 0.073) 2.979 8.434 ( 1.234 -0.208 0.787) 1.478 8.444 ( -0.803 2.359 -0.365) 2.519 8.550 ( -1.703 -0.470 -0.640) 1.879 8.690 ( -0.198 -0.941 2.674) 2.841 8.698 ( 2.950 -0.145 -0.973) 3.109 9.064 ( -0.449 3.479 -1.820) 3.952 9.101 ( -1.244 1.523 -2.238) 2.979 9.239 ( 0.427 -1.487 1.376) 2.070 9.300 ( -0.025 -2.321 0.085) 2.323 13.147 ( 0.886 13.272 0.548) 13.313 13.262 ( 1.481 11.019 -1.580) 11.230 13.899 ( -0.646 -9.568 0.948) 9.636 13.999 ( -1.483 -11.459 -0.861) 11.586 17.020 ( 2.946 3.104 -0.761) 4.347 17.055 ( 3.971 3.024 -2.003) 5.379 17.171 ( -4.607 -0.595 3.713) 5.947 17.228 ( -3.455 -0.547 8.248) 8.959 17.360 ( 0.591 -1.970 -5.953) 6.299 17.389 ( 5.540 -0.165 -3.618) 6.619 17.457 ( 0.847 1.092 2.397) 2.767 17.544 ( 8.564 -3.142 5.435) 10.618 17.622 ( -3.423 3.656 -6.707) 8.371 17.747 ( 2.275 -0.397 -6.381) 6.785 17.819 ( -4.654 -2.183 4.238) 6.662 17.880 ( -2.902 -4.480 2.107) 5.738 18.025 ( 2.907 -1.064 -1.834) 3.598 18.090 ( 1.742 -1.268 -0.470) 2.206 18.157 ( -0.586 1.688 1.181) 2.142 18.208 ( -0.950 0.166 -1.590) 1.860 18.784 ( 0.616 0.747 0.341) 1.027 18.844 ( -1.569 1.707 -0.022) 2.319 18.965 ( 1.451 -4.178 1.877) 4.804 19.028 ( 2.152 -3.901 -2.524) 5.121 19.507 ( 1.084 1.365 -2.622) 3.149 19.653 ( -5.463 -2.715 2.996) 6.796 19.689 ( -0.361 -3.316 1.877) 3.827 19.763 ( 0.471 -5.222 0.244) 5.249 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -5.298 13.348 2.668) 14.607 1.871 ( 2.463 14.858 4.568) 15.739 1.964 ( 5.114 3.023 -0.244) 5.946 2.043 ( -0.918 3.446 -3.989) 5.351 2.135 ( 7.267 8.047 4.392) 11.698 2.221 ( -1.337 1.849 -0.123) 2.285 2.248 ( -2.030 -11.976 6.644) 13.845 2.382 ( -1.458 -12.779 -7.334) 14.806 2.429 ( 2.784 1.984 1.721) 3.828 2.530 ( -5.231 2.147 -4.650) 7.320 2.617 ( -5.813 -8.033 -3.809) 10.622 2.630 ( 4.060 -8.319 -4.508) 10.296 2.956 ( -1.289 4.789 1.786) 5.271 2.980 ( -0.849 0.158 -0.397) 0.950 3.110 ( -2.519 4.520 3.417) 6.201 3.146 ( 4.659 0.402 0.132) 4.678 3.233 ( 0.585 2.491 2.205) 3.378 3.259 ( 1.737 0.091 -0.712) 1.879 3.365 ( -1.842 3.066 -0.623) 3.631 3.388 ( -0.265 1.590 -1.444) 2.164 3.604 ( 1.677 11.887 1.850) 12.147 3.660 ( -1.129 11.275 -3.339) 11.813 3.819 ( -1.512 -0.950 5.844) 6.111 3.861 ( 3.148 -6.685 2.419) 7.775 3.880 ( -1.242 -8.853 4.319) 9.929 3.952 ( -0.756 -9.489 -3.987) 10.320 4.081 ( 1.582 0.758 -2.314) 2.904 4.116 ( 1.683 -0.356 -4.741) 5.044 4.154 ( -2.978 2.669 1.625) 4.317 4.190 ( -1.951 -0.831 -1.345) 2.511 4.333 ( -0.014 1.466 2.125) 2.582 4.373 ( -2.272 -2.500 -1.587) 3.732 4.560 ( -2.274 4.382 3.304) 5.940 4.627 ( 2.195 1.438 -2.837) 3.865 4.724 ( -0.734 -3.752 1.571) 4.133 4.765 ( 2.834 -4.627 -2.168) 5.843 5.130 ( 1.864 2.385 0.512) 3.070 5.157 ( -2.409 2.181 -2.157) 3.900 5.231 ( 1.285 -1.422 0.920) 2.126 5.266 ( -1.752 -3.275 -2.727) 4.607 5.451 ( 2.417 -3.666 1.357) 4.596 5.474 ( -1.126 -5.579 -1.005) 5.780 5.764 ( -1.143 0.660 1.603) 2.076 5.797 ( 0.616 -2.454 -1.792) 3.100 6.141 ( 7.981 1.734 8.138) 11.529 6.178 ( 1.950 3.341 9.405) 10.169 6.221 ( 2.430 -1.649 8.286) 8.791 6.311 ( 0.171 -4.915 6.032) 7.782 6.463 ( -6.444 0.858 -4.041) 7.654 6.493 ( -4.111 -0.411 -5.140) 6.595 6.638 ( 0.241 2.963 -8.679) 9.175 6.738 ( -0.562 -5.225 -12.682) 13.728 6.956 ( -1.060 2.866 1.653) 3.475 6.987 ( 0.182 0.253 -0.319) 0.446 7.071 ( -2.826 4.339 1.839) 5.495 7.136 ( 3.275 -0.297 -3.845) 5.059 7.243 ( 0.621 -1.414 0.192) 1.556 7.263 ( 0.564 -2.168 -1.561) 2.730 7.450 ( -1.664 1.067 1.107) 2.266 7.477 ( 0.509 -1.347 -1.443) 2.039 7.691 ( -0.742 2.421 4.114) 4.831 7.733 ( 0.054 -1.305 0.923) 1.599 7.826 ( 0.508 0.629 -1.102) 1.367 7.842 ( 1.667 -0.799 -1.734) 2.535 7.959 ( 1.141 2.981 3.006) 4.385 7.998 ( -0.437 1.932 -0.621) 2.075 8.039 ( 2.542 -2.691 3.638) 5.190 8.083 ( -3.670 -4.461 -0.016) 5.777 8.233 ( 1.133 4.423 1.874) 4.936 8.291 ( 0.112 1.349 -3.132) 3.412 8.331 ( 0.528 -2.512 0.667) 2.652 8.358 ( -1.192 -2.432 -1.628) 3.160 8.530 ( 0.001 1.478 1.251) 1.936 8.540 ( -0.281 0.662 0.302) 0.780 8.692 ( -0.565 0.354 0.860) 1.089 8.711 ( 0.859 -1.236 -0.906) 1.757 9.108 ( -0.280 2.180 -0.423) 2.239 9.113 ( 0.239 1.964 -1.011) 2.222 9.224 ( 0.152 -1.384 0.494) 1.477 9.237 ( -0.457 -2.258 -0.784) 2.433 13.450 ( 0.877 12.428 0.506) 12.469 13.463 ( -0.517 10.593 -0.840) 10.638 13.709 ( -1.023 -10.299 1.300) 10.431 13.729 ( 0.965 -11.758 -0.734) 11.820 17.127 ( -3.696 1.862 3.716) 5.562 17.147 ( 0.002 0.288 2.813) 2.827 17.189 ( 1.953 2.444 -0.183) 3.133 17.229 ( -4.524 0.115 -3.571) 5.765 17.321 ( 5.228 1.181 4.436) 6.957 17.372 ( 0.084 -2.491 1.238) 2.783 17.450 ( -2.093 0.571 -4.532) 5.025 17.477 ( 0.217 -1.739 -5.623) 5.890 17.717 ( -7.205 -0.455 4.475) 8.494 17.723 ( -5.684 -0.954 4.605) 7.377 17.800 ( 7.757 -0.035 -3.746) 8.615 17.810 ( 8.420 -0.846 -4.390) 9.533 18.069 ( 2.606 0.446 -0.131) 2.647 18.078 ( -0.407 -0.258 -0.716) 0.863 18.148 ( -1.425 0.245 -0.230) 1.464 18.161 ( -1.080 -0.849 -1.331) 1.913 18.838 ( -1.076 1.855 1.271) 2.493 18.858 ( 0.093 1.644 -0.328) 1.679 18.904 ( -1.423 -2.124 1.246) 2.844 18.944 ( 2.040 -4.227 -2.363) 5.255 19.541 ( -6.512 0.887 3.836) 7.610 19.576 ( -1.020 -1.383 1.998) 2.635 19.639 ( 1.884 0.295 0.309) 1.932 19.690 ( 5.312 -3.535 -3.066) 7.079 ======================= Grid point 142 (76/80) ======================= q-point: ( 0.17 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -10.820 14.597 4.350) 18.683 1.847 ( -6.015 4.669 -6.138) 9.780 1.979 ( -5.171 7.713 -4.818) 10.461 2.032 ( 0.991 6.723 -3.670) 7.724 2.084 ( 3.152 3.750 2.714) 5.600 2.166 ( -11.695 -11.062 1.909) 16.211 2.216 ( -2.858 -5.163 -1.378) 6.060 2.387 ( 3.968 -11.426 -2.196) 12.293 2.477 ( 6.930 6.769 2.959) 10.130 2.566 ( -0.454 -1.061 2.766) 2.997 2.587 ( 3.311 -0.108 3.057) 4.507 2.755 ( -1.390 -9.297 -2.449) 9.714 2.805 ( 0.735 2.338 3.615) 4.367 2.888 ( -4.904 -4.536 1.636) 6.877 3.127 ( -6.061 10.655 2.591) 12.529 3.196 ( 0.868 3.551 -6.492) 7.451 3.226 ( 2.025 4.130 5.288) 7.008 3.260 ( 1.459 -0.296 -6.752) 6.914 3.364 ( -2.406 1.159 1.739) 3.187 3.417 ( 2.277 1.348 -0.527) 2.698 3.630 ( 1.157 10.864 -2.736) 11.263 3.704 ( 4.704 7.801 2.702) 9.501 3.801 ( -3.673 -3.257 3.170) 5.843 3.852 ( 0.484 -1.787 -2.936) 3.471 3.886 ( -1.925 -10.639 0.196) 10.814 3.974 ( 4.134 -7.467 0.554) 8.553 4.059 ( -0.900 3.128 -1.739) 3.690 4.109 ( 0.968 -0.836 -1.097) 1.685 4.185 ( 2.541 2.953 2.859) 4.832 4.225 ( 3.519 -0.735 3.984) 5.366 4.330 ( -1.278 0.397 1.158) 1.770 4.345 ( -1.931 -1.513 4.182) 4.849 4.549 ( -1.900 1.735 2.017) 3.269 4.624 ( -0.467 -2.300 -1.166) 2.621 4.724 ( 1.195 0.477 -2.161) 2.515 4.797 ( 2.498 -4.041 -3.789) 6.077 5.104 ( -0.149 3.992 0.744) 4.064 5.190 ( 1.888 -3.037 0.158) 3.580 5.244 ( 2.440 0.903 0.535) 2.656 5.287 ( 2.353 -2.737 1.209) 3.807 5.435 ( -0.859 -1.706 -2.401) 3.068 5.491 ( 0.948 -6.694 -0.136) 6.762 5.774 ( -0.129 0.024 1.730) 1.735 5.802 ( 0.946 -2.204 -0.183) 2.405 6.064 ( -7.521 4.842 -8.521) 12.354 6.172 ( -6.333 -4.890 -12.000) 14.423 6.313 ( 3.659 2.219 -3.072) 5.268 6.337 ( -1.995 1.110 -1.927) 2.987 6.452 ( 3.039 2.519 10.903) 11.596 6.547 ( 2.833 -4.699 7.956) 9.665 6.581 ( -0.545 0.909 0.499) 1.171 6.651 ( 0.046 -4.250 1.612) 4.545 6.932 ( -2.945 3.075 2.414) 4.895 6.975 ( -1.073 -0.666 0.496) 1.357 7.058 ( -0.780 4.573 1.912) 5.018 7.161 ( 1.497 -4.227 -1.127) 4.623 7.239 ( 2.718 3.054 -2.746) 4.925 7.312 ( 2.794 -3.711 -1.740) 4.960 7.434 ( -1.321 2.024 1.841) 3.039 7.472 ( 0.284 -1.568 0.156) 1.601 7.737 ( 1.446 2.075 2.985) 3.912 7.752 ( 1.354 0.441 -0.670) 1.574 7.806 ( -0.976 0.521 -2.390) 2.634 7.830 ( -0.387 -1.806 -1.831) 2.600 7.922 ( -1.375 0.158 -1.106) 1.771 7.950 ( -3.830 -2.037 -0.695) 4.394 8.097 ( 4.842 3.429 -0.081) 5.934 8.170 ( 3.935 -2.030 1.790) 4.776 8.223 ( -1.581 3.202 -2.204) 4.197 8.292 ( -0.040 -2.474 -0.894) 2.631 8.313 ( 0.390 1.865 1.287) 2.299 8.381 ( 1.583 -3.365 0.745) 3.793 8.524 ( -0.601 1.897 -0.144) 1.995 8.540 ( -0.283 0.341 0.640) 0.779 8.675 ( -1.921 0.568 0.616) 2.096 8.701 ( -0.787 -1.739 -1.300) 2.310 9.107 ( 0.229 2.644 0.284) 2.669 9.117 ( 0.770 1.816 -0.099) 1.975 9.221 ( -0.486 -1.409 -0.125) 1.496 9.236 ( 0.135 -2.589 0.738) 2.695 13.408 ( -2.168 11.871 -0.121) 12.068 13.502 ( 2.054 11.302 -0.564) 11.501 13.674 ( -1.923 -10.316 0.769) 10.522 13.777 ( 2.784 -11.623 -0.682) 11.971 17.056 ( -5.654 2.331 1.375) 6.268 17.078 ( -7.210 0.772 0.229) 7.255 17.168 ( -2.976 -0.205 5.626) 6.368 17.194 ( -3.194 -2.173 5.201) 6.479 17.339 ( 0.944 1.814 -3.795) 4.310 17.377 ( 1.657 -1.813 -7.449) 7.843 17.510 ( 6.403 1.814 3.220) 7.393 17.544 ( 3.654 -1.262 -1.571) 4.173 17.586 ( -9.088 0.028 1.734) 9.252 17.607 ( -5.967 -1.519 4.783) 7.797 17.893 ( 5.767 -0.017 -5.080) 7.686 17.900 ( 5.439 -0.682 -4.906) 7.356 18.012 ( -2.931 0.730 -0.906) 3.154 18.043 ( -2.939 -2.003 -0.539) 3.597 18.185 ( 2.900 0.786 1.534) 3.373 18.193 ( 2.169 0.078 0.425) 2.211 18.806 ( -2.277 1.252 0.820) 2.725 18.845 ( -2.875 -2.099 2.002) 4.084 18.907 ( 1.547 1.531 -0.551) 2.245 18.964 ( 1.544 -3.564 -1.631) 4.212 19.467 ( -4.562 1.890 4.167) 6.461 19.535 ( -4.653 -4.500 4.643) 7.966 19.729 ( 6.958 1.519 -3.685) 8.018 19.768 ( 5.787 -2.292 -4.573) 7.724 ======================= Grid point 143 (77/80) ======================= q-point: ( 0.33 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -9.188 11.918 2.435) 15.244 1.680 ( -6.411 1.071 -4.890) 8.134 1.836 ( -2.643 -0.542 -5.998) 6.577 1.911 ( -9.765 -11.035 -1.431) 14.805 2.052 ( 3.868 7.243 3.973) 9.122 2.208 ( 0.336 -4.333 3.669) 5.687 2.250 ( 7.361 9.387 0.010) 11.929 2.412 ( -2.292 -1.839 0.688) 3.018 2.476 ( -4.138 -2.049 -0.447) 4.639 2.594 ( -3.840 -5.214 -2.612) 6.982 2.643 ( 4.650 0.303 1.273) 4.830 2.678 ( 2.077 -2.195 3.218) 4.414 2.908 ( -0.114 0.145 2.422) 2.429 2.921 ( 0.678 -2.374 -1.747) 3.024 2.982 ( -8.730 10.097 -1.673) 13.452 3.158 ( -0.960 3.928 -0.216) 4.050 3.193 ( -4.890 -6.347 -4.397) 9.139 3.206 ( -1.858 1.741 -3.151) 4.051 3.371 ( 2.908 4.515 2.114) 5.771 3.404 ( 1.004 3.377 -2.664) 4.417 3.656 ( 1.003 7.779 -0.099) 7.844 3.746 ( 1.046 4.611 2.596) 5.393 3.782 ( -0.496 -3.447 -6.375) 7.264 3.837 ( 0.131 -5.555 6.665) 8.677 3.989 ( 4.790 -3.835 2.718) 6.711 4.000 ( 1.779 -3.050 -0.237) 3.539 4.060 ( 0.279 6.248 0.901) 6.319 4.131 ( 1.098 -0.437 0.509) 1.287 4.287 ( 2.930 2.508 5.271) 6.532 4.335 ( -0.804 3.408 4.368) 5.598 4.350 ( 2.826 0.581 4.724) 5.535 4.362 ( 0.588 -2.911 3.489) 4.581 4.535 ( -0.522 0.215 0.924) 1.083 4.599 ( -1.173 -5.431 -0.167) 5.559 4.710 ( 0.808 1.304 -4.827) 5.065 4.774 ( 0.054 -3.216 -4.921) 5.879 5.159 ( 2.403 2.940 3.506) 5.169 5.238 ( 2.964 -3.920 0.642) 4.957 5.321 ( 2.155 0.490 2.030) 3.001 5.341 ( 2.738 -2.287 0.458) 3.597 5.402 ( 0.579 1.080 -3.153) 3.383 5.490 ( -0.102 -7.058 -1.432) 7.203 5.756 ( -2.688 2.380 -1.588) 3.926 5.820 ( -1.485 -3.176 1.446) 3.792 5.876 ( -1.775 1.716 -3.330) 4.145 5.951 ( -3.917 -5.064 -9.498) 11.454 6.178 ( -3.253 4.014 -11.316) 12.439 6.265 ( -1.974 -3.947 -11.966) 12.754 6.547 ( -0.575 5.925 9.068) 10.848 6.650 ( 2.604 -3.064 5.839) 7.089 6.684 ( 0.774 0.612 4.134) 4.250 6.741 ( 1.348 -3.823 11.250) 11.958 6.911 ( -1.447 3.161 2.245) 4.138 6.958 ( -1.062 -0.768 0.172) 1.322 7.075 ( -0.218 4.743 3.760) 6.057 7.174 ( -0.072 -3.955 -0.029) 3.955 7.283 ( 4.449 0.870 -1.996) 4.953 7.325 ( 1.974 -3.161 -2.557) 4.520 7.417 ( -1.636 3.603 -0.402) 3.977 7.490 ( -0.273 -2.988 0.578) 3.056 7.740 ( -1.337 1.845 -0.031) 2.278 7.771 ( 0.853 -0.213 -2.520) 2.669 7.790 ( 0.536 1.527 2.764) 3.203 7.833 ( 1.922 -2.528 -0.300) 3.190 7.899 ( 0.455 0.365 -1.736) 1.831 7.920 ( 0.823 -1.349 -1.656) 2.289 8.153 ( 1.939 2.784 -2.479) 4.202 8.170 ( -0.989 1.813 -2.620) 3.335 8.226 ( 0.979 0.457 1.349) 1.728 8.272 ( -0.626 -3.025 0.260) 3.100 8.341 ( -0.285 2.135 0.653) 2.251 8.387 ( -1.389 -2.038 -0.826) 2.601 8.526 ( 1.524 2.076 -0.339) 2.598 8.555 ( 1.246 -0.773 0.869) 1.704 8.639 ( -2.104 0.259 0.445) 2.166 8.659 ( -2.030 -1.723 -1.142) 2.897 9.120 ( 0.409 2.501 0.747) 2.642 9.137 ( 1.057 0.889 0.185) 1.393 9.217 ( -0.128 -0.580 0.535) 0.799 9.242 ( -0.291 -2.628 0.591) 2.710 13.388 ( -0.376 12.470 1.406) 12.555 13.512 ( 0.325 11.359 -2.065) 11.549 13.666 ( -0.239 -10.273 1.970) 10.463 13.799 ( 0.893 -12.166 -2.296) 12.413 16.987 ( -3.038 1.009 3.483) 4.731 16.995 ( -2.708 0.029 3.401) 4.347 17.164 ( -3.908 -0.425 6.949) 7.984 17.189 ( -4.382 -2.433 7.906) 9.361 17.305 ( -1.122 0.853 -6.394) 6.547 17.330 ( -1.592 -1.335 -6.679) 6.995 17.385 ( -3.983 -0.061 -6.804) 7.884 17.402 ( -3.269 -1.383 -6.224) 7.165 17.697 ( 3.591 1.913 7.987) 8.964 17.725 ( 3.394 -0.720 7.421) 8.192 17.927 ( 3.481 0.474 -4.362) 5.601 17.936 ( 3.942 -0.430 -4.807) 6.232 17.978 ( -0.214 0.568 -0.416) 0.736 18.011 ( -0.701 -2.178 1.286) 2.624 18.211 ( 0.018 1.491 -1.211) 1.921 18.226 ( 0.169 0.082 -0.084) 0.206 18.779 ( -1.234 0.430 0.792) 1.528 18.808 ( -2.705 -2.327 1.708) 3.956 18.932 ( 1.601 1.174 -0.789) 2.136 18.964 ( 0.075 -1.910 -1.191) 2.252 19.467 ( -1.184 1.416 6.670) 6.921 19.524 ( -2.393 -4.035 7.080) 8.493 19.785 ( 3.429 0.188 -6.718) 7.545 19.793 ( 3.285 -0.749 -7.396) 8.127 ======================= Grid point 144 (78/80) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.117 6.007 3.425) 6.916 1.560 ( 0.109 3.150 -5.145) 6.033 1.725 ( -5.464 -5.139 2.295) 7.844 1.829 ( 4.903 -8.556 -6.541) 11.834 2.213 ( 3.924 2.176 3.624) 5.767 2.255 ( -1.953 -2.532 0.623) 3.258 2.320 ( 2.878 4.717 5.024) 7.468 2.363 ( -3.209 2.787 1.041) 4.376 2.480 ( 0.741 5.527 4.175) 6.966 2.557 ( 0.802 -1.655 1.608) 2.443 2.636 ( -0.171 6.000 -8.495) 10.401 2.698 ( -1.022 -0.009 -8.695) 8.754 2.834 ( -1.037 -1.700 2.069) 2.872 2.863 ( -0.657 -3.067 -1.288) 3.391 2.960 ( 3.509 -3.925 4.132) 6.692 3.038 ( -4.728 -7.610 -3.130) 9.490 3.133 ( -3.468 7.295 3.336) 8.739 3.167 ( -0.712 3.202 -0.718) 3.358 3.433 ( 3.070 4.331 -1.577) 5.538 3.443 ( 1.544 2.140 -2.101) 3.373 3.665 ( 0.912 2.839 0.206) 2.989 3.709 ( -1.236 0.381 -4.487) 4.670 3.820 ( -0.794 1.276 4.923) 5.147 3.866 ( 0.975 -1.724 0.397) 2.020 4.033 ( -0.430 2.531 1.493) 2.970 4.068 ( 2.778 0.605 -1.812) 3.372 4.084 ( -1.399 -0.390 5.260) 5.457 4.145 ( 0.903 -3.122 -1.307) 3.503 4.330 ( -2.192 3.220 6.012) 7.164 4.372 ( -0.789 2.341 2.056) 3.214 4.420 ( -3.815 0.219 6.010) 7.122 4.435 ( 1.615 2.444 4.937) 5.741 4.554 ( 2.514 -0.511 -1.624) 3.037 4.584 ( 2.237 -5.838 -2.848) 6.870 4.679 ( 0.542 -0.428 -2.805) 2.888 4.708 ( -1.064 -2.170 -5.032) 5.583 5.234 ( 1.218 1.560 4.036) 4.495 5.280 ( -0.246 -2.607 0.669) 2.703 5.337 ( -1.404 0.338 -1.283) 1.932 5.350 ( -0.633 -1.388 -0.313) 1.557 5.426 ( 2.244 -1.450 -0.165) 2.677 5.456 ( -0.980 -4.034 -2.936) 5.085 5.711 ( 0.839 0.904 -0.381) 1.291 5.758 ( -1.266 -2.915 -4.107) 5.193 5.887 ( 0.533 -0.353 2.752) 2.825 5.921 ( 1.909 -2.910 5.635) 6.623 6.016 ( -1.866 2.279 -9.265) 9.722 6.084 ( -3.850 -3.974 -11.124) 12.424 6.635 ( 2.459 2.496 3.622) 5.039 6.670 ( -0.323 -0.920 -0.981) 1.383 6.760 ( -0.976 3.569 8.735) 9.486 6.847 ( -1.238 -3.634 8.801) 9.602 6.912 ( 1.798 2.677 -4.438) 5.486 6.952 ( 2.151 -0.416 -1.776) 2.820 7.119 ( 0.274 2.561 3.699) 4.507 7.159 ( -0.643 -1.178 -0.465) 1.420 7.322 ( -1.401 1.222 -0.127) 1.863 7.344 ( 1.654 -0.672 -2.356) 2.956 7.414 ( 3.669 -0.544 0.318) 3.722 7.449 ( -1.946 -3.006 -2.649) 4.454 7.740 ( -0.842 1.354 2.043) 2.591 7.768 ( 0.146 -1.232 -0.548) 1.357 7.805 ( -2.168 2.520 2.919) 4.424 7.855 ( -0.353 -2.569 -0.025) 2.593 7.898 ( 1.083 1.634 -1.738) 2.620 7.924 ( 1.643 -1.116 -2.578) 3.255 8.131 ( -0.649 0.872 -1.403) 1.775 8.134 ( -1.286 0.709 -1.590) 2.164 8.265 ( 1.395 0.908 2.268) 2.814 8.291 ( 1.761 -1.181 1.172) 2.422 8.310 ( -1.698 1.441 -1.170) 2.516 8.331 ( -1.627 -0.981 -2.369) 3.037 8.560 ( -0.780 0.556 1.693) 1.945 8.572 ( -0.776 -0.306 0.461) 0.953 8.616 ( -0.134 0.142 -0.149) 0.245 8.629 ( 1.754 -1.024 -1.379) 2.454 9.133 ( 0.028 1.838 0.826) 2.016 9.151 ( 0.638 0.463 -0.874) 1.177 9.225 ( -0.163 -0.680 1.167) 1.360 9.238 ( 0.003 -1.683 -0.106) 1.686 13.419 ( 1.114 12.624 2.687) 12.955 13.477 ( -0.913 12.639 -3.219) 13.074 13.700 ( 0.605 -11.623 3.339) 12.108 13.767 ( -0.807 -12.375 -3.463) 12.876 17.036 ( 3.206 0.449 6.127) 6.929 17.044 ( 2.611 -0.524 5.772) 6.357 17.146 ( -4.494 0.518 1.273) 4.700 17.162 ( -4.342 -0.449 -1.243) 4.538 17.182 ( -2.386 -0.111 -0.744) 2.501 17.201 ( -3.056 -2.142 2.769) 4.647 17.335 ( 3.218 -0.271 -7.696) 8.346 17.358 ( 3.387 -2.195 -7.625) 8.628 17.798 ( -0.905 0.736 6.923) 7.021 17.817 ( -1.378 -1.048 6.677) 6.898 17.941 ( 2.535 0.429 -6.599) 7.082 17.952 ( 2.872 -0.739 -6.056) 6.743 18.002 ( 2.178 1.865 2.006) 3.499 18.021 ( -0.303 0.136 0.258) 0.421 18.189 ( -0.221 0.613 -0.553) 0.855 18.197 ( -1.744 -0.046 -1.046) 2.034 18.780 ( -0.388 -0.933 1.117) 1.506 18.783 ( -0.421 -1.140 0.854) 1.486 18.948 ( -0.566 -0.081 -0.651) 0.866 18.951 ( 1.053 -0.394 -0.868) 1.420 19.542 ( 0.219 0.262 8.933) 8.940 19.576 ( -1.373 -2.935 9.291) 9.840 19.720 ( -0.691 1.408 -9.016) 9.151 19.756 ( 0.888 -1.963 -8.800) 9.060 ======================= Grid point 145 (79/80) ======================= q-point: (-0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 6.610 3.776 2.859) 8.131 1.599 ( 8.924 9.618 -2.758) 13.407 1.721 ( 1.099 -2.740 5.273) 6.043 1.912 ( 6.932 -8.606 -1.746) 11.188 2.137 ( -4.734 4.938 -4.004) 7.926 2.241 ( -2.280 0.520 -1.192) 2.625 2.278 ( -6.073 6.269 -1.822) 8.916 2.423 ( 5.228 0.089 2.661) 5.867 2.517 ( -5.695 -6.563 -2.831) 9.138 2.565 ( 6.307 -4.643 -1.017) 7.898 2.609 ( 1.301 3.780 2.458) 4.693 2.707 ( 6.507 -2.408 -1.248) 7.049 2.874 ( 0.490 -0.466 1.848) 1.968 2.936 ( 4.555 -3.669 1.112) 5.954 2.967 ( 2.253 6.801 -0.257) 7.169 3.092 ( 0.272 0.456 4.531) 4.562 3.126 ( 1.447 4.502 4.087) 6.250 3.185 ( 3.254 0.859 1.038) 3.522 3.403 ( -0.471 2.506 -4.280) 4.982 3.437 ( -1.374 0.525 -3.426) 3.728 3.633 ( -1.951 3.762 0.577) 4.276 3.685 ( -1.770 -2.311 2.109) 3.595 3.779 ( -1.830 6.515 -0.063) 6.768 3.926 ( -1.072 -1.948 -0.755) 2.348 3.982 ( -2.427 0.831 0.090) 2.567 4.042 ( -2.771 -5.527 -1.775) 6.433 4.101 ( -0.557 1.649 -1.498) 2.296 4.151 ( 0.991 -0.250 -0.588) 1.179 4.319 ( -6.007 4.374 2.123) 7.728 4.344 ( -3.302 1.740 2.336) 4.403 4.368 ( -3.092 0.441 2.635) 4.086 4.431 ( -1.561 -1.636 -1.847) 2.920 4.578 ( 1.213 -0.471 -1.865) 2.274 4.618 ( -0.563 0.496 -2.504) 2.614 4.654 ( 3.441 -2.539 0.141) 4.279 4.718 ( 2.397 -3.913 0.021) 4.589 5.223 ( -3.604 0.491 -2.573) 4.455 5.246 ( -4.090 -1.880 0.067) 4.502 5.307 ( 0.766 2.878 3.291) 4.439 5.365 ( 0.311 -3.473 0.247) 3.495 5.382 ( -3.072 0.439 -2.995) 4.313 5.466 ( 1.809 -6.569 0.709) 6.850 5.722 ( 1.027 0.929 -0.694) 1.549 5.768 ( 2.610 -3.455 3.306) 5.448 5.910 ( -3.160 1.793 -1.455) 3.913 5.923 ( -0.053 -1.080 -5.301) 5.410 6.002 ( 3.424 -1.088 4.095) 5.448 6.047 ( 2.316 -3.796 9.444) 10.439 6.654 ( 1.007 1.869 -3.089) 3.748 6.693 ( 1.291 -1.865 -0.969) 2.467 6.797 ( -1.453 4.407 1.239) 4.803 6.874 ( -0.607 -2.744 1.397) 3.138 6.905 ( 2.664 4.081 -3.562) 6.036 6.981 ( 2.497 -2.556 -3.690) 5.136 7.141 ( -1.483 2.672 1.431) 3.374 7.154 ( 1.323 2.705 -1.348) 3.299 7.260 ( -3.360 -0.110 0.771) 3.449 7.331 ( -1.414 -5.288 -2.774) 6.137 7.422 ( 2.434 3.478 -1.650) 4.554 7.494 ( 2.823 -3.106 -0.024) 4.197 7.723 ( -3.281 1.820 2.853) 4.713 7.752 ( -0.746 0.059 -1.154) 1.376 7.783 ( -2.822 -1.042 3.502) 4.616 7.820 ( -2.246 -2.730 -0.004) 3.535 7.894 ( 0.183 2.244 -1.570) 2.745 7.930 ( 1.322 -0.736 -1.889) 2.421 8.096 ( -2.362 1.649 2.046) 3.533 8.125 ( -0.788 -0.200 2.206) 2.351 8.257 ( -1.186 1.090 -1.605) 2.274 8.285 ( -0.030 -1.921 -1.284) 2.311 8.335 ( 1.836 1.726 1.113) 2.755 8.365 ( 3.048 -0.976 1.460) 3.518 8.519 ( -2.652 1.236 0.319) 2.944 8.549 ( -2.021 -1.727 1.249) 2.937 8.651 ( 2.357 0.505 -0.097) 2.413 8.659 ( 2.312 -0.321 -1.400) 2.722 9.133 ( -0.436 1.387 -0.022) 1.454 9.146 ( 0.022 0.312 -1.269) 1.307 9.223 ( -0.443 0.187 0.242) 0.538 9.248 ( 0.578 -1.877 -0.062) 1.965 13.429 ( -0.527 13.012 -2.670) 13.294 13.469 ( 0.964 11.697 2.299) 11.960 13.706 ( -1.249 -11.025 -1.485) 11.195 13.751 ( 0.287 -12.682 1.902) 12.827 17.066 ( 0.922 2.540 -3.352) 4.305 17.085 ( 1.623 1.086 -5.372) 5.716 17.170 ( -1.985 -1.414 5.622) 6.127 17.174 ( -1.158 -1.234 6.777) 6.985 17.234 ( 6.149 -0.297 6.972) 9.301 17.255 ( 6.816 -1.390 6.600) 9.589 17.336 ( 4.514 -0.797 -5.861) 7.440 17.349 ( 3.632 -2.285 -7.501) 8.642 17.814 ( -3.894 0.462 6.003) 7.170 17.826 ( -3.704 -0.581 4.725) 6.032 17.874 ( -2.010 1.222 -7.785) 8.133 17.893 ( -1.552 -0.463 -8.926) 9.072 18.005 ( 1.042 1.462 -2.125) 2.782 18.039 ( 0.924 -1.381 -1.194) 2.046 18.182 ( 0.266 1.925 1.642) 2.544 18.212 ( 0.822 -0.822 1.295) 1.741 18.781 ( 0.539 0.785 0.684) 1.172 18.818 ( 2.033 -2.519 0.924) 3.366 18.926 ( -1.012 1.198 -0.330) 1.603 18.959 ( 0.538 -1.971 -0.785) 2.188 19.603 ( -1.722 1.829 -3.194) 4.064 19.630 ( -2.281 -1.493 5.951) 6.546 19.633 ( -1.745 -0.529 6.094) 6.361 19.677 ( 0.479 -3.405 -6.760) 7.584 ======================= Grid point 146 (80/80) ======================= q-point: (-0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 5.155 11.076 5.044) 13.217 1.788 ( 9.316 7.745 -2.459) 12.362 1.869 ( 10.155 4.572 5.346) 12.354 2.012 ( 2.740 4.877 3.706) 6.711 2.054 ( -8.817 13.558 -2.388) 16.348 2.128 ( 4.183 -7.863 2.338) 9.208 2.269 ( -1.057 -9.906 0.949) 10.008 2.383 ( 1.464 -15.812 -7.132) 17.408 2.538 ( -0.598 1.605 -1.192) 2.087 2.603 ( -0.526 -0.220 -0.841) 1.016 2.674 ( -1.612 0.341 -5.561) 5.800 2.733 ( 4.442 -5.190 0.551) 6.853 2.892 ( -0.122 3.185 -3.028) 4.397 2.968 ( 2.817 -3.286 -4.532) 6.267 3.036 ( -0.724 8.643 7.679) 11.585 3.129 ( -0.109 2.754 3.695) 4.610 3.188 ( 2.954 4.380 1.118) 5.400 3.271 ( 0.513 -2.215 -0.084) 2.276 3.369 ( 1.595 3.495 0.577) 3.885 3.402 ( 0.526 2.243 -2.488) 3.391 3.604 ( -2.637 8.032 2.235) 8.744 3.720 ( 0.046 2.643 4.473) 5.196 3.771 ( 0.196 3.133 1.248) 3.379 3.821 ( -4.551 -3.434 -1.426) 5.877 3.888 ( -4.761 -5.513 1.683) 7.476 4.004 ( -0.727 -8.280 -2.493) 8.678 4.082 ( 1.022 1.435 -3.059) 3.530 4.144 ( -0.279 -2.134 -2.480) 3.283 4.221 ( -3.419 4.162 -1.222) 5.523 4.281 ( -4.639 -0.996 -2.233) 5.243 4.320 ( -1.557 3.954 2.089) 4.735 4.413 ( 0.283 -3.744 -1.844) 4.183 4.571 ( -1.856 3.328 2.681) 4.659 4.612 ( 2.215 2.964 -3.225) 4.908 4.703 ( 1.142 -4.628 1.335) 4.950 4.751 ( 1.069 -5.143 -0.720) 5.302 5.135 ( -2.124 1.449 -1.847) 3.166 5.186 ( -1.583 -3.242 0.413) 3.632 5.282 ( -3.699 3.864 -3.032) 6.149 5.323 ( -0.742 -1.807 -2.487) 3.163 5.388 ( 1.777 -0.499 2.353) 2.991 5.491 ( 0.104 -8.518 -0.149) 8.519 5.782 ( -0.165 -0.197 1.778) 1.797 5.798 ( -0.347 -1.194 0.930) 1.552 5.927 ( 5.165 0.719 4.055) 6.605 5.967 ( 5.060 -2.252 7.452) 9.285 6.124 ( 1.115 1.419 9.516) 9.686 6.190 ( 1.589 -3.971 11.044) 11.843 6.613 ( -2.300 1.093 -5.271) 5.854 6.642 ( -3.105 -1.645 -5.451) 6.486 6.732 ( 0.170 5.864 -10.028) 11.618 6.851 ( 1.687 -5.034 -9.589) 10.960 6.939 ( 0.524 2.778 2.231) 3.601 6.975 ( 0.649 -0.218 -1.024) 1.231 7.107 ( -1.650 3.457 -0.222) 3.837 7.152 ( -0.047 2.025 -3.363) 3.926 7.217 ( -0.611 0.303 0.307) 0.748 7.302 ( -0.547 -4.987 -1.025) 5.121 7.453 ( 1.329 1.897 -0.392) 2.349 7.495 ( -0.903 -1.618 -1.916) 2.665 7.689 ( -3.207 2.285 3.911) 5.549 7.741 ( -2.584 -2.504 2.686) 4.490 7.786 ( 2.689 0.859 0.875) 2.955 7.819 ( 1.440 -1.750 0.063) 2.267 7.894 ( 1.203 1.758 0.777) 2.268 7.944 ( 2.054 -2.041 -0.449) 2.930 8.067 ( -3.953 3.301 2.876) 5.899 8.138 ( -2.029 -2.151 4.115) 5.067 8.220 ( -0.761 2.293 -1.535) 2.862 8.285 ( 1.016 -3.188 -0.411) 3.371 8.346 ( -0.376 2.355 -1.561) 2.850 8.398 ( -0.621 -2.377 -0.699) 2.555 8.504 ( 0.527 2.479 1.428) 2.909 8.539 ( -0.410 -0.895 1.034) 1.428 8.682 ( 0.866 0.140 0.402) 0.965 8.691 ( 2.013 -0.567 -0.905) 2.279 9.121 ( -0.308 1.700 -0.696) 1.862 9.128 ( -0.422 0.870 -1.355) 1.664 9.220 ( 0.010 0.101 0.063) 0.119 9.250 ( -0.033 -2.374 -0.615) 2.453 13.416 ( 1.278 12.620 -0.977) 12.722 13.489 ( -0.639 10.635 0.759) 10.681 13.687 ( 0.614 -10.441 -0.513) 10.471 13.756 ( -1.633 -11.958 1.273) 12.136 17.092 ( 3.902 3.003 -1.666) 5.198 17.111 ( 4.620 1.576 -2.776) 5.615 17.167 ( -3.080 1.065 5.192) 6.130 17.215 ( -0.650 -1.415 7.118) 7.286 17.305 ( 1.301 -1.420 -5.333) 5.670 17.342 ( 3.366 -3.433 -4.325) 6.466 17.469 ( 4.911 0.652 4.445) 6.656 17.494 ( 7.129 -1.777 4.330) 8.528 17.706 ( -2.789 3.908 -6.827) 8.346 17.755 ( 0.626 -0.049 -9.278) 9.300 17.788 ( -5.528 -0.642 5.302) 7.687 17.812 ( -3.652 -2.275 2.511) 4.981 18.021 ( 2.657 0.681 -1.787) 3.274 18.051 ( 2.021 -2.000 -1.130) 3.060 18.193 ( -1.154 1.442 0.514) 1.917 18.210 ( -1.645 -0.224 -0.642) 1.780 18.811 ( 1.684 2.062 0.499) 2.709 18.862 ( 1.143 -1.769 0.549) 2.176 18.905 ( -0.502 0.370 -0.234) 0.666 18.953 ( -0.324 -3.232 -1.002) 3.399 19.551 ( 1.766 2.793 -3.930) 5.135 19.607 ( -2.675 -2.265 1.440) 3.789 19.637 ( -2.629 -0.857 3.779) 4.683 19.669 ( -1.590 -3.556 2.519) 4.638 =================== 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 3/29160 10.0 768.032 603.594 781.192 0.000 -139.052 0.000 3/29160 20.0 122.524 109.080 118.001 0.000 -17.017 0.000 3/29160 30.0 43.846 41.176 42.387 0.000 -5.089 0.000 3/29160 40.0 23.213 22.373 22.474 0.000 -2.418 0.000 3/29160 50.0 15.000 14.689 14.567 0.000 -1.457 0.000 3/29160 60.0 10.855 10.746 10.589 0.000 -1.000 0.000 3/29160 70.0 8.434 8.416 8.269 0.000 -0.743 0.000 3/29160 80.0 6.873 6.902 6.775 0.000 -0.583 0.000 3/29160 90.0 5.795 5.850 5.740 0.000 -0.475 0.000 3/29160 100.0 5.010 5.081 4.985 0.000 -0.399 0.000 3/29160 110.0 4.414 4.495 4.410 0.000 -0.342 0.000 3/29160 120.0 3.947 4.036 3.959 0.000 -0.299 0.000 3/29160 130.0 3.573 3.666 3.594 0.000 -0.266 0.000 3/29160 140.0 3.265 3.361 3.294 0.000 -0.239 0.000 3/29160 150.0 3.008 3.106 3.043 0.000 -0.217 0.000 3/29160 160.0 2.790 2.889 2.828 0.000 -0.199 0.000 3/29160 170.0 2.602 2.702 2.644 0.000 -0.184 0.000 3/29160 180.0 2.440 2.539 2.483 0.000 -0.171 0.000 3/29160 190.0 2.297 2.396 2.341 0.000 -0.160 0.000 3/29160 200.0 2.170 2.269 2.216 0.000 -0.150 0.000 3/29160 210.0 2.058 2.155 2.103 0.000 -0.141 0.000 3/29160 220.0 1.957 2.052 2.002 0.000 -0.134 0.000 3/29160 230.0 1.865 1.960 1.911 0.000 -0.127 0.000 3/29160 240.0 1.783 1.875 1.828 0.000 -0.121 0.000 3/29160 250.0 1.707 1.798 1.752 0.000 -0.115 0.000 3/29160 260.0 1.638 1.727 1.682 0.000 -0.110 0.000 3/29160 270.0 1.574 1.662 1.618 0.000 -0.106 0.000 3/29160 280.0 1.516 1.601 1.559 0.000 -0.102 0.000 3/29160 290.0 1.461 1.545 1.504 0.000 -0.098 0.000 3/29160 300.0 1.411 1.493 1.453 0.000 -0.094 0.000 3/29160 310.0 1.364 1.444 1.405 0.000 -0.091 0.000 3/29160 320.0 1.320 1.399 1.361 0.000 -0.088 0.000 3/29160 330.0 1.279 1.356 1.319 0.000 -0.085 0.000 3/29160 340.0 1.240 1.316 1.279 0.000 -0.082 0.000 3/29160 350.0 1.204 1.278 1.242 0.000 -0.080 0.000 3/29160 360.0 1.169 1.242 1.208 0.000 -0.078 0.000 3/29160 370.0 1.137 1.208 1.175 0.000 -0.075 0.000 3/29160 380.0 1.107 1.176 1.143 0.000 -0.073 0.000 3/29160 390.0 1.078 1.146 1.114 0.000 -0.071 0.000 3/29160 400.0 1.050 1.117 1.086 0.000 -0.070 0.000 3/29160 410.0 1.024 1.090 1.059 0.000 -0.068 0.000 3/29160 420.0 1.000 1.064 1.034 0.000 -0.066 0.000 3/29160 430.0 0.976 1.039 1.010 0.000 -0.065 0.000 3/29160 440.0 0.954 1.016 0.987 0.000 -0.063 0.000 3/29160 450.0 0.932 0.993 0.965 0.000 -0.062 0.000 3/29160 460.0 0.912 0.971 0.944 0.000 -0.060 0.000 3/29160 470.0 0.892 0.951 0.923 0.000 -0.059 0.000 3/29160 480.0 0.873 0.931 0.904 0.000 -0.058 0.000 3/29160 490.0 0.855 0.912 0.886 0.000 -0.056 0.000 3/29160 500.0 0.838 0.894 0.868 0.000 -0.055 0.000 3/29160 510.0 0.821 0.876 0.851 0.000 -0.054 0.000 3/29160 520.0 0.805 0.859 0.834 0.000 -0.053 0.000 3/29160 530.0 0.790 0.843 0.819 0.000 -0.052 0.000 3/29160 540.0 0.775 0.827 0.804 0.000 -0.051 0.000 3/29160 550.0 0.761 0.812 0.789 0.000 -0.050 0.000 3/29160 560.0 0.747 0.798 0.775 0.000 -0.049 0.000 3/29160 570.0 0.734 0.784 0.761 0.000 -0.048 0.000 3/29160 580.0 0.722 0.770 0.748 0.000 -0.047 0.000 3/29160 590.0 0.709 0.757 0.735 0.000 -0.047 0.000 3/29160 600.0 0.697 0.745 0.723 0.000 -0.046 0.000 3/29160 610.0 0.686 0.733 0.711 0.000 -0.045 0.000 3/29160 620.0 0.675 0.721 0.700 0.000 -0.044 0.000 3/29160 630.0 0.664 0.709 0.689 0.000 -0.044 0.000 3/29160 640.0 0.654 0.698 0.678 0.000 -0.043 0.000 3/29160 650.0 0.643 0.687 0.667 0.000 -0.042 0.000 3/29160 660.0 0.634 0.677 0.657 0.000 -0.042 0.000 3/29160 670.0 0.624 0.667 0.648 0.000 -0.041 0.000 3/29160 680.0 0.615 0.657 0.638 0.000 -0.040 0.000 3/29160 690.0 0.606 0.648 0.629 0.000 -0.040 0.000 3/29160 700.0 0.597 0.638 0.620 0.000 -0.039 0.000 3/29160 710.0 0.589 0.629 0.611 0.000 -0.039 0.000 3/29160 720.0 0.581 0.621 0.603 0.000 -0.038 0.000 3/29160 730.0 0.573 0.612 0.594 0.000 -0.038 0.000 3/29160 740.0 0.565 0.604 0.586 0.000 -0.037 0.000 3/29160 750.0 0.557 0.596 0.578 0.000 -0.037 0.000 3/29160 760.0 0.550 0.588 0.571 0.000 -0.036 0.000 3/29160 770.0 0.543 0.580 0.563 0.000 -0.036 0.000 3/29160 780.0 0.536 0.573 0.556 0.000 -0.035 0.000 3/29160 790.0 0.529 0.566 0.549 0.000 -0.035 0.000 3/29160 800.0 0.522 0.559 0.542 0.000 -0.034 0.000 3/29160 810.0 0.516 0.552 0.536 0.000 -0.034 0.000 3/29160 820.0 0.510 0.545 0.529 0.000 -0.033 0.000 3/29160 830.0 0.503 0.538 0.523 0.000 -0.033 0.000 3/29160 840.0 0.497 0.532 0.516 0.000 -0.033 0.000 3/29160 850.0 0.492 0.526 0.510 0.000 -0.032 0.000 3/29160 860.0 0.486 0.520 0.504 0.000 -0.032 0.000 3/29160 870.0 0.480 0.514 0.499 0.000 -0.032 0.000 3/29160 880.0 0.475 0.508 0.493 0.000 -0.031 0.000 3/29160 890.0 0.469 0.502 0.487 0.000 -0.031 0.000 3/29160 900.0 0.464 0.497 0.482 0.000 -0.030 0.000 3/29160 910.0 0.459 0.491 0.477 0.000 -0.030 0.000 3/29160 920.0 0.454 0.486 0.472 0.000 -0.030 0.000 3/29160 930.0 0.449 0.481 0.467 0.000 -0.029 0.000 3/29160 940.0 0.444 0.476 0.462 0.000 -0.029 0.000 3/29160 950.0 0.440 0.471 0.457 0.000 -0.029 0.000 3/29160 960.0 0.435 0.466 0.452 0.000 -0.029 0.000 3/29160 970.0 0.431 0.461 0.447 0.000 -0.028 0.000 3/29160 980.0 0.426 0.456 0.443 0.000 -0.028 0.000 3/29160 990.0 0.422 0.452 0.438 0.000 -0.028 0.000 3/29160 1000.0 0.418 0.447 0.434 0.000 -0.027 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:47:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|