----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:36:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] 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 7.227661726267240 0.000000000000000 0.000000000000000 b 0.000000000000000 17.735266490000001 0.000000000000000 c -2.647813162307510 0.000000000000000 6.704659669822616 Atomic positions (fractional): *1 Ca 0.74459064833953 0.94151271674347 0.98763409934965 40.078 2 Ca 0.25540935166048 0.44151271674347 0.51236590065035 40.078 3 Ca 0.25540935166048 0.05848728325653 0.01236590065035 40.078 4 Ca 0.74459064833953 0.55848728325653 0.48763409934965 40.078 *5 Ca 0.26330725904159 0.93736652081749 0.50126240862629 40.078 6 Ca 0.73669274095841 0.43736652081749 0.99873759137371 40.078 7 Ca 0.73669274095841 0.06263347918251 0.49873759137371 40.078 8 Ca 0.26330725904159 0.56263347918251 0.00126240862629 40.078 *9 Ca 0.78241634679590 0.81681122014278 0.48730955741302 40.078 10 Ca 0.21758365320410 0.31681122014278 0.01269044258699 40.078 11 Ca 0.21758365320410 0.18318877985722 0.51269044258699 40.078 12 Ca 0.78241634679590 0.68318877985722 0.98730955741301 40.078 *13 Ge 0.31903714332711 0.74123785000350 0.41979748342347 72.640 14 Ge 0.68096285667289 0.24123785000350 0.08020251657653 72.640 15 Ge 0.68096285667289 0.25876214999650 0.58020251657653 72.640 16 Ge 0.31903714332711 0.75876214999650 0.91979748342347 72.640 *17 Ge 0.79141478720835 0.37390347781123 0.46892501567427 72.640 18 Ge 0.20858521279166 0.87390347781123 0.03107498432573 72.640 19 Ge 0.20858521279166 0.62609652218877 0.53107498432573 72.640 20 Ge 0.79141478720835 0.12609652218877 0.96892501567427 72.640 *21 As 0.51888409222853 0.80558969545396 0.73231242326131 74.922 22 As 0.48111590777147 0.30558969545396 0.76768757673869 74.922 23 As 0.48111590777147 0.19441030454604 0.26768757673868 74.922 24 As 0.51888409222853 0.69441030454604 0.23231242326131 74.922 *25 As 0.02484173481475 0.68632046158912 0.72241798390045 74.922 26 As 0.97515826518525 0.18632046158912 0.77758201609955 74.922 27 As 0.97515826518525 0.31367953841087 0.27758201609955 74.922 28 As 0.02484173481475 0.81367953841088 0.22241798390046 74.922 *29 As 0.00085737040689 0.94204513341794 0.74163139729788 74.922 30 As 0.99914262959311 0.44204513341794 0.75836860270212 74.922 31 As 0.99914262959311 0.05795486658206 0.25836860270212 74.922 32 As 0.00085737040689 0.55795486658206 0.24163139729788 74.922 *33 As 0.50881723291060 0.93466969477636 0.24903584283419 74.922 34 As 0.49118276708940 0.43466969477636 0.25096415716581 74.922 35 As 0.49118276708940 0.06533030522364 0.75096415716581 74.922 36 As 0.50881723291060 0.56533030522364 0.74903584283419 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.227661726267240 0.000000000000000 0.000000000000000 b 0.000000000000000 17.735266490000001 0.000000000000000 c -2.647813162307510 0.000000000000000 6.704659669822616 Atomic positions (fractional): *1 Ca 0.74459064833953 0.94151271674347 0.98763409934965 40.078 > 1 2 Ca 0.25540935166048 0.44151271674347 0.51236590065035 40.078 > 2 3 Ca 0.25540935166048 0.05848728325653 0.01236590065035 40.078 > 3 4 Ca 0.74459064833953 0.55848728325653 0.48763409934965 40.078 > 4 *5 Ca 0.26330725904159 0.93736652081749 0.50126240862629 40.078 > 5 6 Ca 0.73669274095841 0.43736652081749 0.99873759137371 40.078 > 6 7 Ca 0.73669274095841 0.06263347918251 0.49873759137371 40.078 > 7 8 Ca 0.26330725904159 0.56263347918251 0.00126240862629 40.078 > 8 *9 Ca 0.78241634679590 0.81681122014278 0.48730955741302 40.078 > 9 10 Ca 0.21758365320410 0.31681122014278 0.01269044258699 40.078 > 10 11 Ca 0.21758365320410 0.18318877985722 0.51269044258699 40.078 > 11 12 Ca 0.78241634679590 0.68318877985722 0.98730955741301 40.078 > 12 *13 Ge 0.31903714332711 0.74123785000350 0.41979748342347 72.640 > 13 14 Ge 0.68096285667289 0.24123785000350 0.08020251657653 72.640 > 14 15 Ge 0.68096285667289 0.25876214999650 0.58020251657653 72.640 > 15 16 Ge 0.31903714332711 0.75876214999650 0.91979748342347 72.640 > 16 *17 Ge 0.79141478720835 0.37390347781123 0.46892501567427 72.640 > 17 18 Ge 0.20858521279166 0.87390347781123 0.03107498432573 72.640 > 18 19 Ge 0.20858521279166 0.62609652218877 0.53107498432573 72.640 > 19 20 Ge 0.79141478720835 0.12609652218877 0.96892501567427 72.640 > 20 *21 As 0.51888409222853 0.80558969545396 0.73231242326131 74.922 > 21 22 As 0.48111590777147 0.30558969545396 0.76768757673869 74.922 > 22 23 As 0.48111590777147 0.19441030454604 0.26768757673868 74.922 > 23 24 As 0.51888409222853 0.69441030454604 0.23231242326131 74.922 > 24 *25 As 0.02484173481475 0.68632046158912 0.72241798390045 74.922 > 25 26 As 0.97515826518525 0.18632046158912 0.77758201609955 74.922 > 26 27 As 0.97515826518525 0.31367953841087 0.27758201609955 74.922 > 27 28 As 0.02484173481475 0.81367953841088 0.22241798390046 74.922 > 28 *29 As 0.00085737040689 0.94204513341794 0.74163139729788 74.922 > 29 30 As 0.99914262959311 0.44204513341794 0.75836860270212 74.922 > 30 31 As 0.99914262959311 0.05795486658206 0.25836860270212 74.922 > 31 32 As 0.00085737040689 0.55795486658206 0.24163139729788 74.922 > 32 *33 As 0.50881723291060 0.93466969477636 0.24903584283419 74.922 > 33 34 As 0.49118276708940 0.43466969477636 0.25096415716581 74.922 > 34 35 As 0.49118276708940 0.06533030522364 0.75096415716581 74.922 > 35 36 As 0.50881723291060 0.56533030522364 0.74903584283419 74.922 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.455323452534479 0.000000000000000 0.000000000000000 b 0.000000000000000 17.735266490000001 0.000000000000000 c -5.295626324615020 0.000000000000000 13.409319339645233 Atomic positions (fractional): *1 Ca 0.37229532416976 0.94151271674347 0.49381704967482 40.078 > 1 2 Ca 0.87229532416976 0.94151271674347 0.49381704967482 40.078 > 1 3 Ca 0.37229532416976 0.94151271674347 0.99381704967482 40.078 > 1 4 Ca 0.87229532416976 0.94151271674347 0.99381704967482 40.078 > 1 5 Ca 0.12770467583024 0.44151271674347 0.25618295032518 40.078 > 2 6 Ca 0.62770467583024 0.44151271674347 0.25618295032518 40.078 > 2 7 Ca 0.12770467583024 0.44151271674347 0.75618295032518 40.078 > 2 8 Ca 0.62770467583024 0.44151271674347 0.75618295032518 40.078 > 2 9 Ca 0.12770467583024 0.05848728325653 0.00618295032518 40.078 > 3 10 Ca 0.62770467583024 0.05848728325653 0.00618295032518 40.078 > 3 11 Ca 0.12770467583024 0.05848728325653 0.50618295032518 40.078 > 3 12 Ca 0.62770467583024 0.05848728325653 0.50618295032518 40.078 > 3 13 Ca 0.37229532416976 0.55848728325653 0.24381704967482 40.078 > 4 14 Ca 0.87229532416976 0.55848728325653 0.24381704967482 40.078 > 4 15 Ca 0.37229532416976 0.55848728325653 0.74381704967482 40.078 > 4 16 Ca 0.87229532416976 0.55848728325653 0.74381704967482 40.078 > 4 *17 Ca 0.13165362952080 0.93736652081749 0.25063120431314 40.078 > 5 18 Ca 0.63165362952080 0.93736652081749 0.25063120431314 40.078 > 5 19 Ca 0.13165362952080 0.93736652081749 0.75063120431314 40.078 > 5 20 Ca 0.63165362952080 0.93736652081749 0.75063120431314 40.078 > 5 21 Ca 0.36834637047920 0.43736652081749 0.49936879568686 40.078 > 6 22 Ca 0.86834637047920 0.43736652081749 0.49936879568686 40.078 > 6 23 Ca 0.36834637047920 0.43736652081749 0.99936879568686 40.078 > 6 24 Ca 0.86834637047920 0.43736652081749 0.99936879568686 40.078 > 6 25 Ca 0.36834637047920 0.06263347918251 0.24936879568686 40.078 > 7 26 Ca 0.86834637047920 0.06263347918251 0.24936879568686 40.078 > 7 27 Ca 0.36834637047920 0.06263347918251 0.74936879568686 40.078 > 7 28 Ca 0.86834637047920 0.06263347918251 0.74936879568686 40.078 > 7 29 Ca 0.13165362952080 0.56263347918251 0.00063120431314 40.078 > 8 30 Ca 0.63165362952080 0.56263347918251 0.00063120431314 40.078 > 8 31 Ca 0.13165362952080 0.56263347918251 0.50063120431314 40.078 > 8 32 Ca 0.63165362952080 0.56263347918251 0.50063120431314 40.078 > 8 *33 Ca 0.39120817339795 0.81681122014278 0.24365477870651 40.078 > 9 34 Ca 0.89120817339795 0.81681122014278 0.24365477870651 40.078 > 9 35 Ca 0.39120817339795 0.81681122014278 0.74365477870651 40.078 > 9 36 Ca 0.89120817339795 0.81681122014278 0.74365477870651 40.078 > 9 37 Ca 0.10879182660205 0.31681122014278 0.00634522129349 40.078 > 10 38 Ca 0.60879182660205 0.31681122014278 0.00634522129349 40.078 > 10 39 Ca 0.10879182660205 0.31681122014278 0.50634522129349 40.078 > 10 40 Ca 0.60879182660205 0.31681122014278 0.50634522129349 40.078 > 10 41 Ca 0.10879182660205 0.18318877985722 0.25634522129349 40.078 > 11 42 Ca 0.60879182660205 0.18318877985722 0.25634522129349 40.078 > 11 43 Ca 0.10879182660205 0.18318877985722 0.75634522129349 40.078 > 11 44 Ca 0.60879182660205 0.18318877985722 0.75634522129349 40.078 > 11 45 Ca 0.39120817339795 0.68318877985722 0.49365477870651 40.078 > 12 46 Ca 0.89120817339795 0.68318877985722 0.49365477870651 40.078 > 12 47 Ca 0.39120817339795 0.68318877985722 0.99365477870651 40.078 > 12 48 Ca 0.89120817339795 0.68318877985722 0.99365477870651 40.078 > 12 *49 Ge 0.15951857166356 0.74123785000350 0.20989874171174 72.640 > 13 50 Ge 0.65951857166356 0.74123785000350 0.20989874171174 72.640 > 13 51 Ge 0.15951857166356 0.74123785000350 0.70989874171174 72.640 > 13 52 Ge 0.65951857166356 0.74123785000350 0.70989874171174 72.640 > 13 53 Ge 0.34048142833644 0.24123785000350 0.04010125828826 72.640 > 14 54 Ge 0.84048142833644 0.24123785000350 0.04010125828826 72.640 > 14 55 Ge 0.34048142833644 0.24123785000350 0.54010125828826 72.640 > 14 56 Ge 0.84048142833644 0.24123785000350 0.54010125828826 72.640 > 14 57 Ge 0.34048142833644 0.25876214999650 0.29010125828826 72.640 > 15 58 Ge 0.84048142833644 0.25876214999650 0.29010125828826 72.640 > 15 59 Ge 0.34048142833644 0.25876214999650 0.79010125828826 72.640 > 15 60 Ge 0.84048142833644 0.25876214999650 0.79010125828826 72.640 > 15 61 Ge 0.15951857166356 0.75876214999650 0.45989874171174 72.640 > 16 62 Ge 0.65951857166356 0.75876214999650 0.45989874171174 72.640 > 16 63 Ge 0.15951857166356 0.75876214999650 0.95989874171174 72.640 > 16 64 Ge 0.65951857166356 0.75876214999650 0.95989874171174 72.640 > 16 *65 Ge 0.39570739360417 0.37390347781123 0.23446250783714 72.640 > 17 66 Ge 0.89570739360417 0.37390347781123 0.23446250783714 72.640 > 17 67 Ge 0.39570739360417 0.37390347781123 0.73446250783714 72.640 > 17 68 Ge 0.89570739360417 0.37390347781123 0.73446250783714 72.640 > 17 69 Ge 0.10429260639583 0.87390347781123 0.01553749216286 72.640 > 18 70 Ge 0.60429260639583 0.87390347781123 0.01553749216286 72.640 > 18 71 Ge 0.10429260639583 0.87390347781123 0.51553749216286 72.640 > 18 72 Ge 0.60429260639583 0.87390347781123 0.51553749216286 72.640 > 18 73 Ge 0.10429260639583 0.62609652218877 0.26553749216286 72.640 > 19 74 Ge 0.60429260639583 0.62609652218877 0.26553749216286 72.640 > 19 75 Ge 0.10429260639583 0.62609652218877 0.76553749216286 72.640 > 19 76 Ge 0.60429260639583 0.62609652218877 0.76553749216286 72.640 > 19 77 Ge 0.39570739360417 0.12609652218877 0.48446250783714 72.640 > 20 78 Ge 0.89570739360417 0.12609652218877 0.48446250783714 72.640 > 20 79 Ge 0.39570739360417 0.12609652218877 0.98446250783714 72.640 > 20 80 Ge 0.89570739360417 0.12609652218877 0.98446250783714 72.640 > 20 *81 As 0.25944204611427 0.80558969545396 0.36615621163066 74.922 > 21 82 As 0.75944204611427 0.80558969545396 0.36615621163066 74.922 > 21 83 As 0.25944204611427 0.80558969545396 0.86615621163066 74.922 > 21 84 As 0.75944204611427 0.80558969545396 0.86615621163066 74.922 > 21 85 As 0.24055795388573 0.30558969545396 0.38384378836934 74.922 > 22 86 As 0.74055795388573 0.30558969545396 0.38384378836934 74.922 > 22 87 As 0.24055795388573 0.30558969545396 0.88384378836934 74.922 > 22 88 As 0.74055795388573 0.30558969545396 0.88384378836934 74.922 > 22 89 As 0.24055795388573 0.19441030454604 0.13384378836934 74.922 > 23 90 As 0.74055795388573 0.19441030454604 0.13384378836934 74.922 > 23 91 As 0.24055795388573 0.19441030454604 0.63384378836934 74.922 > 23 92 As 0.74055795388573 0.19441030454604 0.63384378836934 74.922 > 23 93 As 0.25944204611427 0.69441030454604 0.11615621163066 74.922 > 24 94 As 0.75944204611427 0.69441030454604 0.11615621163066 74.922 > 24 95 As 0.25944204611427 0.69441030454604 0.61615621163066 74.922 > 24 96 As 0.75944204611427 0.69441030454604 0.61615621163066 74.922 > 24 *97 As 0.01242086740738 0.68632046158912 0.36120899195023 74.922 > 25 98 As 0.51242086740738 0.68632046158912 0.36120899195023 74.922 > 25 99 As 0.01242086740738 0.68632046158912 0.86120899195023 74.922 > 25 100 As 0.51242086740738 0.68632046158912 0.86120899195023 74.922 > 25 101 As 0.48757913259262 0.18632046158912 0.38879100804977 74.922 > 26 102 As 0.98757913259262 0.18632046158912 0.38879100804977 74.922 > 26 103 As 0.48757913259262 0.18632046158912 0.88879100804977 74.922 > 26 104 As 0.98757913259262 0.18632046158912 0.88879100804977 74.922 > 26 105 As 0.48757913259262 0.31367953841087 0.13879100804977 74.922 > 27 106 As 0.98757913259262 0.31367953841087 0.13879100804977 74.922 > 27 107 As 0.48757913259262 0.31367953841087 0.63879100804977 74.922 > 27 108 As 0.98757913259262 0.31367953841087 0.63879100804977 74.922 > 27 109 As 0.01242086740738 0.81367953841088 0.11120899195023 74.922 > 28 110 As 0.51242086740738 0.81367953841088 0.11120899195023 74.922 > 28 111 As 0.01242086740738 0.81367953841088 0.61120899195023 74.922 > 28 112 As 0.51242086740738 0.81367953841088 0.61120899195023 74.922 > 28 *113 As 0.00042868520344 0.94204513341794 0.37081569864894 74.922 > 29 114 As 0.50042868520344 0.94204513341794 0.37081569864894 74.922 > 29 115 As 0.00042868520344 0.94204513341794 0.87081569864894 74.922 > 29 116 As 0.50042868520344 0.94204513341794 0.87081569864894 74.922 > 29 117 As 0.49957131479655 0.44204513341794 0.37918430135106 74.922 > 30 118 As 0.99957131479656 0.44204513341794 0.37918430135106 74.922 > 30 119 As 0.49957131479655 0.44204513341794 0.87918430135106 74.922 > 30 120 As 0.99957131479656 0.44204513341794 0.87918430135106 74.922 > 30 121 As 0.49957131479655 0.05795486658206 0.12918430135106 74.922 > 31 122 As 0.99957131479656 0.05795486658206 0.12918430135106 74.922 > 31 123 As 0.49957131479655 0.05795486658206 0.62918430135106 74.922 > 31 124 As 0.99957131479656 0.05795486658206 0.62918430135106 74.922 > 31 125 As 0.00042868520344 0.55795486658206 0.12081569864894 74.922 > 32 126 As 0.50042868520344 0.55795486658206 0.12081569864894 74.922 > 32 127 As 0.00042868520344 0.55795486658206 0.62081569864894 74.922 > 32 128 As 0.50042868520344 0.55795486658206 0.62081569864894 74.922 > 32 *129 As 0.25440861645530 0.93466969477636 0.12451792141710 74.922 > 33 130 As 0.75440861645530 0.93466969477636 0.12451792141710 74.922 > 33 131 As 0.25440861645530 0.93466969477636 0.62451792141710 74.922 > 33 132 As 0.75440861645530 0.93466969477636 0.62451792141710 74.922 > 33 133 As 0.24559138354470 0.43466969477636 0.12548207858290 74.922 > 34 134 As 0.74559138354470 0.43466969477636 0.12548207858290 74.922 > 34 135 As 0.24559138354470 0.43466969477636 0.62548207858290 74.922 > 34 136 As 0.74559138354470 0.43466969477636 0.62548207858290 74.922 > 34 137 As 0.24559138354470 0.06533030522364 0.37548207858290 74.922 > 35 138 As 0.74559138354470 0.06533030522364 0.37548207858290 74.922 > 35 139 As 0.24559138354470 0.06533030522364 0.87548207858290 74.922 > 35 140 As 0.74559138354470 0.06533030522364 0.87548207858290 74.922 > 35 141 As 0.25440861645530 0.56533030522364 0.37451792141710 74.922 > 36 142 As 0.75440861645530 0.56533030522364 0.37451792141710 74.922 > 36 143 As 0.25440861645530 0.56533030522364 0.87451792141710 74.922 > 36 144 As 0.75440861645530 0.56533030522364 0.87451792141710 74.922 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.9819099 0.0000000 0.8781583 0.0000000 12.6588430 0.0000000 0.8787756 0.0000000 15.5029012 -------------------------- Born effective charges -------------------------- 1 Ca 2.5569516 -0.2654068 0.1725857 -0.0931503 2.9090552 -0.1557890 0.3695190 0.2909627 1.8446839 2 Ca 2.5569516 0.2654068 0.1725857 0.0931503 2.9090552 0.1557890 0.3695190 -0.2909627 1.8446839 3 Ca 2.5569516 -0.2654068 0.1725857 -0.0931503 2.9090552 -0.1557890 0.3695190 0.2909627 1.8446839 4 Ca 2.5569516 0.2654068 0.1725857 0.0931503 2.9090552 0.1557890 0.3695190 -0.2909627 1.8446839 5 Ca 1.8928372 -0.1061621 0.0762637 -0.2864824 2.9499296 0.2268498 0.0604025 0.1998516 2.8333779 6 Ca 1.8928372 0.1061621 0.0762637 0.2864824 2.9499296 -0.2268498 0.0604025 -0.1998516 2.8333779 7 Ca 1.8928372 -0.1061621 0.0762637 -0.2864824 2.9499296 0.2268498 0.0604025 0.1998516 2.8333779 8 Ca 1.8928372 0.1061621 0.0762637 0.2864824 2.9499296 -0.2268498 0.0604025 -0.1998516 2.8333779 9 Ca 3.2806271 -0.2173543 -0.0947590 0.2627712 1.7160921 -0.1827225 -0.0841572 0.3063176 2.4726465 10 Ca 3.2806271 0.2173543 -0.0947590 -0.2627712 1.7160921 0.1827225 -0.0841572 -0.3063176 2.4726465 11 Ca 3.2806271 -0.2173543 -0.0947590 0.2627712 1.7160921 -0.1827225 -0.0841572 0.3063176 2.4726465 12 Ca 3.2806271 0.2173543 -0.0947590 -0.2627712 1.7160921 0.1827225 -0.0841572 -0.3063176 2.4726465 13 Ge 1.1569023 -0.1979638 -0.3521328 -0.3239000 1.1486307 -0.3060989 0.0041823 -0.0013415 2.9058926 14 Ge 1.1569023 0.1979638 -0.3521328 0.3239000 1.1486307 0.3060989 0.0041823 0.0013415 2.9058926 15 Ge 1.1569023 -0.1979638 -0.3521328 -0.3239000 1.1486307 -0.3060989 0.0041823 -0.0013415 2.9058926 16 Ge 1.1569023 0.1979638 -0.3521328 0.3239000 1.1486307 0.3060989 0.0041823 0.0013415 2.9058926 17 Ge 1.7259199 -0.1033559 0.6179978 -0.2014977 2.1953248 0.5281485 0.2582388 0.2312548 2.3890817 18 Ge 1.7259199 0.1033559 0.6179978 0.2014977 2.1953248 -0.5281485 0.2582388 -0.2312548 2.3890817 19 Ge 1.7259199 -0.1033559 0.6179978 -0.2014977 2.1953248 0.5281485 0.2582388 0.2312548 2.3890817 20 Ge 1.7259199 0.1033559 0.6179978 0.2014977 2.1953248 -0.5281485 0.2582388 -0.2312548 2.3890817 21 As -2.1868928 -0.4436841 0.1960650 -0.0879686 -2.0605974 -0.4331170 0.6408057 -0.3557545 -3.0061614 22 As -2.1868928 0.4436841 0.1960650 0.0879686 -2.0605974 0.4331170 0.6408057 0.3557545 -3.0061614 23 As -2.1868928 -0.4436841 0.1960650 -0.0879686 -2.0605974 -0.4331170 0.6408057 -0.3557545 -3.0061614 24 As -2.1868928 0.4436841 0.1960650 0.0879686 -2.0605974 0.4331170 0.6408057 0.3557545 -3.0061614 25 As -2.8038404 -0.3154695 0.3527919 -0.2695440 -2.4691984 -0.4858074 -0.0783983 -0.7255198 -2.9579132 26 As -2.8038404 0.3154695 0.3527919 0.2695440 -2.4691984 0.4858074 -0.0783983 0.7255198 -2.9579132 27 As -2.8038404 -0.3154695 0.3527919 -0.2695440 -2.4691984 -0.4858074 -0.0783983 -0.7255198 -2.9579132 28 As -2.8038404 0.3154695 0.3527919 0.2695440 -2.4691984 0.4858074 -0.0783983 0.7255198 -2.9579132 29 As -2.6737514 0.5574107 -0.5895307 0.2368252 -3.1190520 0.5685785 -0.4907431 0.5912949 -3.4083768 30 As -2.6737514 -0.5574107 -0.5895307 -0.2368252 -3.1190520 -0.5685785 -0.4907431 -0.5912949 -3.4083768 31 As -2.6737514 0.5574107 -0.5895307 0.2368252 -3.1190520 0.5685785 -0.4907431 0.5912949 -3.4083768 32 As -2.6737514 -0.5574107 -0.5895307 -0.2368252 -3.1190520 -0.5685785 -0.4907431 -0.5912949 -3.4083768 33 As -2.9487536 -0.3128925 -0.3792816 -0.1051471 -3.2701848 -0.4086101 -0.6798497 -0.6946813 -3.0732312 34 As -2.9487536 0.3128925 -0.3792816 0.1051471 -3.2701848 0.4086101 -0.6798497 0.6946813 -3.0732312 35 As -2.9487536 -0.3128925 -0.3792816 -0.1051471 -3.2701848 -0.4086101 -0.6798497 -0.6946813 -3.0732312 36 As -2.9487536 0.3128925 -0.3792816 0.1051471 -3.2701848 0.4086101 -0.6798497 0.6946813 -3.0732312 ---------------------------------------------------------------------------- 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) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 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) 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: 3 / 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) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 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) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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, 7), data: (500, 16) @ (16, 7) |-- (250, 243), 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, 7), data: (500, 16) @ (16, 7) |-- (250, 243), 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, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), 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: 1.822 Solver_block: 200 / 1120 - Time: 1.611 Solver_block: 300 / 1120 - Time: 1.616 Solver_block: 400 / 1120 - Time: 1.621 Solver_block: 500 / 1120 - Time: 1.615 Solver_block: 600 / 1120 - Time: 1.613 Solver_block: 700 / 1120 - Time: 1.614 Solver_block: 800 / 1120 - Time: 1.603 Solver_block: 900 / 1120 - Time: 1.604 Solver_block: 1000 / 1120 - Time: 1.611 Solver_block: 1100 / 1120 - Time: 1.616 Solver_block: 1120 / 1120 - Time: 0.492 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.947 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) 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) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 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) 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: 3 / 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) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 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) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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, 7), data: (500, 16) @ (16, 7) |-- (250, 243), 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, 7), data: (500, 16) @ (16, 7) |-- (250, 243), 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, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), 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 (yx) -0.00000000 (yx) 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 04:37:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:37:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.227661726267240 0.000000000000000 0.000000000000000 b 0.000000000000000 17.735266490000001 0.000000000000000 c -2.647813162307510 0.000000000000000 6.704659669822616 Atomic positions (fractional): 1 Ca 0.74459064833953 0.94151271674347 0.98763409934965 40.078 2 Ca 0.25540935166048 0.44151271674347 0.51236590065035 40.078 3 Ca 0.25540935166048 0.05848728325653 0.01236590065035 40.078 4 Ca 0.74459064833953 0.55848728325653 0.48763409934965 40.078 5 Ca 0.26330725904159 0.93736652081749 0.50126240862629 40.078 6 Ca 0.73669274095841 0.43736652081749 0.99873759137371 40.078 7 Ca 0.73669274095841 0.06263347918251 0.49873759137371 40.078 8 Ca 0.26330725904159 0.56263347918251 0.00126240862629 40.078 9 Ca 0.78241634679590 0.81681122014278 0.48730955741302 40.078 10 Ca 0.21758365320410 0.31681122014278 0.01269044258699 40.078 11 Ca 0.21758365320410 0.18318877985722 0.51269044258699 40.078 12 Ca 0.78241634679590 0.68318877985722 0.98730955741301 40.078 13 Ge 0.31903714332711 0.74123785000350 0.41979748342347 72.640 14 Ge 0.68096285667289 0.24123785000350 0.08020251657653 72.640 15 Ge 0.68096285667289 0.25876214999650 0.58020251657653 72.640 16 Ge 0.31903714332711 0.75876214999650 0.91979748342347 72.640 17 Ge 0.79141478720835 0.37390347781123 0.46892501567427 72.640 18 Ge 0.20858521279166 0.87390347781123 0.03107498432573 72.640 19 Ge 0.20858521279166 0.62609652218877 0.53107498432573 72.640 20 Ge 0.79141478720835 0.12609652218877 0.96892501567427 72.640 21 As 0.51888409222853 0.80558969545396 0.73231242326131 74.922 22 As 0.48111590777147 0.30558969545396 0.76768757673869 74.922 23 As 0.48111590777147 0.19441030454604 0.26768757673868 74.922 24 As 0.51888409222853 0.69441030454604 0.23231242326131 74.922 25 As 0.02484173481475 0.68632046158912 0.72241798390045 74.922 26 As 0.97515826518525 0.18632046158912 0.77758201609955 74.922 27 As 0.97515826518525 0.31367953841087 0.27758201609955 74.922 28 As 0.02484173481475 0.81367953841088 0.22241798390046 74.922 29 As 0.00085737040689 0.94204513341794 0.74163139729788 74.922 30 As 0.99914262959311 0.44204513341794 0.75836860270212 74.922 31 As 0.99914262959311 0.05795486658206 0.25836860270212 74.922 32 As 0.00085737040689 0.55795486658206 0.24163139729788 74.922 33 As 0.50881723291060 0.93466969477636 0.24903584283419 74.922 34 As 0.49118276708940 0.43466969477636 0.25096415716581 74.922 35 As 0.49118276708940 0.06533030522364 0.75096415716581 74.922 36 As 0.50881723291060 0.56533030522364 0.74903584283419 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.455323452534479 0.000000000000000 0.000000000000000 b 0.000000000000000 17.735266490000001 0.000000000000000 c -5.295626324615020 0.000000000000000 13.409319339645233 Atomic positions (fractional): 1 Ca 0.37229532416976 0.94151271674347 0.49381704967482 40.078 > 1 2 Ca 0.87229532416976 0.94151271674347 0.49381704967482 40.078 > 1 3 Ca 0.37229532416976 0.94151271674347 0.99381704967482 40.078 > 1 4 Ca 0.87229532416976 0.94151271674347 0.99381704967482 40.078 > 1 5 Ca 0.12770467583024 0.44151271674347 0.25618295032518 40.078 > 5 6 Ca 0.62770467583024 0.44151271674347 0.25618295032518 40.078 > 5 7 Ca 0.12770467583024 0.44151271674347 0.75618295032518 40.078 > 5 8 Ca 0.62770467583024 0.44151271674347 0.75618295032518 40.078 > 5 9 Ca 0.12770467583024 0.05848728325653 0.00618295032518 40.078 > 9 10 Ca 0.62770467583024 0.05848728325653 0.00618295032518 40.078 > 9 11 Ca 0.12770467583024 0.05848728325653 0.50618295032518 40.078 > 9 12 Ca 0.62770467583024 0.05848728325653 0.50618295032518 40.078 > 9 13 Ca 0.37229532416976 0.55848728325653 0.24381704967482 40.078 > 13 14 Ca 0.87229532416976 0.55848728325653 0.24381704967482 40.078 > 13 15 Ca 0.37229532416976 0.55848728325653 0.74381704967482 40.078 > 13 16 Ca 0.87229532416976 0.55848728325653 0.74381704967482 40.078 > 13 17 Ca 0.13165362952080 0.93736652081749 0.25063120431314 40.078 > 17 18 Ca 0.63165362952080 0.93736652081749 0.25063120431314 40.078 > 17 19 Ca 0.13165362952080 0.93736652081749 0.75063120431314 40.078 > 17 20 Ca 0.63165362952080 0.93736652081749 0.75063120431314 40.078 > 17 21 Ca 0.36834637047920 0.43736652081749 0.49936879568686 40.078 > 21 22 Ca 0.86834637047920 0.43736652081749 0.49936879568686 40.078 > 21 23 Ca 0.36834637047920 0.43736652081749 0.99936879568686 40.078 > 21 24 Ca 0.86834637047920 0.43736652081749 0.99936879568686 40.078 > 21 25 Ca 0.36834637047920 0.06263347918251 0.24936879568686 40.078 > 25 26 Ca 0.86834637047920 0.06263347918251 0.24936879568686 40.078 > 25 27 Ca 0.36834637047920 0.06263347918251 0.74936879568686 40.078 > 25 28 Ca 0.86834637047920 0.06263347918251 0.74936879568686 40.078 > 25 29 Ca 0.13165362952080 0.56263347918251 0.00063120431314 40.078 > 29 30 Ca 0.63165362952080 0.56263347918251 0.00063120431314 40.078 > 29 31 Ca 0.13165362952080 0.56263347918251 0.50063120431314 40.078 > 29 32 Ca 0.63165362952080 0.56263347918251 0.50063120431314 40.078 > 29 33 Ca 0.39120817339795 0.81681122014278 0.24365477870651 40.078 > 33 34 Ca 0.89120817339795 0.81681122014278 0.24365477870651 40.078 > 33 35 Ca 0.39120817339795 0.81681122014278 0.74365477870651 40.078 > 33 36 Ca 0.89120817339795 0.81681122014278 0.74365477870651 40.078 > 33 37 Ca 0.10879182660205 0.31681122014278 0.00634522129349 40.078 > 37 38 Ca 0.60879182660205 0.31681122014278 0.00634522129349 40.078 > 37 39 Ca 0.10879182660205 0.31681122014278 0.50634522129349 40.078 > 37 40 Ca 0.60879182660205 0.31681122014278 0.50634522129349 40.078 > 37 41 Ca 0.10879182660205 0.18318877985722 0.25634522129349 40.078 > 41 42 Ca 0.60879182660205 0.18318877985722 0.25634522129349 40.078 > 41 43 Ca 0.10879182660205 0.18318877985722 0.75634522129349 40.078 > 41 44 Ca 0.60879182660205 0.18318877985722 0.75634522129349 40.078 > 41 45 Ca 0.39120817339795 0.68318877985722 0.49365477870651 40.078 > 45 46 Ca 0.89120817339795 0.68318877985722 0.49365477870651 40.078 > 45 47 Ca 0.39120817339795 0.68318877985722 0.99365477870651 40.078 > 45 48 Ca 0.89120817339795 0.68318877985722 0.99365477870651 40.078 > 45 49 Ge 0.15951857166356 0.74123785000350 0.20989874171174 72.640 > 49 50 Ge 0.65951857166356 0.74123785000350 0.20989874171174 72.640 > 49 51 Ge 0.15951857166356 0.74123785000350 0.70989874171174 72.640 > 49 52 Ge 0.65951857166356 0.74123785000350 0.70989874171174 72.640 > 49 53 Ge 0.34048142833644 0.24123785000350 0.04010125828826 72.640 > 53 54 Ge 0.84048142833644 0.24123785000350 0.04010125828826 72.640 > 53 55 Ge 0.34048142833644 0.24123785000350 0.54010125828826 72.640 > 53 56 Ge 0.84048142833644 0.24123785000350 0.54010125828826 72.640 > 53 57 Ge 0.34048142833644 0.25876214999650 0.29010125828826 72.640 > 57 58 Ge 0.84048142833644 0.25876214999650 0.29010125828826 72.640 > 57 59 Ge 0.34048142833644 0.25876214999650 0.79010125828826 72.640 > 57 60 Ge 0.84048142833644 0.25876214999650 0.79010125828826 72.640 > 57 61 Ge 0.15951857166356 0.75876214999650 0.45989874171174 72.640 > 61 62 Ge 0.65951857166356 0.75876214999650 0.45989874171174 72.640 > 61 63 Ge 0.15951857166356 0.75876214999650 0.95989874171174 72.640 > 61 64 Ge 0.65951857166356 0.75876214999650 0.95989874171174 72.640 > 61 65 Ge 0.39570739360417 0.37390347781123 0.23446250783714 72.640 > 65 66 Ge 0.89570739360417 0.37390347781123 0.23446250783714 72.640 > 65 67 Ge 0.39570739360417 0.37390347781123 0.73446250783714 72.640 > 65 68 Ge 0.89570739360417 0.37390347781123 0.73446250783714 72.640 > 65 69 Ge 0.10429260639583 0.87390347781123 0.01553749216286 72.640 > 69 70 Ge 0.60429260639583 0.87390347781123 0.01553749216286 72.640 > 69 71 Ge 0.10429260639583 0.87390347781123 0.51553749216286 72.640 > 69 72 Ge 0.60429260639583 0.87390347781123 0.51553749216286 72.640 > 69 73 Ge 0.10429260639583 0.62609652218877 0.26553749216286 72.640 > 73 74 Ge 0.60429260639583 0.62609652218877 0.26553749216286 72.640 > 73 75 Ge 0.10429260639583 0.62609652218877 0.76553749216286 72.640 > 73 76 Ge 0.60429260639583 0.62609652218877 0.76553749216286 72.640 > 73 77 Ge 0.39570739360417 0.12609652218877 0.48446250783714 72.640 > 77 78 Ge 0.89570739360417 0.12609652218877 0.48446250783714 72.640 > 77 79 Ge 0.39570739360417 0.12609652218877 0.98446250783714 72.640 > 77 80 Ge 0.89570739360417 0.12609652218877 0.98446250783714 72.640 > 77 81 As 0.25944204611427 0.80558969545396 0.36615621163066 74.922 > 81 82 As 0.75944204611427 0.80558969545396 0.36615621163066 74.922 > 81 83 As 0.25944204611427 0.80558969545396 0.86615621163066 74.922 > 81 84 As 0.75944204611427 0.80558969545396 0.86615621163066 74.922 > 81 85 As 0.24055795388573 0.30558969545396 0.38384378836934 74.922 > 85 86 As 0.74055795388573 0.30558969545396 0.38384378836934 74.922 > 85 87 As 0.24055795388573 0.30558969545396 0.88384378836934 74.922 > 85 88 As 0.74055795388573 0.30558969545396 0.88384378836934 74.922 > 85 89 As 0.24055795388573 0.19441030454604 0.13384378836934 74.922 > 89 90 As 0.74055795388573 0.19441030454604 0.13384378836934 74.922 > 89 91 As 0.24055795388573 0.19441030454604 0.63384378836934 74.922 > 89 92 As 0.74055795388573 0.19441030454604 0.63384378836934 74.922 > 89 93 As 0.25944204611427 0.69441030454604 0.11615621163066 74.922 > 93 94 As 0.75944204611427 0.69441030454604 0.11615621163066 74.922 > 93 95 As 0.25944204611427 0.69441030454604 0.61615621163066 74.922 > 93 96 As 0.75944204611427 0.69441030454604 0.61615621163066 74.922 > 93 97 As 0.01242086740738 0.68632046158912 0.36120899195023 74.922 > 97 98 As 0.51242086740738 0.68632046158912 0.36120899195023 74.922 > 97 99 As 0.01242086740738 0.68632046158912 0.86120899195023 74.922 > 97 100 As 0.51242086740738 0.68632046158912 0.86120899195023 74.922 > 97 101 As 0.48757913259262 0.18632046158912 0.38879100804977 74.922 > 101 102 As 0.98757913259262 0.18632046158912 0.38879100804977 74.922 > 101 103 As 0.48757913259262 0.18632046158912 0.88879100804977 74.922 > 101 104 As 0.98757913259262 0.18632046158912 0.88879100804977 74.922 > 101 105 As 0.48757913259262 0.31367953841087 0.13879100804977 74.922 > 105 106 As 0.98757913259262 0.31367953841087 0.13879100804977 74.922 > 105 107 As 0.48757913259262 0.31367953841087 0.63879100804977 74.922 > 105 108 As 0.98757913259262 0.31367953841087 0.63879100804977 74.922 > 105 109 As 0.01242086740738 0.81367953841088 0.11120899195023 74.922 > 109 110 As 0.51242086740738 0.81367953841088 0.11120899195023 74.922 > 109 111 As 0.01242086740738 0.81367953841088 0.61120899195023 74.922 > 109 112 As 0.51242086740738 0.81367953841088 0.61120899195023 74.922 > 109 113 As 0.00042868520344 0.94204513341794 0.37081569864894 74.922 > 113 114 As 0.50042868520344 0.94204513341794 0.37081569864894 74.922 > 113 115 As 0.00042868520344 0.94204513341794 0.87081569864894 74.922 > 113 116 As 0.50042868520344 0.94204513341794 0.87081569864894 74.922 > 113 117 As 0.49957131479655 0.44204513341794 0.37918430135106 74.922 > 117 118 As 0.99957131479656 0.44204513341794 0.37918430135106 74.922 > 117 119 As 0.49957131479655 0.44204513341794 0.87918430135106 74.922 > 117 120 As 0.99957131479656 0.44204513341794 0.87918430135106 74.922 > 117 121 As 0.49957131479655 0.05795486658206 0.12918430135106 74.922 > 121 122 As 0.99957131479656 0.05795486658206 0.12918430135106 74.922 > 121 123 As 0.49957131479655 0.05795486658206 0.62918430135106 74.922 > 121 124 As 0.99957131479656 0.05795486658206 0.62918430135106 74.922 > 121 125 As 0.00042868520344 0.55795486658206 0.12081569864894 74.922 > 125 126 As 0.50042868520344 0.55795486658206 0.12081569864894 74.922 > 125 127 As 0.00042868520344 0.55795486658206 0.62081569864894 74.922 > 125 128 As 0.50042868520344 0.55795486658206 0.62081569864894 74.922 > 125 129 As 0.25440861645530 0.93466969477636 0.12451792141710 74.922 > 129 130 As 0.75440861645530 0.93466969477636 0.12451792141710 74.922 > 129 131 As 0.25440861645530 0.93466969477636 0.62451792141710 74.922 > 129 132 As 0.75440861645530 0.93466969477636 0.62451792141710 74.922 > 129 133 As 0.24559138354470 0.43466969477636 0.12548207858290 74.922 > 133 134 As 0.74559138354470 0.43466969477636 0.12548207858290 74.922 > 133 135 As 0.24559138354470 0.43466969477636 0.62548207858290 74.922 > 133 136 As 0.74559138354470 0.43466969477636 0.62548207858290 74.922 > 133 137 As 0.24559138354470 0.06533030522364 0.37548207858290 74.922 > 137 138 As 0.74559138354470 0.06533030522364 0.37548207858290 74.922 > 137 139 As 0.24559138354470 0.06533030522364 0.87548207858290 74.922 > 137 140 As 0.74559138354470 0.06533030522364 0.87548207858290 74.922 > 137 141 As 0.25440861645530 0.56533030522364 0.37451792141710 74.922 > 141 142 As 0.75440861645530 0.56533030522364 0.37451792141710 74.922 > 141 143 As 0.25440861645530 0.56533030522364 0.87451792141710 74.922 > 141 144 As 0.75440861645530 0.56533030522364 0.87451792141710 74.922 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.9819099 0.0000000 0.8781583 0.0000000 12.6588430 0.0000000 0.8787756 0.0000000 15.5029012 -------------------------- Born effective charges -------------------------- 1 Ca 2.5569516 -0.2654068 0.1725857 -0.0931503 2.9090552 -0.1557890 0.3695190 0.2909627 1.8446839 2 Ca 2.5569516 0.2654068 0.1725857 0.0931503 2.9090552 0.1557890 0.3695190 -0.2909627 1.8446839 3 Ca 2.5569516 -0.2654068 0.1725857 -0.0931503 2.9090552 -0.1557890 0.3695190 0.2909627 1.8446839 4 Ca 2.5569516 0.2654068 0.1725857 0.0931503 2.9090552 0.1557890 0.3695190 -0.2909627 1.8446839 5 Ca 1.8928372 -0.1061621 0.0762637 -0.2864824 2.9499296 0.2268498 0.0604025 0.1998516 2.8333779 6 Ca 1.8928372 0.1061621 0.0762637 0.2864824 2.9499296 -0.2268498 0.0604025 -0.1998516 2.8333779 7 Ca 1.8928372 -0.1061621 0.0762637 -0.2864824 2.9499296 0.2268498 0.0604025 0.1998516 2.8333779 8 Ca 1.8928372 0.1061621 0.0762637 0.2864824 2.9499296 -0.2268498 0.0604025 -0.1998516 2.8333779 9 Ca 3.2806271 -0.2173543 -0.0947590 0.2627712 1.7160921 -0.1827225 -0.0841572 0.3063176 2.4726465 10 Ca 3.2806271 0.2173543 -0.0947590 -0.2627712 1.7160921 0.1827225 -0.0841572 -0.3063176 2.4726465 11 Ca 3.2806271 -0.2173543 -0.0947590 0.2627712 1.7160921 -0.1827225 -0.0841572 0.3063176 2.4726465 12 Ca 3.2806271 0.2173543 -0.0947590 -0.2627712 1.7160921 0.1827225 -0.0841572 -0.3063176 2.4726465 13 Ge 1.1569023 -0.1979638 -0.3521328 -0.3239000 1.1486307 -0.3060989 0.0041823 -0.0013415 2.9058926 14 Ge 1.1569023 0.1979638 -0.3521328 0.3239000 1.1486307 0.3060989 0.0041823 0.0013415 2.9058926 15 Ge 1.1569023 -0.1979638 -0.3521328 -0.3239000 1.1486307 -0.3060989 0.0041823 -0.0013415 2.9058926 16 Ge 1.1569023 0.1979638 -0.3521328 0.3239000 1.1486307 0.3060989 0.0041823 0.0013415 2.9058926 17 Ge 1.7259199 -0.1033559 0.6179978 -0.2014977 2.1953248 0.5281485 0.2582388 0.2312548 2.3890817 18 Ge 1.7259199 0.1033559 0.6179978 0.2014977 2.1953248 -0.5281485 0.2582388 -0.2312548 2.3890817 19 Ge 1.7259199 -0.1033559 0.6179978 -0.2014977 2.1953248 0.5281485 0.2582388 0.2312548 2.3890817 20 Ge 1.7259199 0.1033559 0.6179978 0.2014977 2.1953248 -0.5281485 0.2582388 -0.2312548 2.3890817 21 As -2.1868928 -0.4436841 0.1960650 -0.0879686 -2.0605974 -0.4331170 0.6408057 -0.3557545 -3.0061614 22 As -2.1868928 0.4436841 0.1960650 0.0879686 -2.0605974 0.4331170 0.6408057 0.3557545 -3.0061614 23 As -2.1868928 -0.4436841 0.1960650 -0.0879686 -2.0605974 -0.4331170 0.6408057 -0.3557545 -3.0061614 24 As -2.1868928 0.4436841 0.1960650 0.0879686 -2.0605974 0.4331170 0.6408057 0.3557545 -3.0061614 25 As -2.8038404 -0.3154695 0.3527919 -0.2695440 -2.4691984 -0.4858074 -0.0783983 -0.7255198 -2.9579132 26 As -2.8038404 0.3154695 0.3527919 0.2695440 -2.4691984 0.4858074 -0.0783983 0.7255198 -2.9579132 27 As -2.8038404 -0.3154695 0.3527919 -0.2695440 -2.4691984 -0.4858074 -0.0783983 -0.7255198 -2.9579132 28 As -2.8038404 0.3154695 0.3527919 0.2695440 -2.4691984 0.4858074 -0.0783983 0.7255198 -2.9579132 29 As -2.6737514 0.5574107 -0.5895307 0.2368252 -3.1190520 0.5685785 -0.4907431 0.5912949 -3.4083768 30 As -2.6737514 -0.5574107 -0.5895307 -0.2368252 -3.1190520 -0.5685785 -0.4907431 -0.5912949 -3.4083768 31 As -2.6737514 0.5574107 -0.5895307 0.2368252 -3.1190520 0.5685785 -0.4907431 0.5912949 -3.4083768 32 As -2.6737514 -0.5574107 -0.5895307 -0.2368252 -3.1190520 -0.5685785 -0.4907431 -0.5912949 -3.4083768 33 As -2.9487536 -0.3128925 -0.3792816 -0.1051471 -3.2701848 -0.4086101 -0.6798497 -0.6946813 -3.0732312 34 As -2.9487536 0.3128925 -0.3792816 0.1051471 -3.2701848 0.4086101 -0.6798497 0.6946813 -3.0732312 35 As -2.9487536 -0.3128925 -0.3792816 -0.1051471 -3.2701848 -0.4086101 -0.6798497 -0.6946813 -3.0732312 36 As -2.9487536 0.3128925 -0.3792816 0.1051471 -3.2701848 0.4086101 -0.6798497 0.6946813 -3.0732312 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (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 04:38:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:38:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.227661726267240 0.000000000000000 0.000000000000000 b 0.000000000000000 17.735266490000001 0.000000000000000 c -2.647813162307510 0.000000000000000 6.704659669822616 Atomic positions (fractional): 1 Ca 0.74459064833953 0.94151271674347 0.98763409934965 40.078 2 Ca 0.25540935166048 0.44151271674347 0.51236590065035 40.078 3 Ca 0.25540935166048 0.05848728325653 0.01236590065035 40.078 4 Ca 0.74459064833953 0.55848728325653 0.48763409934965 40.078 5 Ca 0.26330725904159 0.93736652081749 0.50126240862629 40.078 6 Ca 0.73669274095841 0.43736652081749 0.99873759137371 40.078 7 Ca 0.73669274095841 0.06263347918251 0.49873759137371 40.078 8 Ca 0.26330725904159 0.56263347918251 0.00126240862629 40.078 9 Ca 0.78241634679590 0.81681122014278 0.48730955741302 40.078 10 Ca 0.21758365320410 0.31681122014278 0.01269044258699 40.078 11 Ca 0.21758365320410 0.18318877985722 0.51269044258699 40.078 12 Ca 0.78241634679590 0.68318877985722 0.98730955741301 40.078 13 Ge 0.31903714332711 0.74123785000350 0.41979748342347 72.640 14 Ge 0.68096285667289 0.24123785000350 0.08020251657653 72.640 15 Ge 0.68096285667289 0.25876214999650 0.58020251657653 72.640 16 Ge 0.31903714332711 0.75876214999650 0.91979748342347 72.640 17 Ge 0.79141478720835 0.37390347781123 0.46892501567427 72.640 18 Ge 0.20858521279166 0.87390347781123 0.03107498432573 72.640 19 Ge 0.20858521279166 0.62609652218877 0.53107498432573 72.640 20 Ge 0.79141478720835 0.12609652218877 0.96892501567427 72.640 21 As 0.51888409222853 0.80558969545396 0.73231242326131 74.922 22 As 0.48111590777147 0.30558969545396 0.76768757673869 74.922 23 As 0.48111590777147 0.19441030454604 0.26768757673868 74.922 24 As 0.51888409222853 0.69441030454604 0.23231242326131 74.922 25 As 0.02484173481475 0.68632046158912 0.72241798390045 74.922 26 As 0.97515826518525 0.18632046158912 0.77758201609955 74.922 27 As 0.97515826518525 0.31367953841087 0.27758201609955 74.922 28 As 0.02484173481475 0.81367953841088 0.22241798390046 74.922 29 As 0.00085737040689 0.94204513341794 0.74163139729788 74.922 30 As 0.99914262959311 0.44204513341794 0.75836860270212 74.922 31 As 0.99914262959311 0.05795486658206 0.25836860270212 74.922 32 As 0.00085737040689 0.55795486658206 0.24163139729788 74.922 33 As 0.50881723291060 0.93466969477636 0.24903584283419 74.922 34 As 0.49118276708940 0.43466969477636 0.25096415716581 74.922 35 As 0.49118276708940 0.06533030522364 0.75096415716581 74.922 36 As 0.50881723291060 0.56533030522364 0.74903584283419 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.455323452534479 0.000000000000000 0.000000000000000 b 0.000000000000000 17.735266490000001 0.000000000000000 c -5.295626324615020 0.000000000000000 13.409319339645233 Atomic positions (fractional): 1 Ca 0.37229532416976 0.94151271674347 0.49381704967482 40.078 > 1 2 Ca 0.87229532416976 0.94151271674347 0.49381704967482 40.078 > 1 3 Ca 0.37229532416976 0.94151271674347 0.99381704967482 40.078 > 1 4 Ca 0.87229532416976 0.94151271674347 0.99381704967482 40.078 > 1 5 Ca 0.12770467583024 0.44151271674347 0.25618295032518 40.078 > 5 6 Ca 0.62770467583024 0.44151271674347 0.25618295032518 40.078 > 5 7 Ca 0.12770467583024 0.44151271674347 0.75618295032518 40.078 > 5 8 Ca 0.62770467583024 0.44151271674347 0.75618295032518 40.078 > 5 9 Ca 0.12770467583024 0.05848728325653 0.00618295032518 40.078 > 9 10 Ca 0.62770467583024 0.05848728325653 0.00618295032518 40.078 > 9 11 Ca 0.12770467583024 0.05848728325653 0.50618295032518 40.078 > 9 12 Ca 0.62770467583024 0.05848728325653 0.50618295032518 40.078 > 9 13 Ca 0.37229532416976 0.55848728325653 0.24381704967482 40.078 > 13 14 Ca 0.87229532416976 0.55848728325653 0.24381704967482 40.078 > 13 15 Ca 0.37229532416976 0.55848728325653 0.74381704967482 40.078 > 13 16 Ca 0.87229532416976 0.55848728325653 0.74381704967482 40.078 > 13 17 Ca 0.13165362952080 0.93736652081749 0.25063120431314 40.078 > 17 18 Ca 0.63165362952080 0.93736652081749 0.25063120431314 40.078 > 17 19 Ca 0.13165362952080 0.93736652081749 0.75063120431314 40.078 > 17 20 Ca 0.63165362952080 0.93736652081749 0.75063120431314 40.078 > 17 21 Ca 0.36834637047920 0.43736652081749 0.49936879568686 40.078 > 21 22 Ca 0.86834637047920 0.43736652081749 0.49936879568686 40.078 > 21 23 Ca 0.36834637047920 0.43736652081749 0.99936879568686 40.078 > 21 24 Ca 0.86834637047920 0.43736652081749 0.99936879568686 40.078 > 21 25 Ca 0.36834637047920 0.06263347918251 0.24936879568686 40.078 > 25 26 Ca 0.86834637047920 0.06263347918251 0.24936879568686 40.078 > 25 27 Ca 0.36834637047920 0.06263347918251 0.74936879568686 40.078 > 25 28 Ca 0.86834637047920 0.06263347918251 0.74936879568686 40.078 > 25 29 Ca 0.13165362952080 0.56263347918251 0.00063120431314 40.078 > 29 30 Ca 0.63165362952080 0.56263347918251 0.00063120431314 40.078 > 29 31 Ca 0.13165362952080 0.56263347918251 0.50063120431314 40.078 > 29 32 Ca 0.63165362952080 0.56263347918251 0.50063120431314 40.078 > 29 33 Ca 0.39120817339795 0.81681122014278 0.24365477870651 40.078 > 33 34 Ca 0.89120817339795 0.81681122014278 0.24365477870651 40.078 > 33 35 Ca 0.39120817339795 0.81681122014278 0.74365477870651 40.078 > 33 36 Ca 0.89120817339795 0.81681122014278 0.74365477870651 40.078 > 33 37 Ca 0.10879182660205 0.31681122014278 0.00634522129349 40.078 > 37 38 Ca 0.60879182660205 0.31681122014278 0.00634522129349 40.078 > 37 39 Ca 0.10879182660205 0.31681122014278 0.50634522129349 40.078 > 37 40 Ca 0.60879182660205 0.31681122014278 0.50634522129349 40.078 > 37 41 Ca 0.10879182660205 0.18318877985722 0.25634522129349 40.078 > 41 42 Ca 0.60879182660205 0.18318877985722 0.25634522129349 40.078 > 41 43 Ca 0.10879182660205 0.18318877985722 0.75634522129349 40.078 > 41 44 Ca 0.60879182660205 0.18318877985722 0.75634522129349 40.078 > 41 45 Ca 0.39120817339795 0.68318877985722 0.49365477870651 40.078 > 45 46 Ca 0.89120817339795 0.68318877985722 0.49365477870651 40.078 > 45 47 Ca 0.39120817339795 0.68318877985722 0.99365477870651 40.078 > 45 48 Ca 0.89120817339795 0.68318877985722 0.99365477870651 40.078 > 45 49 Ge 0.15951857166356 0.74123785000350 0.20989874171174 72.640 > 49 50 Ge 0.65951857166356 0.74123785000350 0.20989874171174 72.640 > 49 51 Ge 0.15951857166356 0.74123785000350 0.70989874171174 72.640 > 49 52 Ge 0.65951857166356 0.74123785000350 0.70989874171174 72.640 > 49 53 Ge 0.34048142833644 0.24123785000350 0.04010125828826 72.640 > 53 54 Ge 0.84048142833644 0.24123785000350 0.04010125828826 72.640 > 53 55 Ge 0.34048142833644 0.24123785000350 0.54010125828826 72.640 > 53 56 Ge 0.84048142833644 0.24123785000350 0.54010125828826 72.640 > 53 57 Ge 0.34048142833644 0.25876214999650 0.29010125828826 72.640 > 57 58 Ge 0.84048142833644 0.25876214999650 0.29010125828826 72.640 > 57 59 Ge 0.34048142833644 0.25876214999650 0.79010125828826 72.640 > 57 60 Ge 0.84048142833644 0.25876214999650 0.79010125828826 72.640 > 57 61 Ge 0.15951857166356 0.75876214999650 0.45989874171174 72.640 > 61 62 Ge 0.65951857166356 0.75876214999650 0.45989874171174 72.640 > 61 63 Ge 0.15951857166356 0.75876214999650 0.95989874171174 72.640 > 61 64 Ge 0.65951857166356 0.75876214999650 0.95989874171174 72.640 > 61 65 Ge 0.39570739360417 0.37390347781123 0.23446250783714 72.640 > 65 66 Ge 0.89570739360417 0.37390347781123 0.23446250783714 72.640 > 65 67 Ge 0.39570739360417 0.37390347781123 0.73446250783714 72.640 > 65 68 Ge 0.89570739360417 0.37390347781123 0.73446250783714 72.640 > 65 69 Ge 0.10429260639583 0.87390347781123 0.01553749216286 72.640 > 69 70 Ge 0.60429260639583 0.87390347781123 0.01553749216286 72.640 > 69 71 Ge 0.10429260639583 0.87390347781123 0.51553749216286 72.640 > 69 72 Ge 0.60429260639583 0.87390347781123 0.51553749216286 72.640 > 69 73 Ge 0.10429260639583 0.62609652218877 0.26553749216286 72.640 > 73 74 Ge 0.60429260639583 0.62609652218877 0.26553749216286 72.640 > 73 75 Ge 0.10429260639583 0.62609652218877 0.76553749216286 72.640 > 73 76 Ge 0.60429260639583 0.62609652218877 0.76553749216286 72.640 > 73 77 Ge 0.39570739360417 0.12609652218877 0.48446250783714 72.640 > 77 78 Ge 0.89570739360417 0.12609652218877 0.48446250783714 72.640 > 77 79 Ge 0.39570739360417 0.12609652218877 0.98446250783714 72.640 > 77 80 Ge 0.89570739360417 0.12609652218877 0.98446250783714 72.640 > 77 81 As 0.25944204611427 0.80558969545396 0.36615621163066 74.922 > 81 82 As 0.75944204611427 0.80558969545396 0.36615621163066 74.922 > 81 83 As 0.25944204611427 0.80558969545396 0.86615621163066 74.922 > 81 84 As 0.75944204611427 0.80558969545396 0.86615621163066 74.922 > 81 85 As 0.24055795388573 0.30558969545396 0.38384378836934 74.922 > 85 86 As 0.74055795388573 0.30558969545396 0.38384378836934 74.922 > 85 87 As 0.24055795388573 0.30558969545396 0.88384378836934 74.922 > 85 88 As 0.74055795388573 0.30558969545396 0.88384378836934 74.922 > 85 89 As 0.24055795388573 0.19441030454604 0.13384378836934 74.922 > 89 90 As 0.74055795388573 0.19441030454604 0.13384378836934 74.922 > 89 91 As 0.24055795388573 0.19441030454604 0.63384378836934 74.922 > 89 92 As 0.74055795388573 0.19441030454604 0.63384378836934 74.922 > 89 93 As 0.25944204611427 0.69441030454604 0.11615621163066 74.922 > 93 94 As 0.75944204611427 0.69441030454604 0.11615621163066 74.922 > 93 95 As 0.25944204611427 0.69441030454604 0.61615621163066 74.922 > 93 96 As 0.75944204611427 0.69441030454604 0.61615621163066 74.922 > 93 97 As 0.01242086740738 0.68632046158912 0.36120899195023 74.922 > 97 98 As 0.51242086740738 0.68632046158912 0.36120899195023 74.922 > 97 99 As 0.01242086740738 0.68632046158912 0.86120899195023 74.922 > 97 100 As 0.51242086740738 0.68632046158912 0.86120899195023 74.922 > 97 101 As 0.48757913259262 0.18632046158912 0.38879100804977 74.922 > 101 102 As 0.98757913259262 0.18632046158912 0.38879100804977 74.922 > 101 103 As 0.48757913259262 0.18632046158912 0.88879100804977 74.922 > 101 104 As 0.98757913259262 0.18632046158912 0.88879100804977 74.922 > 101 105 As 0.48757913259262 0.31367953841087 0.13879100804977 74.922 > 105 106 As 0.98757913259262 0.31367953841087 0.13879100804977 74.922 > 105 107 As 0.48757913259262 0.31367953841087 0.63879100804977 74.922 > 105 108 As 0.98757913259262 0.31367953841087 0.63879100804977 74.922 > 105 109 As 0.01242086740738 0.81367953841088 0.11120899195023 74.922 > 109 110 As 0.51242086740738 0.81367953841088 0.11120899195023 74.922 > 109 111 As 0.01242086740738 0.81367953841088 0.61120899195023 74.922 > 109 112 As 0.51242086740738 0.81367953841088 0.61120899195023 74.922 > 109 113 As 0.00042868520344 0.94204513341794 0.37081569864894 74.922 > 113 114 As 0.50042868520344 0.94204513341794 0.37081569864894 74.922 > 113 115 As 0.00042868520344 0.94204513341794 0.87081569864894 74.922 > 113 116 As 0.50042868520344 0.94204513341794 0.87081569864894 74.922 > 113 117 As 0.49957131479655 0.44204513341794 0.37918430135106 74.922 > 117 118 As 0.99957131479656 0.44204513341794 0.37918430135106 74.922 > 117 119 As 0.49957131479655 0.44204513341794 0.87918430135106 74.922 > 117 120 As 0.99957131479656 0.44204513341794 0.87918430135106 74.922 > 117 121 As 0.49957131479655 0.05795486658206 0.12918430135106 74.922 > 121 122 As 0.99957131479656 0.05795486658206 0.12918430135106 74.922 > 121 123 As 0.49957131479655 0.05795486658206 0.62918430135106 74.922 > 121 124 As 0.99957131479656 0.05795486658206 0.62918430135106 74.922 > 121 125 As 0.00042868520344 0.55795486658206 0.12081569864894 74.922 > 125 126 As 0.50042868520344 0.55795486658206 0.12081569864894 74.922 > 125 127 As 0.00042868520344 0.55795486658206 0.62081569864894 74.922 > 125 128 As 0.50042868520344 0.55795486658206 0.62081569864894 74.922 > 125 129 As 0.25440861645530 0.93466969477636 0.12451792141710 74.922 > 129 130 As 0.75440861645530 0.93466969477636 0.12451792141710 74.922 > 129 131 As 0.25440861645530 0.93466969477636 0.62451792141710 74.922 > 129 132 As 0.75440861645530 0.93466969477636 0.62451792141710 74.922 > 129 133 As 0.24559138354470 0.43466969477636 0.12548207858290 74.922 > 133 134 As 0.74559138354470 0.43466969477636 0.12548207858290 74.922 > 133 135 As 0.24559138354470 0.43466969477636 0.62548207858290 74.922 > 133 136 As 0.74559138354470 0.43466969477636 0.62548207858290 74.922 > 133 137 As 0.24559138354470 0.06533030522364 0.37548207858290 74.922 > 137 138 As 0.74559138354470 0.06533030522364 0.37548207858290 74.922 > 137 139 As 0.24559138354470 0.06533030522364 0.87548207858290 74.922 > 137 140 As 0.74559138354470 0.06533030522364 0.87548207858290 74.922 > 137 141 As 0.25440861645530 0.56533030522364 0.37451792141710 74.922 > 141 142 As 0.75440861645530 0.56533030522364 0.37451792141710 74.922 > 141 143 As 0.25440861645530 0.56533030522364 0.87451792141710 74.922 > 141 144 As 0.75440861645530 0.56533030522364 0.87451792141710 74.922 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.9819099 0.0000000 0.8781583 0.0000000 12.6588430 0.0000000 0.8787756 0.0000000 15.5029012 -------------------------- Born effective charges -------------------------- 1 Ca 2.5569516 -0.2654068 0.1725857 -0.0931503 2.9090552 -0.1557890 0.3695190 0.2909627 1.8446839 2 Ca 2.5569516 0.2654068 0.1725857 0.0931503 2.9090552 0.1557890 0.3695190 -0.2909627 1.8446839 3 Ca 2.5569516 -0.2654068 0.1725857 -0.0931503 2.9090552 -0.1557890 0.3695190 0.2909627 1.8446839 4 Ca 2.5569516 0.2654068 0.1725857 0.0931503 2.9090552 0.1557890 0.3695190 -0.2909627 1.8446839 5 Ca 1.8928372 -0.1061621 0.0762637 -0.2864824 2.9499296 0.2268498 0.0604025 0.1998516 2.8333779 6 Ca 1.8928372 0.1061621 0.0762637 0.2864824 2.9499296 -0.2268498 0.0604025 -0.1998516 2.8333779 7 Ca 1.8928372 -0.1061621 0.0762637 -0.2864824 2.9499296 0.2268498 0.0604025 0.1998516 2.8333779 8 Ca 1.8928372 0.1061621 0.0762637 0.2864824 2.9499296 -0.2268498 0.0604025 -0.1998516 2.8333779 9 Ca 3.2806271 -0.2173543 -0.0947590 0.2627712 1.7160921 -0.1827225 -0.0841572 0.3063176 2.4726465 10 Ca 3.2806271 0.2173543 -0.0947590 -0.2627712 1.7160921 0.1827225 -0.0841572 -0.3063176 2.4726465 11 Ca 3.2806271 -0.2173543 -0.0947590 0.2627712 1.7160921 -0.1827225 -0.0841572 0.3063176 2.4726465 12 Ca 3.2806271 0.2173543 -0.0947590 -0.2627712 1.7160921 0.1827225 -0.0841572 -0.3063176 2.4726465 13 Ge 1.1569023 -0.1979638 -0.3521328 -0.3239000 1.1486307 -0.3060989 0.0041823 -0.0013415 2.9058926 14 Ge 1.1569023 0.1979638 -0.3521328 0.3239000 1.1486307 0.3060989 0.0041823 0.0013415 2.9058926 15 Ge 1.1569023 -0.1979638 -0.3521328 -0.3239000 1.1486307 -0.3060989 0.0041823 -0.0013415 2.9058926 16 Ge 1.1569023 0.1979638 -0.3521328 0.3239000 1.1486307 0.3060989 0.0041823 0.0013415 2.9058926 17 Ge 1.7259199 -0.1033559 0.6179978 -0.2014977 2.1953248 0.5281485 0.2582388 0.2312548 2.3890817 18 Ge 1.7259199 0.1033559 0.6179978 0.2014977 2.1953248 -0.5281485 0.2582388 -0.2312548 2.3890817 19 Ge 1.7259199 -0.1033559 0.6179978 -0.2014977 2.1953248 0.5281485 0.2582388 0.2312548 2.3890817 20 Ge 1.7259199 0.1033559 0.6179978 0.2014977 2.1953248 -0.5281485 0.2582388 -0.2312548 2.3890817 21 As -2.1868928 -0.4436841 0.1960650 -0.0879686 -2.0605974 -0.4331170 0.6408057 -0.3557545 -3.0061614 22 As -2.1868928 0.4436841 0.1960650 0.0879686 -2.0605974 0.4331170 0.6408057 0.3557545 -3.0061614 23 As -2.1868928 -0.4436841 0.1960650 -0.0879686 -2.0605974 -0.4331170 0.6408057 -0.3557545 -3.0061614 24 As -2.1868928 0.4436841 0.1960650 0.0879686 -2.0605974 0.4331170 0.6408057 0.3557545 -3.0061614 25 As -2.8038404 -0.3154695 0.3527919 -0.2695440 -2.4691984 -0.4858074 -0.0783983 -0.7255198 -2.9579132 26 As -2.8038404 0.3154695 0.3527919 0.2695440 -2.4691984 0.4858074 -0.0783983 0.7255198 -2.9579132 27 As -2.8038404 -0.3154695 0.3527919 -0.2695440 -2.4691984 -0.4858074 -0.0783983 -0.7255198 -2.9579132 28 As -2.8038404 0.3154695 0.3527919 0.2695440 -2.4691984 0.4858074 -0.0783983 0.7255198 -2.9579132 29 As -2.6737514 0.5574107 -0.5895307 0.2368252 -3.1190520 0.5685785 -0.4907431 0.5912949 -3.4083768 30 As -2.6737514 -0.5574107 -0.5895307 -0.2368252 -3.1190520 -0.5685785 -0.4907431 -0.5912949 -3.4083768 31 As -2.6737514 0.5574107 -0.5895307 0.2368252 -3.1190520 0.5685785 -0.4907431 0.5912949 -3.4083768 32 As -2.6737514 -0.5574107 -0.5895307 -0.2368252 -3.1190520 -0.5685785 -0.4907431 -0.5912949 -3.4083768 33 As -2.9487536 -0.3128925 -0.3792816 -0.1051471 -3.2701848 -0.4086101 -0.6798497 -0.6946813 -3.0732312 34 As -2.9487536 0.3128925 -0.3792816 0.1051471 -3.2701848 0.4086101 -0.6798497 0.6946813 -3.0732312 35 As -2.9487536 -0.3128925 -0.3792816 -0.1051471 -3.2701848 -0.4086101 -0.6798497 -0.6946813 -3.0732312 36 As -2.9487536 0.3128925 -0.3792816 0.1051471 -3.2701848 0.4086101 -0.6798497 0.6946813 -3.0732312 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- 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 ... [ 7 3 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 287, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 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 1.187 ( 0.000 0.000 0.000) 0.000 1.404 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.088 ( 0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.787 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 0.000) 0.000 7.401 ( 0.000 0.000 0.000) 0.000 7.520 ( 0.000 0.000 0.000) 0.000 7.604 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 7.852 ( 0.000 0.000 0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.471 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 31.662 0.000 -2.421) 31.755 0.619 ( 23.839 0.000 18.108) 29.936 0.911 ( 35.345 0.000 21.543) 41.393 1.290 ( 12.803 0.000 -6.975) 14.580 1.452 ( 5.034 0.000 -6.063) 7.880 1.598 ( -2.252 0.000 -6.937) 7.294 1.716 ( 2.829 0.000 -14.612) 14.883 2.063 ( 2.868 0.000 2.398) 3.739 2.079 ( 3.879 0.000 4.179) 5.702 2.200 ( 1.842 0.000 3.868) 4.284 2.211 ( 3.933 0.000 -6.189) 7.333 2.305 ( 7.153 0.000 2.905) 7.721 2.369 ( 4.427 0.000 8.040) 9.178 2.425 ( -4.676 0.000 -1.564) 4.931 2.427 ( -5.574 0.000 -3.597) 6.634 2.474 ( -2.774 0.000 -0.399) 2.803 2.553 ( -2.368 0.000 -3.128) 3.923 2.603 ( 3.950 0.000 -1.552) 4.244 2.661 ( -4.458 0.000 -4.302) 6.196 2.733 ( 4.914 0.000 1.452) 5.124 2.750 ( 3.275 0.000 -1.897) 3.785 2.810 ( 0.305 0.000 3.394) 3.407 2.852 ( 2.729 0.000 2.869) 3.960 2.899 ( 4.293 0.000 7.058) 8.261 2.941 ( -1.073 0.000 0.689) 1.275 2.988 ( -0.867 0.000 -1.204) 1.484 3.004 ( 0.221 0.000 -3.923) 3.929 3.071 ( -2.845 0.000 2.964) 4.108 3.073 ( -4.363 0.000 -0.348) 4.376 3.148 ( 2.841 0.000 -0.650) 2.914 3.197 ( 3.921 0.000 1.537) 4.211 3.203 ( 3.189 0.000 11.020) 11.472 3.245 ( 0.484 0.000 -0.749) 0.892 3.384 ( 3.445 0.000 2.717) 4.387 3.421 ( -7.437 0.000 1.734) 7.636 3.509 ( -5.014 0.000 -4.628) 6.823 3.527 ( -6.457 0.000 0.841) 6.512 3.670 ( -5.473 0.000 -1.627) 5.710 3.692 ( -7.049 0.000 -0.028) 7.049 3.712 ( -8.686 0.000 7.527) 11.493 3.770 ( -4.547 0.000 7.050) 8.389 3.802 ( -4.263 0.000 2.300) 4.844 3.875 ( -3.494 0.000 10.388) 10.960 3.969 ( -8.574 0.000 3.521) 9.269 4.176 ( -2.474 0.000 -0.550) 2.535 4.241 ( -2.814 0.000 -2.824) 3.987 4.242 ( -2.227 0.000 -3.376) 4.044 4.253 ( 3.749 0.000 3.521) 5.143 4.393 ( 1.608 0.000 2.582) 3.042 4.450 ( 1.571 0.000 3.923) 4.225 4.492 ( 4.416 0.000 6.306) 7.699 4.576 ( 2.726 0.000 5.495) 6.134 4.614 ( 6.686 0.000 5.596) 8.719 4.651 ( 4.773 0.000 7.904) 9.234 4.697 ( 4.900 0.000 1.875) 5.246 4.789 ( 7.418 0.000 0.522) 7.436 4.978 ( 5.326 0.000 -4.292) 6.840 4.994 ( 7.715 0.000 -1.221) 7.811 4.998 ( 5.888 0.000 -3.497) 6.848 5.014 ( 7.279 0.000 0.409) 7.290 5.156 ( 2.609 0.000 1.635) 3.079 5.177 ( -4.908 0.000 -1.756) 5.213 5.298 ( 0.171 0.000 1.561) 1.570 5.374 ( -4.222 0.000 -0.005) 4.222 5.378 ( -3.424 0.000 -3.235) 4.711 5.478 ( 2.972 0.000 -2.291) 3.752 5.565 ( -4.217 0.000 0.059) 4.218 5.576 ( -1.903 0.000 -1.281) 2.294 5.642 ( -2.410 0.000 1.815) 3.017 5.645 ( -2.525 0.000 0.449) 2.564 5.663 ( -1.876 0.000 -0.599) 1.969 5.724 ( -2.806 0.000 -3.214) 4.267 5.760 ( -2.496 0.000 -1.203) 2.771 5.798 ( -0.211 0.000 1.729) 1.742 5.832 ( -3.053 0.000 -2.252) 3.793 5.867 ( -1.080 0.000 -3.990) 4.134 5.888 ( 0.317 0.000 -3.949) 3.961 5.986 ( -2.616 0.000 -0.770) 2.727 6.008 ( 0.075 0.000 -1.609) 1.611 6.036 ( -3.962 0.000 0.042) 3.962 6.046 ( 3.252 0.000 -2.726) 4.243 6.060 ( -1.577 0.000 1.222) 1.995 6.156 ( 2.695 0.000 -4.162) 4.958 6.201 ( -0.926 0.000 -3.160) 3.293 6.215 ( -0.483 0.000 -0.933) 1.051 6.265 ( -3.041 0.000 -1.477) 3.381 6.324 ( -1.939 0.000 -3.436) 3.945 6.411 ( 5.320 0.000 -14.590) 15.530 6.786 ( -2.111 0.000 3.655) 4.221 6.800 ( -1.188 0.000 2.812) 3.053 6.829 ( 0.190 0.000 0.149) 0.242 6.954 ( -1.671 0.000 -0.238) 1.688 7.072 ( -2.029 0.000 -3.369) 3.933 7.133 ( -3.018 0.000 -4.235) 5.201 7.201 ( 1.108 0.000 0.212) 1.128 7.311 ( -0.213 0.000 -1.579) 1.593 7.381 ( -1.065 0.000 -2.138) 2.389 7.461 ( -3.394 0.000 -4.276) 5.460 7.642 ( 3.033 0.000 0.243) 3.043 7.756 ( 0.696 0.000 -2.493) 2.589 7.875 ( 1.560 0.000 1.181) 1.957 7.927 ( 1.254 0.000 5.010) 5.164 8.026 ( 1.829 0.000 1.075) 2.122 8.231 ( -6.077 0.000 13.012) 14.361 8.255 ( -0.152 0.000 -0.712) 0.728 8.279 ( -0.209 0.000 -0.986) 1.008 8.467 ( -0.153 0.000 -0.495) 0.518 8.491 ( -0.180 0.000 -0.226) 0.289 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 28.488 0.000 -1.595) 28.532 1.217 ( 22.031 0.000 17.860) 28.361 1.485 ( 5.586 0.000 -3.758) 6.732 1.490 ( 8.043 0.000 -6.222) 10.168 1.596 ( 15.902 0.000 -7.150) 17.435 1.679 ( 21.740 0.000 10.718) 24.238 1.854 ( 18.265 0.000 -12.945) 22.387 2.148 ( 3.448 0.000 -3.731) 5.081 2.173 ( 5.943 0.000 3.781) 7.044 2.217 ( -2.002 0.000 -2.984) 3.594 2.281 ( 2.039 0.000 6.454) 6.768 2.304 ( -9.098 0.000 -10.097) 13.591 2.331 ( -2.557 0.000 0.692) 2.649 2.360 ( 6.144 0.000 -3.858) 7.255 2.454 ( -2.511 0.000 1.719) 3.043 2.456 ( -1.853 0.000 4.071) 4.473 2.593 ( 10.013 0.000 9.320) 13.680 2.607 ( -1.456 0.000 -6.127) 6.298 2.634 ( 4.569 0.000 1.661) 4.862 2.727 ( -2.069 0.000 -5.782) 6.141 2.762 ( -0.598 0.000 -4.876) 4.913 2.855 ( -6.610 0.000 1.728) 6.833 2.871 ( -0.102 0.000 2.915) 2.917 2.923 ( -0.142 0.000 3.425) 3.428 2.952 ( 4.604 0.000 -8.427) 9.603 2.970 ( -1.336 0.000 -1.977) 2.386 2.981 ( -4.219 0.000 0.636) 4.267 3.044 ( 6.097 0.000 0.237) 6.101 3.079 ( -4.326 0.000 2.886) 5.200 3.180 ( -3.720 0.000 4.280) 5.671 3.213 ( 0.135 0.000 5.075) 5.077 3.213 ( -5.488 0.000 -0.608) 5.522 3.299 ( -12.609 0.000 7.455) 14.648 3.334 ( -7.445 0.000 -4.110) 8.504 3.405 ( 9.761 0.000 9.801) 13.832 3.428 ( -3.503 0.000 9.383) 10.016 3.498 ( -6.295 0.000 1.090) 6.388 3.528 ( 1.969 0.000 -3.619) 4.120 3.623 ( -10.706 0.000 5.464) 12.020 3.624 ( -6.629 0.000 12.999) 14.592 3.693 ( -2.218 0.000 1.703) 2.796 3.695 ( 0.554 0.000 7.259) 7.280 3.832 ( -7.712 0.000 7.713) 10.907 3.863 ( -3.397 0.000 -0.347) 3.415 4.155 ( 0.176 0.000 2.380) 2.387 4.167 ( -2.765 0.000 1.077) 2.967 4.283 ( 3.722 0.000 5.198) 6.394 4.367 ( 2.695 0.000 -6.371) 6.918 4.466 ( 4.260 0.000 14.511) 15.123 4.539 ( 4.983 0.000 3.952) 6.360 4.671 ( 1.617 0.000 4.312) 4.606 4.672 ( 5.121 0.000 10.225) 11.436 4.788 ( 3.233 0.000 5.114) 6.050 4.794 ( 6.760 0.000 2.568) 7.232 4.847 ( 7.326 0.000 4.797) 8.757 4.872 ( 1.348 0.000 -2.428) 2.777 4.991 ( -2.321 0.000 -4.526) 5.086 5.011 ( 1.502 0.000 -5.603) 5.801 5.086 ( 3.465 0.000 -1.625) 3.827 5.174 ( 3.303 0.000 -1.585) 3.664 5.209 ( 5.890 0.000 7.474) 9.516 5.229 ( 2.048 0.000 -1.608) 2.604 5.235 ( -5.968 0.000 -5.675) 8.236 5.274 ( -3.698 0.000 -1.732) 4.083 5.304 ( -1.273 0.000 0.102) 1.277 5.469 ( -2.922 0.000 -0.521) 2.968 5.481 ( -2.057 0.000 -4.478) 4.928 5.540 ( 1.027 0.000 -4.158) 4.282 5.584 ( -3.039 0.000 -3.281) 4.472 5.608 ( -0.572 0.000 -0.166) 0.595 5.621 ( -1.138 0.000 -0.290) 1.174 5.657 ( -0.098 0.000 -1.899) 1.902 5.703 ( -2.152 0.000 0.451) 2.198 5.750 ( -1.547 0.000 -4.543) 4.799 5.810 ( -0.995 0.000 0.812) 1.284 5.819 ( -0.793 0.000 -3.004) 3.107 5.833 ( -0.973 0.000 -3.437) 3.572 5.932 ( -2.322 0.000 0.506) 2.377 5.952 ( -2.775 0.000 -1.697) 3.253 5.973 ( -2.628 0.000 1.660) 3.108 6.027 ( -2.931 0.000 -3.057) 4.235 6.073 ( 0.882 0.000 -2.356) 2.516 6.124 ( -0.602 0.000 -2.645) 2.713 6.152 ( -1.441 0.000 -4.030) 4.280 6.167 ( -2.701 0.000 -3.103) 4.114 6.231 ( -3.745 0.000 -4.826) 6.109 6.264 ( 3.680 0.000 -1.593) 4.010 6.405 ( 1.226 0.000 -4.789) 4.943 6.772 ( -1.656 0.000 2.581) 3.067 6.792 ( -1.354 0.000 1.340) 1.905 6.831 ( -0.037 0.000 -0.393) 0.395 6.920 ( -1.394 0.000 -0.603) 1.519 6.985 ( -2.925 0.000 -4.233) 5.145 7.049 ( -2.169 0.000 -3.197) 3.863 7.223 ( 0.666 0.000 0.965) 1.172 7.292 ( -0.362 0.000 -1.920) 1.954 7.331 ( -1.993 0.000 -2.722) 3.374 7.362 ( -2.414 0.000 -3.319) 4.104 7.705 ( 2.881 0.000 -0.072) 2.881 7.756 ( 0.420 0.000 -0.407) 0.585 7.917 ( 1.165 0.000 1.906) 2.234 7.994 ( 1.678 0.000 3.899) 4.245 8.072 ( 1.825 0.000 0.881) 2.027 8.206 ( -3.621 0.000 5.249) 6.376 8.246 ( -0.014 0.000 -0.908) 0.908 8.267 ( -0.138 0.000 -0.771) 0.783 8.459 ( -0.168 0.000 -0.609) 0.632 8.483 ( -0.329 0.000 -0.378) 0.502 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 5.577 0.000 -1.115) 5.687 1.638 ( 11.237 0.000 2.447) 11.500 1.667 ( 13.478 0.000 1.127) 13.525 1.750 ( 13.083 0.000 13.967) 19.137 1.834 ( 8.815 0.000 -7.825) 11.787 1.923 ( 5.503 0.000 -2.454) 6.025 2.006 ( -5.922 0.000 -6.577) 8.850 2.109 ( 11.674 0.000 -7.476) 13.862 2.190 ( -3.836 0.000 -0.936) 3.949 2.219 ( 1.962 0.000 5.023) 5.393 2.288 ( -5.633 0.000 -8.873) 10.510 2.291 ( 0.528 0.000 0.665) 0.849 2.318 ( -0.498 0.000 1.922) 1.985 2.396 ( -4.982 0.000 -2.073) 5.396 2.396 ( 2.239 0.000 2.405) 3.286 2.461 ( 0.917 0.000 -0.642) 1.119 2.636 ( -1.763 0.000 -4.232) 4.584 2.686 ( 4.803 0.000 -5.399) 7.227 2.697 ( 5.973 0.000 11.407) 12.876 2.702 ( -0.909 0.000 -0.370) 0.981 2.796 ( 5.581 0.000 -5.118) 7.572 2.832 ( 1.270 0.000 -0.347) 1.317 2.841 ( -2.703 0.000 -3.500) 4.422 2.886 ( -9.328 0.000 7.601) 12.033 2.922 ( 4.911 0.000 5.785) 7.588 2.936 ( -3.520 0.000 0.918) 3.638 2.963 ( -1.267 0.000 5.927) 6.061 3.011 ( -4.136 0.000 -3.920) 5.699 3.026 ( -3.138 0.000 1.424) 3.446 3.109 ( -2.047 0.000 -2.876) 3.530 3.149 ( -1.042 0.000 0.401) 1.117 3.209 ( 1.419 0.000 -2.291) 2.695 3.244 ( 0.764 0.000 3.896) 3.970 3.273 ( -1.398 0.000 -0.876) 1.650 3.357 ( -9.876 0.000 10.522) 14.431 3.411 ( -1.369 0.000 2.133) 2.534 3.416 ( -5.775 0.000 -3.239) 6.621 3.451 ( -3.819 0.000 2.066) 4.342 3.552 ( -1.632 0.000 1.514) 2.226 3.625 ( -0.424 0.000 -2.283) 2.322 3.785 ( -1.627 0.000 4.004) 4.322 3.805 ( 6.027 0.000 3.202) 6.825 3.815 ( 1.776 0.000 3.833) 4.225 3.830 ( 0.235 0.000 2.379) 2.391 4.180 ( 0.225 0.000 2.673) 2.682 4.185 ( 0.724 0.000 8.263) 8.295 4.293 ( -2.482 0.000 -8.483) 8.839 4.410 ( 3.179 0.000 5.382) 6.251 4.692 ( 3.789 0.000 7.420) 8.331 4.698 ( 5.867 0.000 4.841) 7.607 4.756 ( 5.338 0.000 12.477) 13.572 4.798 ( -0.427 0.000 -1.850) 1.899 4.824 ( 1.896 0.000 8.468) 8.678 4.875 ( -1.541 0.000 -5.499) 5.711 4.893 ( 2.426 0.000 -4.910) 5.477 4.907 ( 0.007 0.000 -9.297) 9.297 4.951 ( 0.647 0.000 0.596) 0.880 5.019 ( -0.684 0.000 -1.255) 1.429 5.060 ( -1.590 0.000 -3.212) 3.584 5.069 ( -3.423 0.000 -1.742) 3.841 5.120 ( -5.313 0.000 -3.820) 6.544 5.161 ( -4.291 0.000 3.552) 5.571 5.234 ( 0.052 0.000 -4.461) 4.462 5.255 ( -1.266 0.000 0.132) 1.273 5.374 ( 4.608 0.000 4.421) 6.386 5.445 ( 1.397 0.000 -1.682) 2.186 5.472 ( -0.661 0.000 -0.677) 0.946 5.485 ( -1.618 0.000 -3.691) 4.030 5.517 ( -0.503 0.000 -2.427) 2.478 5.587 ( -0.508 0.000 -1.590) 1.669 5.647 ( 3.939 0.000 -0.693) 4.000 5.680 ( -0.734 0.000 1.516) 1.685 5.712 ( 0.360 0.000 1.676) 1.714 5.747 ( 2.126 0.000 -0.476) 2.179 5.760 ( 1.258 0.000 -0.612) 1.399 5.792 ( -0.084 0.000 -1.388) 1.390 5.844 ( -1.364 0.000 0.955) 1.665 5.891 ( -0.358 0.000 -0.333) 0.489 5.892 ( -2.032 0.000 -0.209) 2.043 5.935 ( -2.777 0.000 -1.906) 3.368 5.959 ( -0.003 0.000 1.013) 1.013 6.021 ( -4.207 0.000 -1.986) 4.652 6.102 ( -0.231 0.000 -1.216) 1.238 6.103 ( -0.373 0.000 -2.540) 2.567 6.117 ( 0.004 0.000 -1.783) 1.783 6.133 ( -2.372 0.000 -1.940) 3.065 6.323 ( 2.535 0.000 0.163) 2.541 6.378 ( -1.038 0.000 -2.180) 2.415 6.763 ( -0.833 0.000 1.492) 1.709 6.770 ( -0.848 0.000 -0.302) 0.900 6.824 ( -0.131 0.000 -0.364) 0.386 6.892 ( -0.667 0.000 -0.568) 0.876 6.922 ( -0.955 0.000 -1.456) 1.741 7.001 ( -0.807 0.000 -1.247) 1.485 7.237 ( 0.092 0.000 0.689) 0.696 7.257 ( -1.343 0.000 -1.472) 1.993 7.294 ( -0.037 0.000 -0.611) 0.612 7.326 ( -0.227 0.000 -0.939) 0.966 7.743 ( 0.972 0.000 -0.303) 1.018 7.764 ( 0.308 0.000 0.291) 0.424 7.944 ( 0.342 0.000 0.891) 0.954 8.041 ( 0.807 0.000 1.343) 1.567 8.109 ( 1.339 0.000 0.313) 1.375 8.174 ( -1.954 0.000 1.411) 2.411 8.241 ( -0.000 0.000 -0.415) 0.415 8.263 ( 0.010 0.000 -0.117) 0.117 8.453 ( -0.068 0.000 -0.273) 0.282 8.475 ( -0.176 0.000 -0.199) 0.265 ======================= Grid point 7 (5/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 0.000 24.096 0.000) 24.096 0.620 ( 0.000 32.435 0.000) 32.435 0.840 ( 0.000 43.512 0.000) 43.512 0.894 ( 0.000 -21.303 0.000) 21.303 1.211 ( 0.000 -29.677 0.000) 29.677 1.622 ( 0.000 -38.184 0.000) 38.184 1.645 ( 0.000 15.419 0.000) 15.419 1.920 ( 0.000 -12.199 0.000) 12.199 2.079 ( 0.000 0.867 0.000) 0.867 2.109 ( 0.000 4.440 0.000) 4.440 2.135 ( 0.000 8.219 0.000) 8.219 2.278 ( 0.000 10.894 0.000) 10.894 2.334 ( 0.000 -10.518 0.000) 10.518 2.411 ( 0.000 5.381 0.000) 5.381 2.489 ( 0.000 -3.515 0.000) 3.515 2.516 ( 0.000 -2.053 0.000) 2.053 2.600 ( 0.000 0.999 0.000) 0.999 2.617 ( 0.000 1.073 0.000) 1.073 2.668 ( 0.000 3.811 0.000) 3.811 2.686 ( 0.000 1.886 0.000) 1.886 2.740 ( 0.000 -2.207 0.000) 2.207 2.787 ( 0.000 -5.038 0.000) 5.038 2.853 ( 0.000 -0.259 0.000) 0.259 2.877 ( 0.000 0.866 0.000) 0.866 2.933 ( 0.000 -0.861 0.000) 0.861 2.966 ( 0.000 -7.039 0.000) 7.039 3.033 ( 0.000 1.182 0.000) 1.182 3.076 ( 0.000 12.672 0.000) 12.672 3.103 ( 0.000 -4.705 0.000) 4.705 3.159 ( 0.000 2.989 0.000) 2.989 3.211 ( 0.000 9.234 0.000) 9.234 3.258 ( 0.000 8.935 0.000) 8.935 3.269 ( 0.000 0.816 0.000) 0.816 3.397 ( 0.000 3.175 0.000) 3.175 3.447 ( 0.000 -7.561 0.000) 7.561 3.530 ( 0.000 -6.599 0.000) 6.599 3.564 ( 0.000 0.716 0.000) 0.716 3.630 ( 0.000 -7.422 0.000) 7.422 3.711 ( 0.000 -1.052 0.000) 1.052 3.720 ( 0.000 -2.181 0.000) 2.181 3.836 ( 0.000 0.953 0.000) 0.953 3.848 ( 0.000 0.244 0.000) 0.244 3.930 ( 0.000 3.933 0.000) 3.933 4.011 ( 0.000 -3.904 0.000) 3.904 4.208 ( 0.000 0.519 0.000) 0.519 4.208 ( 0.000 0.190 0.000) 0.190 4.261 ( 0.000 3.754 0.000) 3.754 4.320 ( 0.000 -2.472 0.000) 2.472 4.389 ( 0.000 5.111 0.000) 5.111 4.421 ( 0.000 3.207 0.000) 3.207 4.471 ( 0.000 -3.163 0.000) 3.163 4.493 ( 0.000 2.259 0.000) 2.259 4.498 ( 0.000 -3.915 0.000) 3.915 4.529 ( 0.000 -0.630 0.000) 0.630 4.612 ( 0.000 -1.362 0.000) 1.362 4.615 ( 0.000 -1.940 0.000) 1.940 4.901 ( 0.000 -0.009 0.000) 0.009 4.913 ( 0.000 -0.862 0.000) 0.862 4.946 ( 0.000 1.097 0.000) 1.097 4.960 ( 0.000 -0.227 0.000) 0.227 5.139 ( 0.000 2.477 0.000) 2.477 5.213 ( 0.000 -4.414 0.000) 4.414 5.322 ( 0.000 4.359 0.000) 4.359 5.396 ( 0.000 -2.885 0.000) 2.885 5.495 ( 0.000 3.837 0.000) 3.837 5.563 ( 0.000 -2.823 0.000) 2.823 5.608 ( 0.000 0.303 0.000) 0.303 5.615 ( 0.000 -0.377 0.000) 0.377 5.663 ( 0.000 0.301 0.000) 0.301 5.671 ( 0.000 -0.312 0.000) 0.312 5.697 ( 0.000 2.294 0.000) 2.294 5.747 ( 0.000 -2.183 0.000) 2.183 5.787 ( 0.000 1.867 0.000) 1.867 5.819 ( 0.000 -1.414 0.000) 1.414 5.889 ( 0.000 2.108 0.000) 2.108 5.910 ( 0.000 0.050 0.000) 0.050 5.975 ( 0.000 0.348 0.000) 0.348 5.993 ( 0.000 -0.597 0.000) 0.597 6.005 ( 0.000 0.072 0.000) 0.072 6.017 ( 0.000 -1.435 0.000) 1.435 6.077 ( 0.000 0.553 0.000) 0.553 6.095 ( 0.000 -0.594 0.000) 0.594 6.133 ( 0.000 0.442 0.000) 0.442 6.144 ( 0.000 -0.945 0.000) 0.945 6.269 ( 0.000 2.163 0.000) 2.163 6.316 ( 0.000 -2.635 0.000) 2.635 6.391 ( 0.000 0.852 0.000) 0.852 6.398 ( 0.000 -0.051 0.000) 0.051 6.790 ( 0.000 0.266 0.000) 0.266 6.795 ( 0.000 -0.248 0.000) 0.248 6.977 ( 0.000 0.241 0.000) 0.241 6.993 ( 0.000 -1.469 0.000) 1.469 7.141 ( 0.000 2.446 0.000) 2.446 7.170 ( 0.000 -0.540 0.000) 0.540 7.309 ( 0.000 0.135 0.000) 0.135 7.316 ( 0.000 -0.432 0.000) 0.432 7.480 ( 0.000 0.785 0.000) 0.785 7.503 ( 0.000 -1.477 0.000) 1.477 7.616 ( 0.000 1.128 0.000) 1.128 7.644 ( 0.000 -1.789 0.000) 1.789 7.890 ( 0.000 1.778 0.000) 1.778 7.905 ( 0.000 2.612 0.000) 2.612 7.907 ( 0.000 -0.643 0.000) 0.643 7.970 ( 0.000 -2.932 0.000) 2.932 8.267 ( 0.000 0.626 0.000) 0.626 8.279 ( 0.000 -0.603 0.000) 0.603 8.491 ( 0.000 0.141 0.000) 0.141 8.493 ( 0.000 -0.069 0.000) 0.069 ======================= Grid point 8 (6/50) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 13.911 14.960 6.340) 21.390 0.784 ( 28.318 13.848 -9.316) 32.871 1.019 ( 9.652 -20.086 -6.003) 23.079 1.133 ( 9.130 -23.594 -8.981) 26.846 1.338 ( 23.664 30.885 21.654) 44.528 1.700 ( 7.528 13.666 -5.745) 16.627 1.904 ( 13.109 -21.856 9.607) 27.237 1.952 ( 5.098 -11.755 -4.854) 13.701 2.093 ( 0.435 3.384 5.012) 6.063 2.157 ( 2.596 6.512 2.191) 7.345 2.189 ( -1.795 3.116 -2.561) 4.414 2.236 ( 6.373 4.133 4.201) 8.680 2.352 ( -0.892 -4.881 -2.039) 5.365 2.414 ( -0.514 3.177 -4.529) 5.556 2.450 ( 1.834 -1.954 0.812) 2.800 2.476 ( -4.544 1.866 -1.896) 5.266 2.531 ( -1.930 -5.135 -2.604) 6.072 2.577 ( -2.480 -3.163 -5.682) 6.960 2.622 ( -0.570 0.544 -0.407) 0.888 2.684 ( 0.439 -3.224 -2.462) 4.081 2.813 ( 0.564 1.619 -0.034) 1.715 2.828 ( 1.749 0.291 -0.144) 1.779 2.840 ( 2.030 1.959 1.276) 3.096 2.885 ( 2.393 -2.739 0.163) 3.641 2.931 ( 0.645 -0.232 3.214) 3.286 2.987 ( -3.934 -3.457 -0.035) 5.237 3.009 ( -2.945 1.005 -1.845) 3.617 3.059 ( 1.009 -2.819 0.627) 3.059 3.116 ( -3.760 5.281 -1.468) 6.647 3.150 ( -1.111 1.484 3.207) 3.704 3.177 ( -0.679 1.286 2.533) 2.921 3.265 ( 0.312 -1.642 0.528) 1.753 3.346 ( 2.094 6.475 3.671) 7.732 3.383 ( 2.751 6.906 -0.139) 7.435 3.439 ( -0.322 -1.228 4.743) 4.910 3.500 ( -1.528 -2.299 -4.070) 4.918 3.523 ( -6.695 2.189 3.182) 7.730 3.633 ( -5.165 -5.844 7.056) 10.517 3.671 ( -3.068 -0.618 -0.413) 3.157 3.688 ( -5.208 -1.647 0.833) 5.526 3.775 ( -8.255 1.615 6.875) 10.863 3.807 ( -6.043 -0.930 6.579) 8.981 3.879 ( -4.905 1.606 8.450) 9.902 3.934 ( -7.592 -3.226 4.446) 9.371 4.190 ( -0.556 0.219 -1.279) 1.412 4.196 ( -2.367 -1.005 -4.362) 5.063 4.294 ( -0.716 4.247 1.802) 4.669 4.308 ( 3.515 2.938 1.837) 4.936 4.393 ( 0.205 0.003 2.917) 2.924 4.454 ( 1.712 -4.556 6.466) 8.093 4.489 ( 2.267 3.937 3.413) 5.682 4.547 ( 3.449 -1.578 5.846) 6.968 4.603 ( 4.392 -1.832 7.766) 9.109 4.614 ( 4.513 -2.081 5.390) 7.331 4.705 ( 6.675 1.514 2.339) 7.234 4.752 ( 8.371 -2.894 1.545) 8.991 4.976 ( 5.483 1.078 -2.414) 6.087 4.998 ( 7.155 0.214 -3.174) 7.830 5.000 ( 7.394 -0.070 -3.650) 8.246 5.011 ( 6.193 -1.821 -0.533) 6.477 5.157 ( 1.588 2.556 0.259) 3.021 5.217 ( -1.013 -1.006 0.221) 1.445 5.272 ( -2.726 1.362 -0.407) 3.075 5.338 ( -4.483 -3.241 -2.196) 5.952 5.466 ( -4.115 4.770 -1.351) 6.443 5.520 ( -2.246 0.242 -0.842) 2.411 5.572 ( -2.661 0.881 -0.399) 2.831 5.586 ( -3.308 0.606 2.184) 4.010 5.613 ( -0.844 0.672 -1.457) 1.813 5.653 ( -3.073 -1.500 0.235) 3.428 5.690 ( -1.476 2.250 0.091) 2.692 5.724 ( -2.304 -0.800 -1.633) 2.935 5.751 ( -2.249 0.435 -0.848) 2.443 5.778 ( -1.068 -1.725 0.282) 2.048 5.862 ( -2.172 1.088 -2.573) 3.539 5.878 ( -2.835 0.424 -2.269) 3.656 5.908 ( -2.414 2.646 -3.628) 5.098 5.962 ( -3.486 -2.332 -2.451) 4.857 6.020 ( 2.699 1.341 -2.692) 4.041 6.040 ( -0.440 -0.094 -1.336) 1.410 6.047 ( 0.015 0.100 -0.440) 0.452 6.056 ( -1.388 -0.511 1.127) 1.860 6.163 ( 2.516 1.071 -3.378) 4.346 6.194 ( 1.312 -1.823 -2.016) 3.019 6.228 ( -1.887 2.389 -3.248) 4.452 6.267 ( -3.469 -0.997 -2.483) 4.381 6.329 ( -0.935 1.336 -4.778) 5.049 6.373 ( 2.014 -2.882 -9.224) 9.872 6.786 ( -1.330 0.162 2.272) 2.637 6.791 ( -0.997 -0.315 1.678) 1.977 6.904 ( -3.192 4.011 -1.085) 5.240 6.946 ( -2.134 -0.963 -0.536) 2.401 7.077 ( -2.151 1.374 -3.143) 4.049 7.114 ( -3.227 -1.837 -4.222) 5.622 7.261 ( -0.237 4.306 -1.977) 4.744 7.307 ( -0.161 -0.749 -1.970) 2.114 7.389 ( -1.909 1.271 -2.521) 3.408 7.434 ( -3.390 -2.666 -3.966) 5.859 7.662 ( 3.074 2.151 -0.131) 3.755 7.717 ( 2.131 -3.263 -1.470) 4.165 7.900 ( 0.926 2.172 1.978) 3.080 7.932 ( 0.999 -0.303 4.092) 4.223 8.024 ( 2.661 0.844 3.609) 4.563 8.104 ( 1.899 -7.844 10.734) 13.430 8.261 ( -0.289 0.584 -0.553) 0.855 8.273 ( -0.258 -0.594 -0.809) 1.037 8.480 ( -0.543 0.691 -0.474) 0.998 8.489 ( -0.277 -0.263 -0.323) 0.501 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 20.169 -2.369 13.590) 24.436 1.187 ( 12.405 -12.410 3.487) 17.890 1.314 ( 29.695 6.030 -6.676) 31.028 1.460 ( 24.612 -9.093 -9.792) 28.005 1.798 ( 5.572 13.955 -7.806) 16.933 1.893 ( 13.688 15.410 11.019) 23.371 2.010 ( 6.217 4.758 -8.367) 11.458 2.042 ( 7.264 -3.479 -7.268) 10.849 2.168 ( -0.543 -0.445 0.364) 0.791 2.213 ( 0.347 -1.656 4.734) 5.027 2.253 ( 1.380 -1.445 6.509) 6.809 2.295 ( -2.797 -1.520 -3.290) 4.578 2.339 ( -1.652 -2.962 -0.047) 3.391 2.384 ( 2.697 -2.523 -0.498) 3.727 2.416 ( 5.660 4.164 -3.291) 7.760 2.472 ( 1.455 -1.329 -1.633) 2.559 2.567 ( 2.038 -1.074 -3.325) 4.045 2.581 ( 6.984 -3.403 4.342) 8.900 2.657 ( 2.885 0.587 -0.607) 3.006 2.683 ( -0.601 -0.348 -1.883) 2.007 2.757 ( -1.940 0.138 0.401) 1.986 2.827 ( -3.512 -5.958 -4.208) 8.096 2.851 ( -3.757 -0.214 3.661) 5.250 2.878 ( -0.302 -2.652 3.505) 4.405 2.907 ( 2.474 0.717 -0.589) 2.642 2.952 ( -0.834 -2.334 -0.743) 2.587 3.032 ( 0.520 3.357 -2.096) 3.992 3.070 ( 0.991 0.252 -0.005) 1.022 3.071 ( 0.309 2.192 2.293) 3.187 3.126 ( 1.312 -2.826 -0.423) 3.144 3.181 ( -5.060 -1.157 7.484) 9.108 3.240 ( -6.003 -5.288 7.362) 10.872 3.259 ( -11.423 3.538 2.209) 12.161 3.329 ( -7.673 -2.396 1.347) 8.150 3.438 ( -5.394 5.509 0.485) 7.725 3.497 ( -3.963 0.372 -0.288) 3.991 3.519 ( 0.534 -0.089 2.363) 2.425 3.549 ( -0.240 1.001 3.357) 3.512 3.578 ( -6.274 -0.156 3.762) 7.317 3.621 ( -5.896 -0.781 9.824) 11.484 3.687 ( -2.942 2.518 9.554) 10.309 3.739 ( -3.858 -1.286 6.051) 7.290 3.832 ( -3.066 1.436 4.914) 5.968 3.862 ( -4.954 -0.345 4.404) 6.637 4.163 ( 1.733 2.986 0.799) 3.544 4.229 ( 2.110 -1.397 2.421) 3.503 4.270 ( -0.026 3.673 -1.193) 3.862 4.356 ( -0.947 -2.769 -2.752) 4.018 4.494 ( 4.862 3.735 11.339) 12.891 4.562 ( 5.587 -0.146 5.544) 7.872 4.619 ( 3.123 -1.438 8.803) 9.451 4.659 ( 3.581 -2.508 5.249) 6.831 4.752 ( 4.876 -0.570 7.245) 8.751 4.789 ( 6.417 -3.811 8.298) 11.160 4.846 ( 5.152 2.953 -1.714) 6.180 4.893 ( 5.938 -0.680 -2.997) 6.687 4.994 ( -0.735 0.748 -3.988) 4.124 5.012 ( -1.776 0.591 -2.252) 2.928 5.105 ( 1.933 2.133 0.149) 2.882 5.158 ( 0.627 -2.857 1.473) 3.275 5.160 ( -0.030 -1.547 -1.757) 2.341 5.182 ( 0.653 -2.776 -3.029) 4.160 5.253 ( 0.580 0.642 -4.083) 4.174 5.272 ( 0.886 -1.569 -0.832) 1.985 5.373 ( -2.137 6.822 -0.720) 7.185 5.464 ( -1.545 -1.429 -4.630) 5.086 5.506 ( -3.195 1.161 1.791) 3.842 5.543 ( -1.596 -1.838 -3.156) 3.986 5.575 ( -2.441 0.591 -3.141) 4.022 5.586 ( -1.325 -0.387 -1.431) 1.988 5.664 ( 0.268 2.305 -0.018) 2.321 5.672 ( 0.020 1.157 -1.702) 2.058 5.714 ( -1.018 1.478 0.043) 1.795 5.766 ( -0.750 -1.967 -1.780) 2.757 5.784 ( -1.611 0.922 -4.126) 4.524 5.815 ( -1.650 -0.401 -0.305) 1.725 5.842 ( -2.159 0.828 -2.906) 3.714 5.883 ( -1.989 -3.087 -1.016) 3.810 5.974 ( -3.437 1.867 -0.085) 3.912 6.003 ( -2.840 0.038 0.784) 2.946 6.029 ( -1.628 1.456 -3.205) 3.878 6.063 ( -0.024 -1.233 -2.259) 2.574 6.118 ( -2.181 0.048 -2.998) 3.708 6.134 ( -2.306 -1.342 -3.901) 4.726 6.196 ( -0.557 2.163 -3.185) 3.890 6.229 ( -1.059 -1.007 -3.252) 3.565 6.285 ( 1.879 2.905 -3.351) 4.816 6.360 ( 1.418 -4.094 -4.353) 6.142 6.775 ( -1.397 0.316 2.117) 2.556 6.783 ( -1.103 -0.513 1.435) 1.882 6.864 ( -1.130 2.607 -0.500) 2.885 6.906 ( -1.519 -1.545 -0.656) 2.263 6.998 ( -2.673 1.273 -3.864) 4.868 7.028 ( -2.251 -1.749 -3.262) 4.332 7.252 ( -0.096 2.408 -0.298) 2.428 7.286 ( -0.503 -0.856 -1.769) 2.029 7.331 ( -1.854 0.203 -2.604) 3.203 7.347 ( -1.991 -1.307 -2.837) 3.704 7.716 ( 2.369 1.126 -0.192) 2.630 7.741 ( 1.169 -1.305 -0.359) 1.789 7.943 ( 1.311 2.439 2.204) 3.538 7.986 ( 1.572 -1.444 2.963) 3.652 8.086 ( 1.177 2.162 2.469) 3.487 8.155 ( -1.345 -4.408 4.715) 6.593 8.250 ( -0.202 0.438 -0.773) 0.911 8.261 ( -0.200 -0.574 -0.845) 1.041 8.467 ( -0.328 0.689 -0.587) 0.963 8.479 ( -0.354 -0.461 -0.465) 0.745 ======================= Grid point 10 (8/50) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 11.605 -1.963 6.125) 13.269 1.536 ( 11.970 -6.659 9.004) 16.392 1.790 ( 18.954 1.884 -3.034) 19.288 1.812 ( 5.298 10.225 -4.230) 12.268 1.829 ( 13.247 -0.719 -4.151) 13.901 1.973 ( -5.402 -1.878 -6.618) 8.747 2.018 ( 0.758 3.972 -0.775) 4.118 2.114 ( -4.794 -5.739 1.593) 7.645 2.147 ( 6.358 2.178 -4.468) 8.070 2.165 ( -1.329 -2.651 -1.269) 3.226 2.230 ( -4.014 -1.619 -2.311) 4.907 2.273 ( -0.576 -3.712 0.999) 3.887 2.386 ( -0.344 4.807 -1.436) 5.029 2.402 ( -0.853 3.242 -1.646) 3.735 2.431 ( 1.784 1.055 -1.823) 2.760 2.512 ( -1.792 3.038 -1.963) 4.037 2.597 ( 3.623 -5.395 1.336) 6.634 2.643 ( 0.685 -0.009 2.077) 2.187 2.697 ( 2.015 -1.128 -2.534) 3.429 2.745 ( -2.035 -2.276 -3.241) 4.453 2.748 ( 3.453 -0.321 -3.242) 4.747 2.773 ( 5.168 -2.425 -2.787) 6.352 2.878 ( 6.027 2.443 2.887) 7.115 2.898 ( 2.698 1.420 2.737) 4.097 2.914 ( -5.872 2.041 3.241) 7.011 2.966 ( -10.191 0.789 7.740) 12.822 2.992 ( -4.251 -1.050 3.913) 5.872 3.006 ( -6.866 -0.239 10.826) 12.822 3.047 ( -3.122 3.187 0.633) 4.506 3.103 ( 2.613 1.031 0.246) 2.819 3.164 ( 3.980 -1.208 -0.989) 4.275 3.190 ( -1.783 -5.571 3.549) 6.841 3.248 ( 3.662 2.931 -2.504) 5.317 3.280 ( -2.564 3.722 -2.993) 5.421 3.309 ( -1.064 -3.660 4.139) 5.626 3.358 ( -6.406 -3.356 -5.804) 9.273 3.468 ( -3.445 2.279 5.594) 6.954 3.482 ( -0.510 1.276 -0.533) 1.473 3.549 ( -4.601 1.699 4.992) 6.998 3.615 ( -6.442 -2.025 -0.203) 6.756 3.740 ( 2.475 -2.319 2.728) 4.352 3.750 ( 1.618 -2.489 4.009) 4.988 3.858 ( 1.287 3.174 4.016) 5.278 3.882 ( 1.433 1.088 3.129) 3.609 4.175 ( -1.534 0.938 1.067) 2.091 4.220 ( -0.402 -0.725 -5.123) 5.190 4.278 ( -0.796 2.662 0.658) 2.855 4.374 ( 2.255 -4.414 4.458) 6.667 4.641 ( -0.155 -0.588 2.101) 2.187 4.679 ( 0.379 -3.906 2.957) 4.914 4.752 ( 5.739 1.368 9.427) 11.121 4.782 ( 3.213 -1.789 6.767) 7.702 4.861 ( 3.835 2.527 -1.449) 4.816 4.885 ( 3.804 -0.583 -4.646) 6.032 4.898 ( 2.426 3.156 4.140) 5.743 4.963 ( -1.590 3.417 -3.895) 5.420 4.980 ( 3.953 -0.656 2.262) 4.602 5.002 ( -0.619 0.135 0.448) 0.776 5.047 ( -3.315 -0.256 -3.296) 4.681 5.091 ( -4.226 -4.475 0.094) 6.156 5.127 ( -1.989 3.397 -1.781) 4.321 5.165 ( -3.863 4.276 -4.420) 7.263 5.190 ( -0.055 -2.755 0.801) 2.870 5.247 ( -1.314 -2.835 -4.076) 5.136 5.391 ( 1.727 1.492 2.393) 3.307 5.428 ( 0.124 -1.948 -1.627) 2.541 5.463 ( -1.768 0.250 -2.400) 2.991 5.478 ( -1.462 -1.212 -3.088) 3.625 5.543 ( 1.186 2.122 -1.571) 2.895 5.572 ( 0.249 -0.962 -0.526) 1.124 5.688 ( 1.462 2.137 -0.847) 2.725 5.707 ( 1.300 2.813 -0.657) 3.168 5.715 ( 2.248 -0.398 0.808) 2.422 5.758 ( -2.007 1.740 0.626) 2.729 5.763 ( 1.694 -0.933 1.087) 2.219 5.789 ( 1.032 1.301 -2.001) 2.600 5.821 ( 0.116 -2.849 2.174) 3.586 5.835 ( -2.035 -3.041 -0.807) 3.747 5.916 ( -1.855 1.344 -0.719) 2.401 5.935 ( -2.802 -0.347 -1.282) 3.101 5.982 ( -1.058 1.505 0.158) 1.846 6.008 ( -3.025 -1.187 -1.266) 3.488 6.073 ( -0.405 -0.655 -1.995) 2.139 6.081 ( -1.028 -1.538 -1.531) 2.401 6.159 ( -0.492 2.583 -2.439) 3.587 6.169 ( -1.219 1.475 -1.681) 2.547 6.321 ( 1.874 0.277 -0.385) 1.933 6.351 ( -0.090 -2.386 -1.548) 2.846 6.766 ( -0.706 0.265 1.041) 1.285 6.770 ( -0.689 -0.084 0.179) 0.717 6.842 ( -0.514 1.671 -0.449) 1.805 6.876 ( -0.778 -1.563 -0.598) 1.845 6.939 ( -0.902 1.691 -1.398) 2.372 6.978 ( -0.844 -2.101 -1.304) 2.613 7.243 ( -0.413 0.585 -0.064) 0.719 7.253 ( -1.100 -0.402 -1.106) 1.611 7.302 ( 0.018 0.774 -0.536) 0.942 7.318 ( -0.085 -0.799 -0.706) 1.070 7.747 ( 0.775 0.421 -0.159) 0.896 7.757 ( 0.468 -0.579 0.132) 0.756 7.975 ( 0.535 2.953 0.929) 3.141 8.029 ( 0.820 -1.942 1.085) 2.371 8.115 ( 0.562 1.202 0.780) 1.539 8.152 ( -0.952 -2.112 1.416) 2.715 8.242 ( -0.073 0.337 -0.417) 0.541 8.254 ( -0.043 -0.774 -0.288) 0.827 8.459 ( -0.119 0.587 -0.270) 0.657 8.470 ( -0.166 -0.493 -0.229) 0.568 ======================= Grid point 21 (9/50) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 6.907 0.000 29.769) 30.560 0.649 ( -11.249 0.000 30.011) 32.050 0.974 ( 2.697 0.000 44.058) 44.141 1.330 ( -13.153 0.000 12.664) 18.259 1.489 ( -9.037 0.000 5.971) 10.831 1.630 ( -6.872 0.000 -2.592) 7.344 1.666 ( -11.561 0.000 -6.208) 13.122 2.008 ( 2.644 0.000 -0.381) 2.671 2.074 ( 3.928 0.000 4.945) 6.315 2.209 ( 1.740 0.000 3.379) 3.801 2.233 ( -7.646 0.000 2.528) 8.053 2.271 ( -0.409 0.000 3.607) 3.630 2.416 ( 2.762 0.000 6.669) 7.218 2.452 ( -0.185 0.000 -5.043) 5.047 2.502 ( -5.945 0.000 -1.016) 6.031 2.544 ( -0.050 0.000 4.109) 4.110 2.563 ( 2.142 0.000 -5.322) 5.736 2.566 ( -2.256 0.000 0.870) 2.418 2.615 ( -3.158 0.000 1.752) 3.611 2.648 ( 2.349 0.000 0.740) 2.463 2.678 ( 2.954 0.000 -0.253) 2.964 2.845 ( -0.236 0.000 -4.101) 4.108 2.883 ( 6.134 0.000 6.011) 8.588 2.887 ( -6.647 0.000 -2.221) 7.008 2.914 ( 3.105 0.000 5.825) 6.601 2.995 ( 0.013 0.000 -2.359) 2.359 3.010 ( -1.261 0.000 -0.552) 1.376 3.061 ( 4.748 0.000 -3.168) 5.708 3.091 ( 1.329 0.000 0.796) 1.550 3.161 ( 3.117 0.000 8.820) 9.354 3.168 ( -0.012 0.000 4.231) 4.231 3.227 ( 3.506 0.000 3.776) 5.153 3.259 ( -0.833 0.000 1.966) 2.135 3.386 ( 1.476 0.000 -1.386) 2.025 3.459 ( 0.496 0.000 -4.191) 4.221 3.502 ( -3.877 0.000 -7.440) 8.389 3.533 ( 2.482 0.000 -3.054) 3.935 3.625 ( 6.097 0.000 -10.026) 11.734 3.699 ( 12.199 0.000 -8.140) 14.666 3.731 ( 4.499 0.000 -3.924) 5.970 3.798 ( 2.006 0.000 2.339) 3.082 3.814 ( 6.258 0.000 -4.385) 7.641 3.821 ( 8.002 0.000 2.289) 8.323 3.959 ( 9.609 0.000 -6.530) 11.618 4.179 ( -1.226 0.000 -2.754) 3.014 4.201 ( 0.575 0.000 -3.055) 3.109 4.220 ( -1.705 0.000 0.597) 1.807 4.359 ( -3.516 0.000 5.524) 6.548 4.404 ( 3.916 0.000 7.651) 8.595 4.449 ( 1.409 0.000 -0.756) 1.599 4.499 ( 4.775 0.000 7.919) 9.247 4.563 ( 6.852 0.000 2.773) 7.392 4.588 ( 1.693 0.000 3.595) 3.974 4.664 ( 5.793 0.000 8.912) 10.630 4.701 ( -1.125 0.000 5.473) 5.588 4.779 ( 3.815 0.000 9.558) 10.292 4.856 ( -2.948 0.000 -5.381) 6.136 4.963 ( -3.639 0.000 3.126) 4.797 5.005 ( -6.656 0.000 5.425) 8.587 5.039 ( -5.270 0.000 4.974) 7.246 5.154 ( 0.565 0.000 4.063) 4.102 5.216 ( -0.301 0.000 -3.436) 3.450 5.277 ( 2.399 0.000 -0.932) 2.573 5.366 ( -1.437 0.000 -6.440) 6.598 5.419 ( -4.219 0.000 -0.358) 4.234 5.423 ( 2.350 0.000 -2.083) 3.140 5.527 ( 0.583 0.000 -5.295) 5.327 5.615 ( -0.180 0.000 -0.269) 0.323 5.628 ( -0.731 0.000 -2.771) 2.866 5.658 ( 2.002 0.000 -0.799) 2.156 5.664 ( 1.803 0.000 -3.103) 3.589 5.735 ( -1.369 0.000 -1.864) 2.313 5.754 ( 1.670 0.000 -2.569) 3.064 5.806 ( -0.909 0.000 -1.840) 2.052 5.823 ( -3.911 0.000 -6.390) 7.492 5.859 ( -2.764 0.000 -0.954) 2.924 5.878 ( -0.588 0.000 -2.674) 2.738 5.979 ( -0.808 0.000 -2.040) 2.194 5.996 ( 1.212 0.000 -1.373) 1.831 6.031 ( -2.279 0.000 -1.489) 2.722 6.056 ( 3.732 0.000 0.198) 3.738 6.082 ( 1.013 0.000 -1.719) 1.996 6.084 ( 0.232 0.000 0.119) 0.261 6.135 ( -3.775 0.000 0.613) 3.825 6.213 ( -0.536 0.000 -3.022) 3.069 6.228 ( -1.423 0.000 0.733) 1.601 6.347 ( -3.026 0.000 -0.955) 3.174 6.349 ( -7.316 0.000 -3.494) 8.108 6.797 ( 1.112 0.000 -0.097) 1.117 6.830 ( 0.046 0.000 0.272) 0.275 6.981 ( -1.215 0.000 -0.221) 1.234 6.992 ( -7.429 0.000 -4.612) 8.744 7.174 ( -8.087 0.000 2.645) 8.509 7.185 ( -4.164 0.000 1.582) 4.454 7.204 ( 0.057 0.000 1.908) 1.909 7.322 ( -1.746 0.000 0.207) 1.758 7.393 ( -2.066 0.000 -0.612) 2.155 7.468 ( -2.545 0.000 -3.505) 4.331 7.600 ( 0.520 0.000 -0.616) 0.806 7.672 ( 3.613 0.000 -2.062) 4.160 7.835 ( 1.773 0.000 -1.322) 2.212 7.964 ( 2.622 0.000 5.339) 5.949 7.965 ( 2.584 0.000 -3.031) 3.983 8.155 ( 9.123 0.000 -0.607) 9.143 8.298 ( -1.020 0.000 1.142) 1.532 8.351 ( 1.760 0.000 1.596) 2.376 8.462 ( -0.215 0.000 -0.886) 0.912 8.486 ( 0.092 0.000 -0.524) 0.532 ======================= Grid point 22 (10/50) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 9.362 0.000 18.680) 20.895 1.123 ( 16.584 0.000 26.178) 30.989 1.265 ( 0.212 0.000 5.796) 5.800 1.427 ( -2.669 0.000 3.745) 4.598 1.482 ( 1.866 0.000 -5.293) 5.612 1.494 ( -2.115 0.000 0.700) 2.228 1.587 ( 16.556 0.000 29.535) 33.859 2.045 ( 1.465 0.000 -4.888) 5.103 2.054 ( -2.939 0.000 -3.096) 4.269 2.155 ( 0.305 0.000 3.398) 3.412 2.274 ( -3.938 0.000 -9.186) 9.994 2.308 ( 3.817 0.000 5.442) 6.647 2.370 ( -3.923 0.000 -1.791) 4.312 2.406 ( -1.671 0.000 -0.443) 1.729 2.496 ( -0.001 0.000 -1.220) 1.220 2.498 ( -3.149 0.000 0.561) 3.198 2.554 ( 3.294 0.000 3.863) 5.077 2.590 ( -1.242 0.000 -0.976) 1.580 2.646 ( -3.043 0.000 -3.898) 4.945 2.684 ( 0.636 0.000 -1.460) 1.592 2.686 ( 5.748 0.000 7.543) 9.483 2.799 ( -0.610 0.000 -5.835) 5.867 2.852 ( 2.011 0.000 0.794) 2.162 2.918 ( -1.152 0.000 -4.033) 4.194 2.958 ( -1.505 0.000 -1.664) 2.244 2.981 ( -2.857 0.000 0.466) 2.894 3.037 ( -0.454 0.000 0.397) 0.603 3.113 ( -4.457 0.000 0.129) 4.458 3.137 ( 5.849 0.000 7.713) 9.680 3.175 ( -1.075 0.000 -0.868) 1.382 3.188 ( 6.392 0.000 6.826) 9.352 3.333 ( 3.972 0.000 0.120) 3.974 3.372 ( -1.952 0.000 -0.010) 1.952 3.417 ( 3.816 0.000 1.456) 4.084 3.430 ( -6.031 0.000 1.134) 6.136 3.485 ( 4.753 0.000 1.205) 4.904 3.565 ( 5.448 0.000 12.184) 13.346 3.593 ( -0.280 0.000 -8.788) 8.792 3.654 ( -5.890 0.000 -2.133) 6.264 3.794 ( -2.486 0.000 -0.850) 2.628 3.830 ( 0.716 0.000 1.360) 1.537 3.886 ( 0.586 0.000 4.251) 4.291 4.008 ( 4.950 0.000 1.680) 5.227 4.011 ( -3.019 0.000 0.772) 3.116 4.171 ( 0.906 0.000 0.228) 0.934 4.223 ( 4.599 0.000 1.298) 4.779 4.232 ( 2.239 0.000 -1.777) 2.859 4.329 ( -3.536 0.000 6.898) 7.751 4.496 ( 1.558 0.000 3.373) 3.715 4.534 ( 4.113 0.000 7.071) 8.180 4.653 ( 5.161 0.000 3.882) 6.458 4.667 ( 2.722 0.000 3.220) 4.216 4.697 ( 2.234 0.000 -1.559) 2.724 4.742 ( 4.394 0.000 5.791) 7.269 4.816 ( 2.332 0.000 5.254) 5.749 4.855 ( -2.367 0.000 5.205) 5.718 4.919 ( 8.403 0.000 -1.066) 8.470 4.960 ( 5.502 0.000 0.769) 5.556 5.001 ( -0.859 0.000 2.824) 2.951 5.125 ( 8.145 0.000 4.317) 9.218 5.152 ( -3.241 0.000 0.998) 3.391 5.180 ( 0.097 0.000 -0.319) 0.334 5.284 ( -1.203 0.000 -2.619) 2.882 5.328 ( -3.344 0.000 -0.963) 3.480 5.354 ( 1.694 0.000 0.203) 1.706 5.417 ( -1.894 0.000 -3.403) 3.895 5.449 ( -0.810 0.000 -9.027) 9.063 5.548 ( -3.927 0.000 -2.555) 4.685 5.598 ( -3.938 0.000 -6.842) 7.895 5.648 ( -4.848 0.000 -2.776) 5.587 5.649 ( -0.827 0.000 -3.845) 3.933 5.666 ( -1.691 0.000 -1.633) 2.351 5.700 ( -1.918 0.000 -4.124) 4.548 5.730 ( -0.479 0.000 -0.190) 0.516 5.777 ( 1.070 0.000 -3.391) 3.556 5.819 ( -1.697 0.000 -0.933) 1.937 5.826 ( -0.883 0.000 -0.243) 0.916 5.938 ( -2.278 0.000 -3.513) 4.186 5.965 ( -0.644 0.000 -0.975) 1.169 5.989 ( 1.344 0.000 -2.563) 2.894 6.032 ( -1.240 0.000 -3.745) 3.945 6.054 ( -3.089 0.000 1.114) 3.284 6.096 ( -1.454 0.000 -2.025) 2.493 6.133 ( 0.195 0.000 -2.189) 2.198 6.199 ( -1.962 0.000 -0.896) 2.157 6.207 ( -0.516 0.000 -1.464) 1.552 6.257 ( 4.535 0.000 -2.548) 5.202 6.264 ( -4.029 0.000 -2.037) 4.515 6.814 ( 0.454 0.000 -0.319) 0.555 6.829 ( -0.181 0.000 -0.118) 0.216 6.863 ( -3.674 0.000 -0.747) 3.749 6.940 ( -1.772 0.000 -1.288) 2.191 7.062 ( -6.230 0.000 3.145) 6.979 7.090 ( -5.111 0.000 0.555) 5.141 7.232 ( 0.662 0.000 2.377) 2.467 7.295 ( -0.968 0.000 0.324) 1.021 7.342 ( -2.049 0.000 -1.249) 2.400 7.378 ( -3.474 0.000 -2.997) 4.589 7.635 ( 3.010 0.000 -0.961) 3.160 7.709 ( 2.357 0.000 -2.305) 3.297 7.876 ( 2.826 0.000 -0.946) 2.981 8.005 ( 3.329 0.000 -2.812) 4.357 8.034 ( 0.566 0.000 4.300) 4.337 8.211 ( 1.095 0.000 -2.227) 2.482 8.279 ( -1.420 0.000 0.856) 1.658 8.338 ( -3.312 0.000 1.439) 3.611 8.451 ( -0.121 0.000 -0.983) 0.990 8.480 ( -0.214 0.000 -0.642) 0.676 ======================= Grid point 23 (11/50) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 23.308 0.000 5.426) 23.931 1.420 ( 11.121 0.000 -0.064) 11.121 1.477 ( 8.644 0.000 5.026) 9.999 1.520 ( 6.143 0.000 1.767) 6.392 1.613 ( 14.069 0.000 -7.620) 16.000 1.683 ( 16.752 0.000 21.683) 27.401 1.934 ( -0.228 0.000 8.633) 8.636 1.966 ( -1.948 0.000 -9.737) 9.930 2.036 ( 5.640 0.000 -10.301) 11.744 2.116 ( -1.422 0.000 -8.357) 8.477 2.292 ( 4.109 0.000 5.429) 6.808 2.324 ( 0.161 0.000 0.739) 0.756 2.352 ( -9.032 0.000 -7.377) 11.661 2.393 ( -2.258 0.000 -6.207) 6.605 2.414 ( 0.526 0.000 1.450) 1.543 2.445 ( 3.290 0.000 1.677) 3.692 2.506 ( -3.583 0.000 -4.542) 5.785 2.536 ( 0.393 0.000 -8.002) 8.012 2.631 ( 3.941 0.000 1.472) 4.207 2.695 ( 1.744 0.000 -4.265) 4.608 2.756 ( 2.163 0.000 1.594) 2.687 2.821 ( -4.801 0.000 -7.898) 9.243 2.850 ( 1.158 0.000 -0.264) 1.188 2.913 ( -1.507 0.000 0.885) 1.748 2.965 ( 1.942 0.000 2.843) 3.443 2.991 ( 2.488 0.000 6.060) 6.551 3.025 ( -1.194 0.000 -0.512) 1.299 3.060 ( 0.396 0.000 6.172) 6.185 3.094 ( -5.725 0.000 1.981) 6.058 3.221 ( -8.463 0.000 -1.410) 8.580 3.272 ( -2.096 0.000 -0.182) 2.104 3.296 ( 0.881 0.000 5.237) 5.311 3.366 ( -0.149 0.000 5.421) 5.423 3.384 ( 0.894 0.000 -3.299) 3.418 3.417 ( -4.257 0.000 2.016) 4.711 3.499 ( -2.578 0.000 -8.789) 9.159 3.560 ( -1.467 0.000 3.491) 3.787 3.649 ( -5.871 0.000 6.453) 8.724 3.684 ( 5.868 0.000 5.389) 7.966 3.710 ( -9.849 0.000 9.888) 13.956 3.846 ( -0.706 0.000 3.944) 4.007 3.898 ( -2.147 0.000 6.622) 6.961 3.915 ( -8.040 0.000 8.428) 11.648 4.013 ( -6.518 0.000 6.951) 9.529 4.199 ( -2.011 0.000 -5.856) 6.191 4.208 ( -0.741 0.000 0.348) 0.818 4.323 ( -2.762 0.000 5.392) 6.059 4.346 ( 5.913 0.000 -0.586) 5.942 4.596 ( 7.544 0.000 0.247) 7.548 4.668 ( 4.516 0.000 -2.498) 5.161 4.732 ( 2.288 0.000 -2.315) 3.255 4.734 ( 3.452 0.000 -1.064) 3.612 4.789 ( 6.237 0.000 6.782) 9.214 4.802 ( 1.491 0.000 0.444) 1.556 4.876 ( 2.053 0.000 0.691) 2.166 4.918 ( 2.370 0.000 6.448) 6.870 5.002 ( -5.394 0.000 2.060) 5.774 5.017 ( 1.721 0.000 -0.153) 1.728 5.029 ( -0.674 0.000 -2.697) 2.780 5.124 ( 2.831 0.000 -2.281) 3.635 5.131 ( -5.180 0.000 -3.092) 6.033 5.168 ( -0.007 0.000 -4.133) 4.133 5.280 ( -1.075 0.000 -1.485) 1.834 5.298 ( -1.438 0.000 -0.658) 1.582 5.321 ( 0.731 0.000 0.304) 0.792 5.362 ( -2.905 0.000 -1.401) 3.225 5.413 ( 0.138 0.000 -6.305) 6.307 5.446 ( 0.714 0.000 -5.709) 5.754 5.483 ( -0.649 0.000 0.033) 0.650 5.588 ( -0.174 0.000 -1.884) 1.892 5.593 ( -1.607 0.000 -2.716) 3.156 5.642 ( 3.885 0.000 1.392) 4.127 5.672 ( 1.706 0.000 -1.375) 2.191 5.749 ( -0.669 0.000 3.243) 3.312 5.788 ( 0.426 0.000 0.962) 1.052 5.809 ( -0.783 0.000 2.504) 2.623 5.821 ( 1.737 0.000 -0.181) 1.747 5.890 ( -0.455 0.000 -3.309) 3.340 5.939 ( -2.077 0.000 -0.104) 2.080 5.974 ( -1.955 0.000 -2.010) 2.804 5.991 ( -1.903 0.000 -0.773) 2.054 6.021 ( 1.431 0.000 -0.793) 1.636 6.051 ( 0.131 0.000 -2.835) 2.838 6.111 ( 0.603 0.000 -0.626) 0.869 6.118 ( -4.906 0.000 -2.102) 5.337 6.174 ( -3.238 0.000 -0.899) 3.360 6.263 ( 3.636 0.000 1.186) 3.825 6.316 ( 3.237 0.000 -3.135) 4.506 6.788 ( -1.865 0.000 -1.500) 2.393 6.823 ( -1.277 0.000 1.216) 1.764 6.825 ( -0.099 0.000 0.049) 0.111 6.902 ( -0.998 0.000 -0.727) 1.235 6.980 ( -4.383 0.000 3.648) 5.703 7.018 ( -2.530 0.000 0.919) 2.692 7.250 ( -0.369 0.000 0.801) 0.882 7.278 ( -2.031 0.000 -0.285) 2.051 7.305 ( -0.612 0.000 1.276) 1.416 7.319 ( -0.289 0.000 -0.405) 0.497 7.686 ( 2.952 0.000 -1.577) 3.347 7.735 ( 1.787 0.000 -1.803) 2.538 7.915 ( 1.876 0.000 -1.858) 2.640 8.043 ( 2.868 0.000 -3.372) 4.426 8.057 ( -0.539 0.000 1.674) 1.759 8.198 ( -0.614 0.000 -2.980) 3.043 8.255 ( -1.614 0.000 1.051) 1.926 8.291 ( -1.992 0.000 1.828) 2.703 8.444 ( 0.163 0.000 -0.698) 0.716 8.470 ( -0.132 0.000 -0.763) 0.774 ======================= Grid point 24 (12/50) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 5.054 0.000 4.091) 6.503 1.684 ( 20.223 0.000 -0.604) 20.232 1.725 ( 5.498 0.000 3.259) 6.391 1.741 ( 8.649 0.000 1.196) 8.731 1.802 ( -4.726 0.000 -5.009) 6.887 1.860 ( 15.335 0.000 -12.049) 19.502 1.922 ( 2.248 0.000 0.986) 2.455 2.035 ( -2.018 0.000 -8.105) 8.352 2.083 ( 3.773 0.000 4.040) 5.528 2.090 ( 6.994 0.000 -13.478) 15.185 2.192 ( 9.986 0.000 1.442) 10.089 2.219 ( -2.080 0.000 -6.863) 7.171 2.304 ( -2.645 0.000 -5.305) 5.927 2.355 ( -3.038 0.000 0.164) 3.042 2.424 ( 1.743 0.000 -2.874) 3.361 2.478 ( 2.296 0.000 -3.372) 4.080 2.515 ( 2.711 0.000 -7.690) 8.154 2.521 ( 1.288 0.000 0.732) 1.481 2.610 ( 2.337 0.000 -7.312) 7.676 2.639 ( -2.184 0.000 -10.914) 11.130 2.755 ( 4.919 0.000 3.296) 5.922 2.858 ( -2.814 0.000 3.461) 4.461 2.863 ( 1.224 0.000 -3.956) 4.141 2.917 ( 3.926 0.000 -7.557) 8.516 2.941 ( -6.699 0.000 1.065) 6.783 2.966 ( -4.064 0.000 -3.464) 5.340 2.994 ( -4.936 0.000 6.149) 7.886 3.063 ( -4.831 0.000 1.267) 4.994 3.091 ( -0.756 0.000 6.742) 6.784 3.104 ( 0.198 0.000 3.563) 3.569 3.209 ( -4.864 0.000 -11.107) 12.125 3.214 ( 1.723 0.000 5.431) 5.698 3.296 ( -12.054 0.000 11.757) 16.838 3.380 ( -7.233 0.000 6.139) 9.487 3.433 ( 0.622 0.000 4.169) 4.215 3.482 ( 1.372 0.000 3.295) 3.569 3.528 ( -12.367 0.000 11.342) 16.781 3.588 ( -5.625 0.000 7.155) 9.101 3.598 ( 1.498 0.000 1.495) 2.117 3.682 ( -5.592 0.000 3.831) 6.779 3.811 ( -4.962 0.000 0.723) 5.014 3.854 ( -6.144 0.000 -1.005) 6.226 3.868 ( -4.422 0.000 1.970) 4.841 3.870 ( -10.371 0.000 0.773) 10.400 4.127 ( -0.103 0.000 -2.591) 2.594 4.152 ( -0.978 0.000 -4.250) 4.361 4.307 ( 0.164 0.000 -0.397) 0.430 4.368 ( -2.306 0.000 -6.546) 6.941 4.646 ( -0.037 0.000 -5.790) 5.790 4.689 ( -0.210 0.000 -7.180) 7.183 4.712 ( -6.163 0.000 -9.466) 11.296 4.721 ( 2.055 0.000 -4.905) 5.318 4.841 ( -1.446 0.000 2.396) 2.798 4.904 ( -2.171 0.000 -4.935) 5.392 4.922 ( 4.573 0.000 4.092) 6.136 4.958 ( -4.350 0.000 -5.396) 6.931 5.015 ( 6.318 0.000 3.759) 7.352 5.018 ( 3.333 0.000 6.122) 6.970 5.041 ( 3.492 0.000 7.285) 8.078 5.083 ( -0.490 0.000 4.098) 4.127 5.092 ( 1.665 0.000 2.004) 2.605 5.118 ( -2.596 0.000 0.871) 2.738 5.266 ( -0.819 0.000 1.445) 1.661 5.281 ( -1.526 0.000 0.016) 1.527 5.361 ( -2.366 0.000 -8.101) 8.440 5.371 ( 8.089 0.000 -5.660) 9.873 5.407 ( 3.437 0.000 -0.463) 3.468 5.425 ( 5.995 0.000 2.465) 6.482 5.521 ( -0.463 0.000 1.591) 1.657 5.570 ( 2.420 0.000 -2.300) 3.339 5.601 ( 1.892 0.000 -2.261) 2.948 5.718 ( -2.457 0.000 1.668) 2.970 5.735 ( 2.000 0.000 1.005) 2.238 5.752 ( 0.486 0.000 0.613) 0.782 5.790 ( -0.163 0.000 2.868) 2.873 5.815 ( -1.061 0.000 2.302) 2.535 5.849 ( -3.176 0.000 0.209) 3.182 5.888 ( 3.251 0.000 0.549) 3.297 5.905 ( 0.589 0.000 0.994) 1.155 5.928 ( -2.136 0.000 0.464) 2.186 5.971 ( 1.582 0.000 0.127) 1.587 5.996 ( -4.313 0.000 -0.665) 4.364 6.064 ( 2.338 0.000 -0.718) 2.445 6.081 ( 3.245 0.000 2.219) 3.931 6.144 ( 1.756 0.000 1.179) 2.115 6.149 ( 0.800 0.000 2.536) 2.659 6.337 ( 1.806 0.000 0.367) 1.843 6.348 ( 2.489 0.000 0.253) 2.502 6.750 ( -0.924 0.000 -0.524) 1.062 6.805 ( -1.604 0.000 1.664) 2.311 6.829 ( 0.181 0.000 0.783) 0.804 6.895 ( 0.124 0.000 0.810) 0.820 6.954 ( -1.125 0.000 4.076) 4.229 7.007 ( 0.112 0.000 2.207) 2.210 7.237 ( -0.833 0.000 -0.512) 0.978 7.258 ( 0.570 0.000 1.131) 1.267 7.318 ( -0.023 0.000 2.626) 2.626 7.335 ( 0.641 0.000 2.068) 2.165 7.722 ( 1.848 0.000 -1.549) 2.411 7.748 ( 0.821 0.000 -1.783) 1.963 7.916 ( 0.259 0.000 -3.277) 3.287 8.040 ( -1.224 0.000 -1.499) 1.936 8.060 ( 1.956 0.000 -4.908) 5.283 8.142 ( -1.691 0.000 -3.920) 4.269 8.249 ( -0.147 0.000 1.447) 1.455 8.282 ( -0.584 0.000 1.680) 1.779 8.447 ( 0.478 0.000 -0.190) 0.515 8.467 ( 0.349 0.000 -0.604) 0.697 ======================= Grid point 25 (13/50) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -19.573 0.000 -10.897) 22.401 1.555 ( -14.562 0.000 -6.622) 15.997 1.666 ( -5.136 0.000 4.007) 6.514 1.690 ( -6.330 0.000 4.777) 7.930 1.956 ( 0.911 0.000 2.852) 2.994 1.997 ( -1.154 0.000 -2.656) 2.896 2.081 ( 6.693 0.000 -5.046) 8.382 2.137 ( 5.312 0.000 4.812) 7.167 2.139 ( 5.255 0.000 -4.415) 6.864 2.180 ( 8.006 0.000 -2.432) 8.367 2.189 ( 0.601 0.000 -6.375) 6.404 2.230 ( 0.913 0.000 -3.128) 3.259 2.312 ( -1.073 0.000 3.383) 3.549 2.335 ( 3.805 0.000 -3.889) 5.441 2.364 ( -0.207 0.000 -8.237) 8.240 2.483 ( -1.146 0.000 0.310) 1.187 2.564 ( 6.591 0.000 -10.181) 12.128 2.582 ( 10.955 0.000 -6.460) 12.718 2.653 ( -0.714 0.000 1.915) 2.043 2.661 ( 4.303 0.000 -8.822) 9.815 2.750 ( -0.412 0.000 -0.007) 0.412 2.800 ( -1.051 0.000 -2.433) 2.651 2.818 ( 2.026 0.000 -2.341) 3.096 2.857 ( -2.472 0.000 -2.402) 3.446 2.861 ( -0.142 0.000 -0.084) 0.165 2.944 ( -0.147 0.000 -5.074) 5.076 2.952 ( 1.700 0.000 1.410) 2.209 3.022 ( 1.010 0.000 -2.078) 2.310 3.058 ( -3.121 0.000 1.293) 3.379 3.127 ( -4.732 0.000 10.469) 11.489 3.196 ( 4.965 0.000 -2.780) 5.690 3.229 ( -0.508 0.000 9.075) 9.089 3.238 ( -3.581 0.000 3.073) 4.719 3.315 ( 0.537 0.000 7.013) 7.033 3.319 ( -11.444 0.000 -1.830) 11.589 3.441 ( -5.963 0.000 1.976) 6.282 3.521 ( -9.326 0.000 -0.303) 9.331 3.533 ( -7.270 0.000 5.891) 9.358 3.557 ( -1.236 0.000 3.344) 3.565 3.591 ( -1.868 0.000 -2.010) 2.745 3.671 ( -7.959 0.000 -7.237) 10.757 3.717 ( 0.532 0.000 2.440) 2.498 3.719 ( -1.994 0.000 -5.710) 6.048 3.762 ( -4.307 0.000 -1.225) 4.477 4.136 ( -0.002 0.000 -0.354) 0.354 4.178 ( 3.202 0.000 7.335) 8.003 4.247 ( -1.830 0.000 -6.359) 6.617 4.304 ( 0.091 0.000 -9.400) 9.400 4.506 ( -3.484 0.000 -3.468) 4.915 4.542 ( -4.961 0.000 -9.133) 10.393 4.654 ( -0.622 0.000 -0.899) 1.094 4.657 ( -4.453 0.000 -6.899) 8.211 4.781 ( -5.770 0.000 -6.339) 8.572 4.821 ( -2.861 0.000 -7.380) 7.915 4.834 ( 2.970 0.000 0.381) 2.994 4.862 ( -6.745 0.000 -10.260) 12.278 5.081 ( 2.043 0.000 0.225) 2.056 5.115 ( 0.254 0.000 -1.099) 1.128 5.153 ( 1.523 0.000 9.693) 9.812 5.155 ( 1.336 0.000 3.122) 3.396 5.192 ( 2.592 0.000 7.180) 7.634 5.242 ( 0.983 0.000 4.245) 4.357 5.244 ( -0.265 0.000 -1.074) 1.106 5.292 ( 0.488 0.000 2.411) 2.460 5.294 ( 4.506 0.000 1.947) 4.909 5.467 ( 1.173 0.000 -0.290) 1.209 5.502 ( -1.654 0.000 1.684) 2.360 5.512 ( 7.659 0.000 -1.046) 7.730 5.552 ( 3.578 0.000 1.678) 3.952 5.610 ( -0.051 0.000 -0.649) 0.651 5.622 ( 2.042 0.000 0.767) 2.181 5.665 ( -1.352 0.000 -1.144) 1.771 5.730 ( -0.484 0.000 1.227) 1.319 5.752 ( 1.185 0.000 -0.286) 1.219 5.761 ( -2.772 0.000 -0.022) 2.772 5.822 ( 1.269 0.000 1.596) 2.039 5.844 ( 1.505 0.000 1.265) 1.966 5.890 ( -0.840 0.000 -1.632) 1.835 5.914 ( 0.703 0.000 1.044) 1.259 5.934 ( -0.517 0.000 -0.681) 0.854 5.998 ( 4.156 0.000 2.697) 4.955 6.049 ( 3.668 0.000 1.007) 3.804 6.119 ( 2.634 0.000 1.660) 3.113 6.177 ( 0.927 0.000 0.305) 0.976 6.194 ( 2.980 0.000 5.996) 6.696 6.236 ( 3.842 0.000 6.439) 7.498 6.330 ( -1.587 0.000 -0.527) 1.672 6.419 ( 2.664 0.000 2.193) 3.450 6.749 ( 0.589 0.000 1.463) 1.577 6.793 ( -0.954 0.000 2.050) 2.261 6.838 ( -0.054 0.000 0.707) 0.709 6.908 ( 0.426 0.000 0.546) 0.692 7.003 ( 2.199 0.000 5.149) 5.599 7.051 ( 1.797 0.000 3.639) 4.058 7.227 ( -0.126 0.000 0.136) 0.186 7.311 ( 3.033 0.000 3.154) 4.376 7.344 ( -0.142 0.000 3.936) 3.939 7.373 ( 1.156 0.000 3.535) 3.719 7.733 ( -0.700 0.000 -1.381) 1.548 7.742 ( 1.104 0.000 -1.155) 1.598 7.881 ( -0.401 0.000 -4.516) 4.534 7.985 ( -2.138 0.000 -3.884) 4.433 8.039 ( 0.620 0.000 -7.199) 7.226 8.082 ( -0.572 0.000 -5.791) 5.819 8.262 ( 0.077 0.000 1.685) 1.687 8.291 ( -0.123 0.000 2.294) 2.297 8.458 ( 0.525 0.000 0.216) 0.568 8.473 ( 0.653 0.000 -0.434) 0.784 ======================= Grid point 26 (14/50) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -22.693 0.000 -3.973) 23.038 1.023 ( -26.240 0.000 -13.490) 29.505 1.664 ( -2.115 0.000 12.016) 12.200 1.665 ( -5.547 0.000 10.211) 11.621 1.739 ( -27.367 0.000 14.913) 31.166 1.822 ( -15.198 0.000 10.110) 18.253 2.029 ( -2.710 0.000 -9.595) 9.970 2.077 ( -4.588 0.000 -4.665) 6.543 2.091 ( -11.545 0.000 2.810) 11.882 2.144 ( 1.092 0.000 -4.940) 5.059 2.255 ( 4.350 0.000 -0.247) 4.357 2.293 ( 1.425 0.000 -6.647) 6.798 2.351 ( 8.540 0.000 5.004) 9.899 2.411 ( 4.713 0.000 3.286) 5.745 2.437 ( -3.738 0.000 -3.148) 4.887 2.467 ( -1.336 0.000 0.579) 1.456 2.530 ( 8.518 0.000 5.294) 10.029 2.672 ( -3.743 0.000 -0.591) 3.789 2.674 ( 2.205 0.000 -2.381) 3.246 2.745 ( 3.020 0.000 -4.638) 5.535 2.748 ( 1.434 0.000 -5.524) 5.707 2.813 ( -5.204 0.000 1.145) 5.328 2.857 ( -0.821 0.000 2.050) 2.208 2.887 ( 5.776 0.000 3.173) 6.590 2.908 ( 4.457 0.000 -8.073) 9.222 2.968 ( -4.542 0.000 -2.337) 5.108 2.991 ( 13.467 0.000 -4.506) 14.200 3.004 ( 4.249 0.000 -9.328) 10.250 3.016 ( -2.129 0.000 -0.110) 2.132 3.090 ( -4.683 0.000 1.884) 5.048 3.154 ( 6.696 0.000 -6.978) 9.671 3.240 ( -2.886 0.000 0.081) 2.887 3.266 ( -2.218 0.000 5.211) 5.663 3.305 ( -2.883 0.000 0.074) 2.884 3.314 ( -1.601 0.000 2.081) 2.625 3.338 ( 5.616 0.000 -3.812) 6.788 3.404 ( 4.389 0.000 -5.066) 6.703 3.444 ( 2.952 0.000 -11.550) 11.921 3.475 ( -5.686 0.000 0.922) 5.760 3.543 ( 1.640 0.000 3.899) 4.230 3.645 ( 3.135 0.000 2.902) 4.271 3.697 ( 3.978 0.000 -0.770) 4.052 3.754 ( 3.503 0.000 -4.962) 6.073 3.804 ( 1.297 0.000 1.230) 1.788 4.113 ( 1.342 0.000 -0.893) 1.612 4.199 ( -0.349 0.000 -6.692) 6.701 4.245 ( 1.467 0.000 1.601) 2.172 4.300 ( 1.206 0.000 7.424) 7.521 4.410 ( -2.069 0.000 -6.535) 6.855 4.459 ( -3.276 0.000 1.584) 3.639 4.499 ( -4.253 0.000 -5.649) 7.071 4.545 ( -4.280 0.000 -6.491) 7.775 4.649 ( -5.581 0.000 -7.228) 9.132 4.673 ( -5.789 0.000 -7.034) 9.110 4.720 ( -0.115 0.000 -2.729) 2.732 4.894 ( -2.327 0.000 -3.766) 4.427 5.057 ( 3.428 0.000 -0.080) 3.429 5.085 ( 0.038 0.000 -0.755) 0.756 5.129 ( -5.290 0.000 2.858) 6.013 5.196 ( -4.671 0.000 8.449) 9.654 5.220 ( -1.453 0.000 2.432) 2.833 5.264 ( -6.333 0.000 0.729) 6.375 5.304 ( 0.868 0.000 1.143) 1.435 5.306 ( -3.132 0.000 2.156) 3.802 5.374 ( 4.654 0.000 6.103) 7.675 5.472 ( 3.026 0.000 -5.229) 6.041 5.485 ( 1.709 0.000 1.343) 2.174 5.577 ( -2.232 0.000 0.305) 2.253 5.599 ( 0.244 0.000 -0.604) 0.651 5.609 ( 0.822 0.000 0.144) 0.835 5.654 ( 1.402 0.000 2.321) 2.711 5.690 ( 3.350 0.000 0.779) 3.439 5.740 ( 2.058 0.000 2.248) 3.048 5.773 ( -0.253 0.000 -1.876) 1.893 5.799 ( 2.872 0.000 -0.201) 2.879 5.864 ( 3.679 0.000 -1.360) 3.922 5.884 ( 2.354 0.000 2.216) 3.233 5.932 ( 4.354 0.000 0.247) 4.361 5.958 ( 2.255 0.000 1.045) 2.486 5.970 ( 3.759 0.000 0.254) 3.767 6.036 ( -0.537 0.000 -2.077) 2.145 6.101 ( 0.789 0.000 0.170) 0.807 6.169 ( 0.890 0.000 -3.222) 3.343 6.206 ( 2.691 0.000 -0.381) 2.718 6.256 ( -0.667 0.000 4.568) 4.616 6.280 ( -3.047 0.000 1.448) 3.373 6.355 ( 2.147 0.000 5.633) 6.028 6.481 ( 2.147 0.000 0.986) 2.362 6.783 ( -0.769 0.000 2.800) 2.904 6.828 ( 3.609 0.000 7.742) 8.542 6.835 ( -0.484 0.000 0.095) 0.493 6.925 ( 1.402 0.000 0.203) 1.417 7.099 ( 2.261 0.000 5.228) 5.696 7.126 ( 3.044 0.000 3.575) 4.695 7.229 ( -0.551 0.000 1.300) 1.412 7.357 ( -1.154 0.000 3.746) 3.920 7.403 ( 1.300 0.000 3.698) 3.920 7.443 ( 3.557 0.000 3.533) 5.014 7.689 ( -2.394 0.000 -1.380) 2.763 7.766 ( 1.506 0.000 0.766) 1.689 7.843 ( 0.396 0.000 -3.795) 3.816 7.905 ( -2.295 0.000 -4.464) 5.020 7.966 ( -0.851 0.000 -12.836) 12.864 8.021 ( -0.799 0.000 -6.115) 6.167 8.275 ( -0.103 0.000 1.738) 1.741 8.309 ( -0.168 0.000 2.768) 2.773 8.468 ( 0.278 0.000 0.204) 0.345 8.482 ( 0.550 0.000 -0.528) 0.762 ======================= Grid point 27 (15/50) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -16.080 0.000 12.968) 20.658 0.564 ( -17.862 0.000 14.102) 22.757 1.203 ( -37.484 0.000 29.198) 47.514 1.541 ( -18.038 0.000 15.241) 23.614 1.656 ( -11.418 0.000 11.564) 16.251 1.737 ( -3.123 0.000 4.648) 5.599 1.887 ( -5.887 0.000 -3.225) 6.712 1.961 ( 2.142 0.000 -2.972) 3.664 1.988 ( -0.095 0.000 -3.979) 3.981 2.214 ( 1.438 0.000 -0.641) 1.574 2.260 ( -1.203 0.000 10.512) 10.581 2.327 ( -1.489 0.000 4.094) 4.356 2.335 ( -4.989 0.000 0.691) 5.037 2.412 ( 0.840 0.000 -0.359) 0.914 2.525 ( -1.578 0.000 -3.894) 4.201 2.534 ( 2.699 0.000 5.425) 6.059 2.561 ( 0.261 0.000 3.331) 3.341 2.609 ( -0.325 0.000 -4.411) 4.423 2.655 ( 3.078 0.000 -4.861) 5.754 2.665 ( -5.065 0.000 3.150) 5.964 2.716 ( -3.549 0.000 -1.773) 3.967 2.840 ( -2.820 0.000 -1.011) 2.996 2.848 ( -0.346 0.000 -3.306) 3.324 2.891 ( -0.067 0.000 2.998) 2.999 2.902 ( 5.074 0.000 11.046) 12.155 2.934 ( 2.000 0.000 -7.118) 7.394 3.010 ( 0.725 0.000 -1.739) 1.884 3.028 ( -2.692 0.000 1.997) 3.352 3.097 ( -3.574 0.000 -5.380) 6.459 3.118 ( 0.494 0.000 2.844) 2.887 3.119 ( 4.421 0.000 -0.049) 4.422 3.191 ( -2.611 0.000 -4.093) 4.855 3.237 ( 3.093 0.000 3.276) 4.505 3.375 ( 6.794 0.000 -4.382) 8.084 3.431 ( 8.648 0.000 1.590) 8.793 3.438 ( 10.727 0.000 -7.464) 13.069 3.464 ( 3.389 0.000 -6.116) 6.993 3.540 ( 12.271 0.000 -14.741) 19.179 3.563 ( 11.549 0.000 -1.355) 11.628 3.646 ( 7.836 0.000 -4.218) 8.899 3.679 ( -2.102 0.000 -6.912) 7.225 3.738 ( 2.433 0.000 4.424) 5.049 3.772 ( -0.643 0.000 -0.616) 0.890 3.838 ( 8.212 0.000 -7.713) 11.266 4.190 ( 2.725 0.000 2.255) 3.537 4.222 ( 1.703 0.000 3.378) 3.783 4.246 ( -1.966 0.000 0.089) 1.968 4.297 ( -0.472 0.000 -2.603) 2.645 4.405 ( 2.395 0.000 -1.662) 2.915 4.409 ( -4.443 0.000 2.625) 5.160 4.438 ( 2.206 0.000 -1.397) 2.611 4.502 ( 3.820 0.000 2.839) 4.759 4.524 ( -3.461 0.000 -3.474) 4.904 4.558 ( -0.555 0.000 -0.295) 0.629 4.700 ( -1.884 0.000 2.622) 3.228 4.760 ( -5.308 0.000 -0.731) 5.358 5.035 ( -6.139 0.000 3.702) 7.168 5.038 ( -8.021 0.000 -4.656) 9.275 5.098 ( -4.314 0.000 5.656) 7.114 5.122 ( -6.868 0.000 6.158) 9.224 5.150 ( -5.043 0.000 5.214) 7.253 5.209 ( 3.524 0.000 0.812) 3.616 5.248 ( -0.713 0.000 -3.020) 3.103 5.364 ( 3.622 0.000 -0.542) 3.663 5.459 ( -0.295 0.000 4.114) 4.124 5.469 ( -1.985 0.000 -5.129) 5.500 5.525 ( 1.070 0.000 -2.513) 2.731 5.581 ( 5.569 0.000 -1.149) 5.686 5.619 ( 2.231 0.000 -1.003) 2.447 5.648 ( 2.243 0.000 0.351) 2.271 5.680 ( -0.958 0.000 0.849) 1.280 5.742 ( 1.087 0.000 -2.113) 2.376 5.758 ( 0.903 0.000 -1.347) 1.622 5.785 ( 1.329 0.000 1.407) 1.935 5.832 ( 1.149 0.000 -1.305) 1.739 5.908 ( 0.636 0.000 -1.731) 1.845 5.913 ( -0.922 0.000 -0.737) 1.181 5.987 ( -0.170 0.000 -1.180) 1.192 6.000 ( 0.598 0.000 0.183) 0.626 6.021 ( 0.483 0.000 -3.293) 3.328 6.031 ( 4.538 0.000 -0.029) 4.538 6.082 ( -1.919 0.000 -0.848) 2.098 6.114 ( 0.571 0.000 -9.182) 9.200 6.207 ( -2.138 0.000 0.022) 2.138 6.252 ( -2.073 0.000 2.493) 3.242 6.257 ( -1.566 0.000 0.391) 1.614 6.390 ( -1.406 0.000 2.023) 2.463 6.485 ( -1.984 0.000 -3.461) 3.989 6.783 ( -0.291 0.000 1.145) 1.181 6.828 ( -0.173 0.000 0.148) 0.228 6.969 ( 1.752 0.000 1.357) 2.216 7.062 ( 6.845 0.000 7.477) 10.137 7.156 ( 2.143 0.000 5.911) 6.288 7.214 ( -1.734 0.000 0.946) 1.975 7.228 ( 4.548 0.000 3.085) 5.495 7.350 ( -1.713 0.000 1.836) 2.511 7.422 ( -1.074 0.000 1.587) 1.917 7.509 ( 0.763 0.000 -0.802) 1.107 7.628 ( -2.395 0.000 -0.627) 2.475 7.733 ( -7.774 0.000 -12.920) 15.078 7.839 ( -0.445 0.000 -2.655) 2.692 7.871 ( 2.785 0.000 1.598) 3.211 7.873 ( 5.856 0.000 5.044) 7.729 7.968 ( -0.022 0.000 -4.435) 4.435 8.289 ( 0.184 0.000 1.761) 1.770 8.322 ( -0.703 0.000 2.732) 2.821 8.470 ( -0.056 0.000 -0.328) 0.333 8.486 ( 0.318 0.000 -0.595) 0.675 ======================= Grid point 28 (16/50) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -2.165 15.886 16.163) 22.766 0.821 ( -17.848 12.665 25.804) 33.835 1.095 ( -12.543 -17.165 14.583) 25.781 1.128 ( -10.692 -25.983 1.996) 28.168 1.360 ( 9.865 29.724 32.414) 45.072 1.692 ( -6.692 11.448 6.349) 14.702 1.921 ( 2.375 -17.268 15.459) 23.298 1.950 ( -5.689 -10.915 3.211) 12.720 2.102 ( -0.598 9.704 -2.388) 10.011 2.145 ( 1.280 2.187 3.464) 4.292 2.183 ( 5.758 5.219 5.519) 9.532 2.231 ( -0.637 -3.591 1.778) 4.057 2.346 ( -0.124 -7.352 -0.046) 7.354 2.432 ( -5.092 6.036 1.321) 8.007 2.453 ( 1.823 -3.822 -2.746) 5.047 2.513 ( -4.358 -1.310 -1.214) 4.710 2.556 ( -5.411 -0.013 -4.757) 7.204 2.586 ( -0.502 -3.146 -2.149) 3.842 2.608 ( -3.690 0.187 0.120) 3.696 2.649 ( 2.196 1.371 -2.426) 3.547 2.738 ( 1.588 0.259 -0.082) 1.611 2.771 ( 3.528 -4.628 -1.956) 6.139 2.865 ( -1.080 0.772 1.244) 1.820 2.883 ( -3.533 -0.956 0.311) 3.673 2.940 ( 1.191 -1.441 -1.209) 2.227 2.961 ( 3.859 -3.575 1.506) 5.472 3.066 ( 0.763 4.404 -1.353) 4.670 3.092 ( -1.935 2.768 -0.698) 3.448 3.132 ( 0.710 1.916 -0.733) 2.171 3.170 ( -1.789 -4.024 0.082) 4.405 3.204 ( 0.592 6.971 0.621) 7.024 3.267 ( 1.517 8.427 3.957) 9.433 3.322 ( 0.506 -2.070 4.835) 5.284 3.388 ( 3.002 2.458 1.339) 4.104 3.398 ( 1.223 -2.446 -6.466) 7.021 3.479 ( 1.501 -2.805 0.582) 3.234 3.552 ( 3.921 1.837 -2.090) 4.808 3.617 ( 8.724 -3.444 -2.701) 9.760 3.682 ( 6.189 -0.458 -4.572) 7.708 3.700 ( 5.774 -1.923 -4.563) 7.607 3.787 ( 6.699 1.940 -2.030) 7.264 3.817 ( 6.151 -0.568 -2.614) 6.707 3.883 ( 5.922 3.482 -3.398) 7.664 3.943 ( 7.352 -2.308 -6.113) 9.836 4.166 ( -2.784 0.906 -2.693) 3.978 4.195 ( -1.985 -1.658 0.665) 2.670 4.270 ( 2.147 3.847 0.575) 4.443 4.344 ( 0.867 -3.336 2.504) 4.260 4.406 ( 3.403 2.260 4.696) 6.224 4.460 ( 2.489 -0.248 1.142) 2.750 4.498 ( 3.473 0.056 5.384) 6.408 4.559 ( 4.914 -3.156 4.725) 7.512 4.589 ( 5.420 3.108 6.111) 8.740 4.641 ( 3.946 -1.392 8.111) 9.127 4.688 ( 0.384 0.151 6.015) 6.029 4.737 ( 1.408 -3.559 8.702) 9.506 4.885 ( -5.342 3.068 -2.522) 6.657 4.950 ( -6.596 -2.607 1.954) 7.357 5.014 ( -2.956 1.484 5.107) 6.084 5.035 ( -4.131 -0.611 4.911) 6.446 5.130 ( -0.129 -0.055 0.341) 0.368 5.179 ( 1.903 -3.887 -1.761) 4.672 5.306 ( -0.446 3.372 -1.578) 3.749 5.359 ( -0.553 -1.698 -2.414) 3.003 5.418 ( 0.595 3.599 -5.351) 6.476 5.488 ( 1.441 -3.379 -5.514) 6.625 5.586 ( 1.794 5.045 -2.490) 5.905 5.616 ( 1.574 -0.669 -1.557) 2.313 5.632 ( -2.819 2.573 -1.195) 3.999 5.657 ( -0.537 0.790 -1.609) 1.871 5.711 ( 2.257 2.314 -2.374) 4.011 5.720 ( -0.750 -0.655 -1.278) 1.620 5.741 ( 1.646 -1.107 -4.035) 4.496 5.770 ( 0.968 -2.860 -1.861) 3.546 5.856 ( -2.738 2.565 -5.697) 6.822 5.867 ( -3.019 1.288 -3.046) 4.478 5.894 ( -1.624 0.109 -2.441) 2.934 5.922 ( -0.846 -3.401 -1.778) 3.930 6.020 ( -0.187 0.709 -0.329) 0.803 6.027 ( -2.354 -0.307 -1.135) 2.632 6.067 ( 2.110 0.829 -1.639) 2.798 6.083 ( 1.356 -0.409 -0.660) 1.563 6.127 ( -1.416 2.125 -2.208) 3.376 6.136 ( -3.304 0.124 0.493) 3.343 6.201 ( -1.794 1.208 -3.425) 4.051 6.240 ( -0.991 -0.887 -3.275) 3.535 6.339 ( -4.319 0.427 -1.518) 4.598 6.353 ( -4.542 -0.420 -2.239) 5.081 6.800 ( 0.719 0.426 0.172) 0.853 6.815 ( 0.001 -1.096 0.558) 1.229 6.977 ( -1.706 -0.194 -0.669) 1.843 6.981 ( -3.386 -0.643 -1.931) 3.950 7.181 ( -6.432 0.539 1.862) 6.718 7.186 ( -5.470 0.025 1.434) 5.655 7.260 ( -1.186 3.912 -0.324) 4.100 7.311 ( -1.579 -1.443 -0.016) 2.139 7.406 ( -2.456 1.533 -1.637) 3.326 7.445 ( -2.528 -2.152 -3.176) 4.594 7.610 ( 1.025 1.099 -0.717) 1.665 7.642 ( 2.607 -2.227 -1.182) 3.627 7.870 ( 1.742 3.019 -1.766) 3.907 7.927 ( 1.825 -2.673 -1.632) 3.625 8.001 ( 4.492 2.946 4.594) 7.069 8.086 ( 8.141 -5.722 4.105) 10.764 8.296 ( -1.089 -0.018 1.665) 1.990 8.308 ( -1.208 -1.657 2.735) 3.419 8.476 ( -0.031 0.685 -1.059) 1.261 8.484 ( -0.004 -0.245 -0.690) 0.733 ======================= Grid point 29 (17/50) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 7.935 8.742 14.834) 18.958 1.001 ( 13.079 -3.566 23.262) 26.924 1.057 ( 3.366 -12.984 9.962) 16.707 1.130 ( 4.714 -14.847 9.432) 18.210 1.628 ( -1.020 12.980 0.409) 13.027 1.841 ( 4.831 10.681 6.984) 13.645 1.871 ( -0.452 -2.481 2.893) 3.838 1.905 ( 2.084 17.897 4.451) 18.560 2.117 ( 1.400 0.556 -3.030) 3.384 2.237 ( -2.044 7.099 -3.432) 8.146 2.283 ( 3.248 -6.067 3.166) 7.575 2.297 ( -1.166 0.670 1.533) 2.040 2.319 ( 1.815 -7.205 6.557) 9.910 2.391 ( -3.462 -0.178 -4.622) 5.778 2.406 ( -1.739 -1.279 0.718) 2.275 2.438 ( -2.206 -6.737 1.416) 7.229 2.516 ( 2.686 -4.483 0.538) 5.253 2.528 ( 1.636 -5.464 -0.488) 5.724 2.644 ( -0.908 -0.088 0.642) 1.116 2.656 ( 3.772 -0.765 2.699) 4.701 2.724 ( -0.540 2.377 -4.445) 5.069 2.762 ( -1.939 -2.012 -6.846) 7.394 2.854 ( -0.366 0.967 1.247) 1.620 2.899 ( 1.395 -4.726 2.063) 5.342 2.979 ( 1.266 2.480 2.495) 3.739 2.983 ( -1.350 0.902 0.988) 1.901 3.027 ( 1.749 2.929 -1.343) 3.666 3.077 ( -2.740 1.900 -0.044) 3.335 3.103 ( 3.331 -4.372 4.728) 7.250 3.143 ( -1.001 -2.840 -2.480) 3.901 3.234 ( 1.473 0.801 2.313) 2.857 3.281 ( 0.131 -4.417 -0.116) 4.420 3.414 ( 2.086 2.045 2.265) 3.697 3.431 ( -1.911 0.705 -1.397) 2.470 3.461 ( -0.511 2.939 -1.300) 3.254 3.508 ( 2.307 -0.252 5.465) 5.937 3.609 ( 0.449 6.730 4.156) 7.923 3.644 ( 0.035 2.862 -4.503) 5.336 3.668 ( -2.586 0.259 -0.560) 2.658 3.743 ( -1.794 -5.420 2.775) 6.348 3.851 ( 0.933 2.276 1.070) 2.683 3.880 ( -0.045 -0.627 1.324) 1.466 4.001 ( 0.702 -0.292 0.189) 0.783 4.008 ( 3.944 -0.531 1.859) 4.392 4.160 ( 2.548 -0.122 1.216) 2.825 4.179 ( 0.492 -1.661 3.017) 3.479 4.305 ( -0.511 3.560 0.071) 3.597 4.343 ( -1.332 0.214 0.798) 1.567 4.537 ( 4.513 1.173 7.443) 8.783 4.543 ( 2.926 2.948 5.618) 6.987 4.627 ( 4.350 -1.603 3.046) 5.548 4.651 ( 3.224 -2.074 2.243) 4.441 4.702 ( 0.940 1.678 1.484) 2.429 4.754 ( 2.545 0.337 5.658) 6.213 4.777 ( 3.660 -3.251 7.070) 8.600 4.800 ( 0.964 -3.847 3.509) 5.295 4.941 ( 9.689 2.492 -1.071) 10.062 4.972 ( 4.961 0.549 1.002) 5.091 5.018 ( -0.433 1.394 4.219) 4.465 5.081 ( 2.454 -5.196 2.845) 6.412 5.144 ( 4.335 3.107 0.053) 5.334 5.223 ( -3.593 1.930 0.510) 4.111 5.234 ( 0.024 -3.740 -1.787) 4.145 5.285 ( -3.907 -3.137 -1.833) 5.335 5.386 ( -0.844 2.224 -4.181) 4.810 5.415 ( -2.467 -0.937 -6.888) 7.376 5.515 ( -3.244 5.748 -6.213) 9.064 5.578 ( -2.800 0.202 -5.713) 6.365 5.599 ( -3.129 1.162 -2.079) 3.932 5.631 ( -2.675 -2.006 -0.243) 3.352 5.668 ( -2.978 1.503 -4.079) 5.269 5.684 ( -2.990 0.229 -1.682) 3.438 5.699 ( 0.634 1.405 -4.270) 4.540 5.744 ( 0.819 -2.291 -1.978) 3.136 5.777 ( -1.291 3.430 -3.317) 4.944 5.820 ( -1.066 -0.243 -1.841) 2.142 5.840 ( -1.140 1.063 -0.339) 1.596 5.886 ( -1.315 -3.584 -2.297) 4.455 5.973 ( -0.110 0.241 -2.342) 2.357 5.983 ( 0.660 -0.660 -3.022) 3.163 6.051 ( -2.724 0.929 -0.827) 2.994 6.060 ( -2.127 0.217 0.150) 2.143 6.109 ( -1.565 1.858 -2.538) 3.513 6.140 ( -1.461 0.018 -3.114) 3.440 6.178 ( 2.073 -1.138 -0.075) 2.366 6.192 ( 1.452 -1.546 -1.613) 2.664 6.259 ( -0.892 0.160 -2.243) 2.419 6.263 ( -3.223 -0.191 -2.398) 4.022 6.811 ( 0.247 -0.175 -0.279) 0.412 6.813 ( -0.367 -0.584 -0.237) 0.729 6.899 ( -2.656 2.331 -1.090) 3.698 6.931 ( -1.944 -1.025 -1.268) 2.538 7.067 ( -6.102 0.479 2.425) 6.584 7.079 ( -5.438 -0.834 1.196) 5.630 7.259 ( -0.042 2.168 1.362) 2.560 7.289 ( -0.745 -0.807 0.445) 1.185 7.345 ( -2.360 0.464 -1.350) 2.758 7.363 ( -3.162 -1.284 -2.317) 4.125 7.649 ( 3.038 1.486 -1.157) 3.575 7.685 ( 2.749 -2.050 -1.766) 3.857 7.906 ( 2.654 2.755 -1.107) 3.982 7.963 ( 2.596 -2.973 -1.234) 4.135 8.087 ( 1.449 4.312 2.154) 5.033 8.177 ( 1.434 -4.080 -0.907) 4.419 8.279 ( -1.514 0.119 1.293) 1.994 8.296 ( -2.256 -2.222 2.611) 4.104 8.463 ( -0.330 0.820 -0.993) 1.329 8.475 ( -0.272 -0.487 -0.767) 0.948 ======================= Grid point 30 (18/50) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 21.790 4.114 4.104) 22.552 1.349 ( 19.503 -4.315 1.971) 20.072 1.386 ( 11.137 -2.540 12.359) 16.830 1.493 ( 15.908 -10.817 19.680) 27.520 1.656 ( 4.555 10.357 -4.347) 12.120 1.801 ( 4.825 10.616 -8.563) 14.468 1.847 ( 3.054 -7.006 -7.379) 10.623 1.991 ( 0.481 -4.941 -7.117) 8.677 2.144 ( -2.242 9.183 1.199) 9.528 2.158 ( 0.207 4.631 -9.122) 10.233 2.258 ( -4.623 -4.100 -3.180) 6.949 2.274 ( -3.309 -5.792 -4.759) 8.194 2.344 ( 0.859 -0.668 0.923) 1.427 2.379 ( -2.517 -2.692 3.076) 4.801 2.385 ( 1.383 3.544 -1.132) 3.969 2.479 ( 3.056 -0.246 -0.498) 3.106 2.497 ( 1.390 2.739 -3.557) 4.700 2.580 ( 2.675 -2.343 -1.751) 3.964 2.611 ( -0.626 3.188 -3.257) 4.600 2.668 ( -1.305 -3.991 -6.447) 7.694 2.688 ( 2.192 -2.230 0.477) 3.163 2.742 ( 0.953 -5.474 0.886) 5.627 2.895 ( 2.667 4.000 1.353) 4.995 2.946 ( 2.187 2.049 0.967) 3.149 2.999 ( -1.171 0.837 1.669) 2.204 3.032 ( -2.028 4.487 2.728) 5.629 3.063 ( -2.019 1.985 0.494) 2.874 3.092 ( 3.605 -2.672 6.444) 7.852 3.131 ( -1.497 3.879 5.948) 7.257 3.222 ( 1.757 -1.002 7.007) 7.293 3.247 ( -7.403 2.496 -1.974) 8.058 3.284 ( -4.482 -4.019 -2.759) 6.622 3.301 ( 2.006 -0.273 4.826) 5.233 3.341 ( -1.943 -5.004 -1.832) 5.672 3.418 ( -3.692 1.127 1.138) 4.024 3.473 ( -5.494 -4.032 0.889) 6.873 3.594 ( -3.309 3.100 0.190) 4.538 3.635 ( -2.242 -1.950 3.492) 4.585 3.698 ( -1.229 3.657 4.620) 6.019 3.749 ( -1.069 1.098 4.956) 5.188 3.826 ( -4.725 -0.527 4.409) 6.484 3.863 ( -3.647 -3.029 7.110) 8.546 3.961 ( -6.327 3.013 5.288) 8.779 4.004 ( -6.360 -1.232 6.427) 9.125 4.170 ( -2.735 0.173 -3.918) 4.781 4.221 ( -0.775 -3.182 2.379) 4.048 4.302 ( -0.126 2.211 1.694) 2.788 4.353 ( 3.634 -1.088 -0.026) 3.794 4.629 ( 5.519 3.021 -2.970) 6.957 4.660 ( 1.554 0.922 -3.556) 3.989 4.693 ( 2.014 -2.055 -4.444) 5.294 4.721 ( 3.167 -3.611 3.747) 6.092 4.807 ( 5.608 3.106 5.740) 8.605 4.837 ( 2.800 -1.183 5.577) 6.352 4.876 ( 4.052 1.332 2.163) 4.782 4.903 ( 4.278 -0.761 2.140) 4.843 5.006 ( -1.271 1.259 0.561) 1.876 5.027 ( -1.040 0.824 -0.180) 1.339 5.061 ( -3.381 -0.004 -2.994) 4.516 5.099 ( -1.434 -2.982 -4.501) 5.587 5.129 ( 2.300 1.805 1.060) 3.110 5.156 ( 0.909 0.988 0.024) 1.342 5.253 ( 0.646 -1.125 -0.431) 1.367 5.280 ( -1.708 -2.833 4.346) 5.462 5.349 ( 0.018 0.969 -3.622) 3.750 5.364 ( 0.285 0.694 -0.595) 0.957 5.418 ( -0.964 0.527 -5.775) 5.878 5.438 ( -1.996 -1.250 -6.975) 7.362 5.507 ( -3.254 2.909 -4.103) 5.990 5.559 ( -1.693 -2.102 -3.509) 4.427 5.617 ( 1.288 1.761 -1.835) 2.851 5.653 ( 1.781 -1.782 -1.643) 3.008 5.693 ( 2.042 3.983 0.109) 4.477 5.755 ( 0.839 -1.517 0.781) 1.902 5.780 ( -0.041 0.545 2.742) 2.796 5.812 ( 0.151 -0.508 1.516) 1.606 5.828 ( -0.651 1.233 1.226) 1.857 5.862 ( 0.041 -1.693 -0.248) 1.712 5.951 ( -1.173 1.225 -2.932) 3.387 5.968 ( -2.347 -0.396 -1.098) 2.621 6.007 ( 0.898 -0.068 -1.904) 2.106 6.015 ( -1.375 -0.344 -0.057) 1.418 6.057 ( -1.161 0.957 -2.133) 2.611 6.085 ( -2.583 -1.653 -1.293) 3.328 6.152 ( -1.748 2.654 -1.119) 3.369 6.183 ( -1.973 0.182 -1.170) 2.301 6.256 ( 3.742 -0.025 0.297) 3.754 6.287 ( 3.361 -2.527 -2.164) 4.730 6.792 ( -1.278 0.461 -0.795) 1.575 6.805 ( -0.717 -0.827 0.061) 1.096 6.858 ( -1.219 2.096 0.062) 2.425 6.891 ( -1.187 -1.222 -0.554) 1.792 6.986 ( -3.931 0.640 3.001) 4.986 7.004 ( -2.967 -1.163 1.617) 3.574 7.259 ( -0.933 0.778 0.275) 1.246 7.273 ( -1.768 -0.586 -0.235) 1.878 7.309 ( -0.449 0.341 1.084) 1.222 7.316 ( -0.262 -0.329 0.240) 0.485 7.697 ( 2.718 1.065 -1.623) 3.340 7.721 ( 2.148 -1.235 -1.714) 3.014 7.943 ( 1.922 2.643 -1.928) 3.794 7.999 ( 1.999 -2.948 -1.926) 4.049 8.104 ( -0.053 3.340 -0.409) 3.366 8.169 ( -0.714 -2.956 -2.120) 3.707 8.259 ( -1.368 0.447 1.304) 1.942 8.274 ( -1.366 -1.174 1.836) 2.572 8.452 ( 0.013 0.693 -0.726) 1.003 8.465 ( -0.102 -0.541 -0.749) 0.929 ======================= Grid point 31 (19/50) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -0.548 0.167 0.808) 0.990 1.640 ( -3.048 -5.552 -1.996) 6.641 1.703 ( 19.064 2.298 -0.416) 19.207 1.760 ( 13.326 -2.413 -2.217) 13.723 1.811 ( 9.554 5.033 2.917) 11.185 1.916 ( 7.846 0.044 -1.537) 7.995 1.934 ( 11.336 1.645 -7.003) 13.426 2.036 ( 5.841 -2.645 -7.310) 9.724 2.078 ( -2.464 3.247 -0.600) 4.120 2.100 ( 6.302 -0.331 -5.858) 8.611 2.135 ( -0.152 -2.418 -5.930) 6.406 2.196 ( -0.296 -4.316 -3.025) 5.279 2.319 ( 3.590 4.761 -0.456) 5.980 2.379 ( -4.836 2.170 -1.633) 5.547 2.441 ( 4.549 -0.796 1.144) 4.757 2.486 ( 0.652 -0.656 -0.881) 1.277 2.509 ( 1.849 1.889 -6.878) 7.368 2.567 ( 1.639 -0.886 -9.029) 9.219 2.601 ( 2.786 1.746 -6.158) 6.981 2.638 ( 0.442 -1.264 -1.738) 2.194 2.743 ( 0.647 -0.004 0.865) 1.080 2.760 ( 2.389 -4.039 2.178) 5.173 2.898 ( -4.137 -1.904 -3.606) 5.809 2.900 ( -2.060 -0.576 -3.086) 3.754 2.953 ( -4.678 2.517 -2.302) 5.789 2.980 ( -6.007 1.732 -1.360) 6.398 3.005 ( -0.636 1.874 -3.165) 3.733 3.045 ( -5.500 -1.431 -3.156) 6.500 3.058 ( -2.919 -1.514 0.718) 3.366 3.120 ( -4.240 -3.750 -4.854) 7.457 3.240 ( -2.113 6.703 6.851) 9.814 3.291 ( 0.260 3.817 7.554) 8.467 3.315 ( -4.315 1.773 4.516) 6.493 3.348 ( -7.915 -2.599 9.685) 12.775 3.426 ( -1.749 -1.447 7.200) 7.549 3.475 ( -3.936 -5.791 9.540) 11.834 3.526 ( 1.237 3.820 3.787) 5.519 3.552 ( -7.431 2.303 8.377) 11.432 3.632 ( -2.850 0.250 -2.390) 3.728 3.703 ( -10.250 -4.683 1.406) 11.356 3.730 ( -5.245 1.034 0.041) 5.346 3.794 ( -8.744 -4.383 1.518) 9.898 3.896 ( -4.280 0.898 1.503) 4.625 3.900 ( -5.344 0.898 1.406) 5.598 4.132 ( 1.701 3.735 1.067) 4.241 4.229 ( 2.363 -2.826 -0.534) 3.722 4.259 ( -2.549 3.835 -3.933) 6.056 4.362 ( -2.231 -3.318 -3.631) 5.401 4.610 ( -0.912 -0.334 -4.489) 4.593 4.652 ( -0.083 -3.417 -4.136) 5.366 4.701 ( -2.549 -0.316 -7.883) 8.290 4.709 ( 1.487 -0.718 -5.118) 5.378 4.887 ( 1.244 4.014 -2.016) 4.661 4.918 ( -1.213 0.688 -5.762) 5.929 4.937 ( -1.647 1.221 0.580) 2.130 4.960 ( -0.877 0.387 -5.716) 5.796 4.972 ( -0.673 -2.557 -0.678) 2.730 5.009 ( 0.525 -2.136 -1.297) 2.553 5.059 ( 4.284 0.501 10.794) 11.623 5.081 ( 1.935 -1.468 7.657) 8.033 5.142 ( -1.217 3.773 1.533) 4.250 5.182 ( 1.561 7.054 4.294) 8.404 5.218 ( -1.928 -2.504 1.751) 3.613 5.294 ( -0.711 -1.790 2.723) 3.335 5.355 ( 2.067 -0.055 -6.925) 7.227 5.369 ( 2.972 -1.813 -3.957) 5.271 5.398 ( 4.077 1.847 -1.325) 4.668 5.436 ( 3.855 -0.403 2.725) 4.738 5.506 ( 2.960 -0.301 -0.667) 3.049 5.536 ( 2.057 -2.489 -3.120) 4.490 5.649 ( 2.301 3.515 -1.197) 4.368 5.705 ( 2.347 -2.259 -0.271) 3.269 5.747 ( -1.934 2.470 2.179) 3.819 5.763 ( 1.352 1.489 0.590) 2.096 5.794 ( -1.327 -1.988 2.989) 3.828 5.814 ( -0.034 -3.074 -0.309) 3.090 5.827 ( -1.560 2.613 1.855) 3.564 5.871 ( -1.261 -1.662 1.178) 2.396 5.912 ( 0.113 1.495 0.563) 1.601 5.931 ( -0.086 -0.382 1.026) 1.098 5.984 ( -0.547 0.739 -0.337) 0.979 5.993 ( -3.118 -0.260 -0.565) 3.179 6.043 ( 2.321 -0.385 -0.139) 2.357 6.066 ( 2.586 -2.324 -0.040) 3.477 6.162 ( 1.823 3.099 2.839) 4.581 6.187 ( 1.630 1.066 2.491) 3.162 6.324 ( 2.227 -0.778 0.265) 2.374 6.332 ( 2.268 -1.337 0.157) 2.638 6.763 ( -0.928 1.257 -0.157) 1.570 6.789 ( -1.056 -1.320 0.771) 1.858 6.848 ( -0.269 1.613 1.006) 1.920 6.880 ( -0.129 -1.484 0.865) 1.722 6.965 ( -0.752 1.109 3.691) 3.926 6.991 ( -0.162 -1.416 2.776) 3.120 7.244 ( -0.384 0.568 -0.026) 0.687 7.254 ( 0.304 -0.410 0.793) 0.944 7.322 ( 0.067 0.402 2.447) 2.481 7.331 ( 0.398 -0.407 2.150) 2.224 7.727 ( 1.579 0.562 -1.586) 2.307 7.740 ( 1.080 -0.684 -1.693) 2.121 7.945 ( 0.379 2.791 -3.545) 4.528 8.003 ( 0.430 -2.958 -3.563) 4.651 8.087 ( -0.215 1.977 -3.103) 3.686 8.125 ( -1.256 -1.726 -3.542) 4.136 8.255 ( -0.252 0.638 1.608) 1.748 8.271 ( -0.431 -0.949 1.734) 2.023 8.453 ( 0.439 0.512 -0.280) 0.730 8.463 ( 0.375 -0.416 -0.486) 0.742 ======================= Grid point 32 (20/50) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -17.792 -1.974 -6.052) 18.896 1.425 ( -12.008 -9.724 0.314) 15.454 1.771 ( -11.435 12.906 -4.198) 17.747 1.918 ( -1.656 -2.501 2.537) 3.929 1.959 ( 0.935 5.277 5.452) 7.645 1.997 ( -1.478 4.929 -3.344) 6.137 2.043 ( 3.944 -3.421 -0.295) 5.229 2.081 ( 4.808 -0.331 -7.143) 8.617 2.101 ( 1.634 -2.243 -6.011) 6.620 2.157 ( 4.825 0.329 -3.950) 6.244 2.228 ( 3.753 -2.121 -2.294) 4.883 2.249 ( 4.620 -2.870 0.886) 5.511 2.315 ( 3.024 2.533 0.409) 3.966 2.348 ( 3.844 -0.218 -1.479) 4.124 2.435 ( -2.468 5.431 -8.397) 10.300 2.506 ( 1.941 0.766 -2.634) 3.360 2.554 ( 7.834 1.917 -6.203) 10.175 2.587 ( 2.993 0.059 -7.799) 8.353 2.641 ( 0.194 -0.776 -3.089) 3.191 2.673 ( 1.441 -1.382 0.580) 2.080 2.749 ( 0.851 0.578 0.546) 1.165 2.771 ( 6.817 0.104 -4.000) 7.905 2.791 ( 0.278 -2.410 -4.605) 5.205 2.833 ( -5.152 -0.915 0.318) 5.242 2.886 ( -0.812 -0.344 -2.320) 2.482 2.909 ( -0.460 -3.531 1.658) 3.928 2.965 ( 3.541 1.747 -2.714) 4.791 2.994 ( 3.899 -1.308 -5.298) 6.707 3.037 ( -4.805 -0.273 6.134) 7.797 3.096 ( 0.261 -6.163 5.172) 8.050 3.123 ( -6.552 0.516 3.856) 7.620 3.180 ( -5.986 -4.133 2.621) 7.732 3.296 ( 1.152 6.390 2.092) 6.821 3.336 ( -8.074 1.914 -3.300) 8.929 3.393 ( -6.091 0.247 6.413) 8.848 3.414 ( -5.189 -3.309 -2.817) 6.768 3.478 ( -7.371 -0.697 3.893) 8.365 3.499 ( 0.770 -1.989 -0.077) 2.134 3.569 ( -3.977 0.610 -4.894) 6.335 3.594 ( -1.636 2.685 5.939) 6.719 3.643 ( -6.616 -2.805 1.596) 7.361 3.672 ( -0.269 -3.676 1.388) 3.938 3.791 ( -2.024 4.058 -2.032) 4.970 3.812 ( -3.541 2.595 -0.447) 4.413 4.179 ( -0.937 3.185 -1.939) 3.845 4.199 ( -0.270 2.087 -3.269) 3.888 4.270 ( 2.368 1.738 1.138) 3.150 4.336 ( 2.243 -2.097 -1.240) 3.311 4.457 ( -5.413 3.550 -9.870) 11.803 4.580 ( -4.457 -6.105 -5.925) 9.605 4.611 ( -3.354 2.964 -5.028) 6.732 4.654 ( -2.018 -1.500 -3.686) 4.462 4.752 ( -7.244 0.008 -7.741) 10.602 4.797 ( -7.714 -3.764 -8.883) 12.352 4.881 ( 0.096 4.803 -4.532) 6.604 4.913 ( 0.819 4.668 -1.219) 4.894 4.997 ( 2.388 -5.650 -2.551) 6.643 5.030 ( 4.772 -6.667 6.121) 10.232 5.139 ( -2.739 0.667 2.500) 3.768 5.168 ( 1.375 -1.250 0.445) 1.911 5.209 ( -1.449 1.329 5.478) 5.820 5.238 ( 0.484 -0.918 5.072) 5.177 5.277 ( 3.209 2.148 3.813) 5.427 5.315 ( 2.026 -0.506 1.163) 2.390 5.345 ( 1.860 5.777 -0.158) 6.071 5.424 ( 2.699 -3.174 -1.530) 4.439 5.504 ( 2.769 0.901 2.483) 3.827 5.533 ( 2.493 -1.709 3.301) 4.476 5.546 ( 2.569 1.654 -0.500) 3.096 5.572 ( 2.129 -1.499 -0.632) 2.679 5.684 ( 0.482 3.345 0.653) 3.442 5.717 ( -1.207 3.518 -0.527) 3.756 5.726 ( -0.540 -0.642 0.491) 0.972 5.745 ( -0.058 -0.364 0.341) 0.502 5.761 ( -0.435 0.539 -0.735) 1.010 5.817 ( 0.351 -2.269 0.746) 2.414 5.827 ( -1.198 -0.993 0.238) 1.574 5.848 ( 2.136 -1.362 1.341) 2.866 5.937 ( 0.399 1.578 0.689) 1.767 5.956 ( 0.400 0.420 -0.519) 0.778 6.001 ( 4.339 0.913 2.634) 5.157 6.031 ( 3.660 -1.633 1.207) 4.186 6.106 ( 3.011 -0.112 1.420) 3.331 6.130 ( 2.625 -2.469 1.335) 3.843 6.247 ( 1.067 2.128 4.490) 5.082 6.254 ( 2.808 1.211 5.582) 6.364 6.337 ( -0.318 1.411 0.342) 1.486 6.388 ( 1.973 -2.952 2.141) 4.146 6.760 ( 0.117 1.026 1.444) 1.775 6.782 ( -0.614 -1.091 1.718) 2.125 6.857 ( 0.353 1.802 0.742) 1.981 6.892 ( 0.599 -1.584 0.652) 1.815 7.011 ( 1.946 0.920 4.648) 5.123 7.034 ( 1.658 -1.376 3.845) 4.408 7.254 ( 0.905 2.329 1.096) 2.728 7.295 ( 2.431 -1.674 2.570) 3.913 7.349 ( 0.173 0.585 3.851) 3.899 7.364 ( 0.761 -0.813 3.676) 3.841 7.736 ( -0.177 0.188 -1.212) 1.239 7.740 ( 0.680 -0.214 -1.117) 1.325 7.906 ( -0.657 2.464 -5.191) 5.784 7.959 ( -1.170 -2.603 -5.486) 6.184 8.048 ( -0.387 1.040 -5.533) 5.643 8.071 ( -0.708 -1.119 -5.366) 5.527 8.268 ( 0.029 0.588 1.914) 2.003 8.282 ( -0.064 -0.774 2.206) 2.339 8.463 ( 0.586 0.428 0.059) 0.729 8.470 ( 0.643 -0.298 -0.265) 0.756 ======================= Grid point 33 (21/50) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -18.031 9.244 2.222) 20.384 1.259 ( -7.178 -21.087 9.461) 24.201 1.352 ( -21.689 20.955 -7.734) 31.134 1.684 ( -20.536 -13.229 6.974) 25.404 1.801 ( -23.075 7.898 8.916) 25.968 1.953 ( -8.416 2.503 2.188) 9.048 2.004 ( -1.481 3.033 -4.213) 5.399 2.058 ( -1.120 -7.097 -4.202) 8.323 2.112 ( -2.217 3.675 -1.954) 4.716 2.153 ( -1.768 -2.675 2.005) 3.782 2.287 ( -0.014 0.026 0.106) 0.110 2.295 ( -4.295 6.901 4.840) 9.460 2.322 ( 5.089 -1.198 0.802) 5.289 2.384 ( 2.579 -1.332 -3.147) 4.282 2.407 ( -3.518 -0.886 -3.853) 5.293 2.487 ( 3.623 -2.211 1.106) 4.386 2.542 ( 0.064 1.381 -0.450) 1.454 2.627 ( -3.334 -4.911 0.258) 5.942 2.666 ( 1.607 -0.128 0.182) 1.622 2.693 ( 4.216 -5.174 -1.681) 6.883 2.718 ( 2.909 5.142 -3.134) 6.688 2.824 ( -1.540 1.655 2.956) 3.721 2.833 ( 4.154 -5.465 -2.231) 7.218 2.853 ( 0.726 -1.131 0.557) 1.455 2.938 ( 3.227 2.198 -3.278) 5.098 2.977 ( 7.195 -1.799 -4.292) 8.569 3.026 ( -0.532 2.470 -0.397) 2.558 3.053 ( 1.548 1.845 0.770) 2.528 3.058 ( 6.015 1.590 -0.116) 6.223 3.072 ( 4.553 4.866 -3.655) 7.600 3.141 ( 2.097 -5.404 -1.019) 5.886 3.197 ( -1.827 0.925 1.370) 2.464 3.228 ( -1.092 -1.760 -1.083) 2.338 3.255 ( 5.410 -7.581 -4.612) 10.393 3.299 ( -0.587 2.695 -3.186) 4.214 3.353 ( 4.148 -2.562 -7.714) 9.125 3.437 ( 2.976 2.659 -5.314) 6.646 3.472 ( -0.951 0.189 -5.195) 5.285 3.534 ( -2.635 4.761 2.370) 5.935 3.554 ( 1.722 1.363 5.393) 5.823 3.665 ( -0.867 0.324 0.915) 1.301 3.672 ( 3.123 1.894 3.362) 4.964 3.764 ( 2.613 0.446 -3.268) 4.208 3.799 ( -0.795 -2.380 -0.831) 2.643 4.151 ( 0.833 2.517 -2.145) 3.410 4.195 ( 1.819 -2.245 2.200) 3.631 4.252 ( -1.134 4.584 -5.953) 7.599 4.326 ( -0.874 -3.244 -6.133) 6.992 4.366 ( -1.795 2.563 0.852) 3.243 4.449 ( -2.985 -4.878 -3.290) 6.598 4.519 ( -6.205 1.302 -4.444) 7.742 4.544 ( -1.353 2.965 -1.455) 3.569 4.585 ( -5.356 -4.357 -7.909) 10.499 4.624 ( -2.016 -3.780 -3.471) 5.513 4.784 ( -4.476 5.012 -5.103) 8.438 4.875 ( -5.166 -3.454 -4.784) 7.843 5.080 ( 4.535 3.513 2.781) 6.375 5.108 ( 0.601 2.155 1.784) 2.862 5.144 ( -3.568 0.523 4.798) 6.002 5.172 ( 0.106 -4.221 1.835) 4.604 5.202 ( -2.190 0.405 4.189) 4.744 5.247 ( -3.437 -2.462 2.046) 4.697 5.290 ( -3.947 -0.144 1.617) 4.268 5.302 ( -2.505 -1.397 1.345) 3.168 5.398 ( 2.468 3.856 1.618) 4.855 5.454 ( 2.486 -1.497 -2.260) 3.678 5.509 ( 1.725 1.933 -0.690) 2.681 5.561 ( -0.475 -3.003 -0.242) 3.050 5.610 ( 1.110 0.990 0.789) 1.684 5.616 ( 0.802 0.312 0.296) 0.911 5.682 ( 0.010 2.887 1.603) 3.302 5.700 ( 1.896 1.169 -0.124) 2.231 5.729 ( 0.933 -0.795 1.328) 1.807 5.757 ( -0.665 -2.149 -2.157) 3.116 5.811 ( 3.789 0.786 -0.440) 3.895 5.832 ( 4.277 -1.861 -0.341) 4.677 5.896 ( 3.229 1.201 1.971) 3.969 5.922 ( 3.951 -1.148 1.599) 4.414 5.972 ( 2.066 1.129 -0.277) 2.371 5.983 ( 2.636 0.224 -0.936) 2.806 6.053 ( 0.203 1.761 -0.767) 1.932 6.087 ( 0.724 -1.436 -0.201) 1.621 6.178 ( 2.987 0.918 -0.061) 3.126 6.198 ( 3.560 -0.883 0.613) 3.718 6.276 ( -1.456 1.386 3.659) 4.174 6.287 ( -2.363 0.325 1.732) 2.948 6.370 ( 1.477 2.326 3.989) 4.848 6.439 ( 1.485 -3.897 1.749) 4.522 6.782 ( -0.449 0.043 2.864) 2.900 6.792 ( -0.104 -1.209 3.239) 3.459 6.886 ( 2.486 2.460 2.466) 4.279 6.917 ( 1.777 -0.933 0.833) 2.173 7.096 ( 2.124 0.159 4.471) 4.953 7.110 ( 3.232 -1.065 3.756) 5.069 7.289 ( 0.708 4.710 2.716) 5.483 7.353 ( -0.356 -1.272 3.992) 4.205 7.398 ( 1.502 0.022 3.240) 3.571 7.420 ( 2.530 -1.965 3.449) 4.707 7.708 ( -1.750 1.829 -0.986) 2.717 7.746 ( 0.232 -1.851 0.209) 1.877 7.853 ( -0.029 1.057 -4.949) 5.061 7.883 ( -1.274 -1.886 -6.809) 7.179 7.979 ( -1.455 1.361 -8.103) 8.344 8.007 ( -1.151 -1.358 -6.117) 6.371 8.282 ( -0.159 0.736 2.015) 2.151 8.299 ( -0.187 -0.913 2.505) 2.672 8.474 ( 0.452 0.450 -0.001) 0.638 8.481 ( 0.551 -0.197 -0.353) 0.683 ======================= Grid point 34 (22/50) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -6.953 24.591 12.450) 28.426 0.909 ( -15.473 25.940 5.674) 30.732 1.274 ( -6.245 -23.023 14.924) 28.139 1.332 ( -19.851 -15.927 8.007) 26.681 1.352 ( -27.742 10.358 20.970) 36.285 1.746 ( -11.381 -11.759 7.530) 18.014 1.924 ( -11.817 -5.689 9.986) 16.484 1.986 ( 1.161 1.442 -0.367) 1.887 2.075 ( -1.898 1.762 2.124) 3.349 2.110 ( 0.627 -1.300 0.245) 1.464 2.184 ( -6.074 -0.468 1.145) 6.199 2.292 ( -1.418 12.222 -0.149) 12.305 2.344 ( -0.317 -9.450 -1.239) 9.536 2.441 ( 0.556 -1.105 -3.332) 3.554 2.498 ( 5.375 1.445 1.770) 5.840 2.524 ( 5.559 1.682 2.286) 6.242 2.552 ( -2.446 2.078 2.001) 3.783 2.623 ( 3.656 -2.334 0.128) 4.340 2.633 ( -2.780 -2.133 -1.547) 3.831 2.696 ( -3.649 -0.162 0.032) 3.653 2.705 ( -2.536 0.392 -5.632) 6.189 2.804 ( -2.041 -5.699 -4.809) 7.732 2.869 ( 1.993 1.448 3.466) 4.253 2.909 ( -0.700 0.921 1.928) 2.248 2.923 ( 1.810 1.372 3.957) 4.563 2.997 ( -2.517 -2.047 -1.982) 3.802 3.033 ( -1.066 3.561 -1.582) 4.040 3.043 ( -0.249 4.061 1.338) 4.283 3.085 ( 0.073 1.681 0.585) 1.781 3.156 ( 6.403 -1.678 3.222) 7.361 3.203 ( 2.635 5.801 1.935) 6.659 3.239 ( 1.168 2.172 -2.978) 3.867 3.251 ( 1.952 5.133 -3.448) 6.485 3.356 ( 7.323 -0.230 -2.275) 7.672 3.388 ( 4.421 -4.224 -5.402) 8.159 3.402 ( 10.409 2.361 -4.588) 11.618 3.472 ( 6.683 -3.659 -6.712) 10.154 3.523 ( 5.555 -1.856 -8.504) 10.326 3.565 ( 7.922 1.748 -6.176) 10.195 3.634 ( -0.957 -3.312 -6.290) 7.173 3.656 ( 6.568 1.090 -0.871) 6.714 3.716 ( 3.159 -3.683 1.465) 5.068 3.802 ( 3.670 3.325 0.826) 5.020 3.841 ( 6.459 -0.544 -4.764) 8.044 4.211 ( 3.367 1.692 1.661) 4.118 4.228 ( -1.436 0.776 -1.472) 2.198 4.248 ( 3.584 -1.498 2.188) 4.458 4.279 ( -3.194 -2.168 -3.604) 5.281 4.340 ( 4.099 -0.139 -1.008) 4.224 4.407 ( -0.819 -0.567 0.250) 1.027 4.429 ( 1.227 -0.861 -0.112) 1.503 4.491 ( -1.163 -4.165 -1.230) 4.496 4.545 ( 0.241 2.461 3.802) 4.535 4.552 ( -2.108 0.967 -1.298) 2.658 4.683 ( -3.518 0.337 1.325) 3.774 4.733 ( -5.267 -3.090 1.710) 6.341 5.059 ( -6.378 2.186 3.970) 7.824 5.077 ( -10.803 2.413 -0.244) 11.071 5.096 ( -4.131 0.110 3.022) 5.119 5.116 ( -7.685 -0.385 5.970) 9.739 5.129 ( -3.175 -0.778 3.481) 4.775 5.188 ( -0.739 -4.415 -2.546) 5.150 5.269 ( 3.869 4.962 0.110) 6.293 5.347 ( 2.470 -2.173 -0.316) 3.305 5.455 ( 0.829 -0.207 -1.355) 1.602 5.465 ( 2.684 -1.295 -4.864) 5.705 5.552 ( 1.495 2.185 -0.731) 2.746 5.573 ( 3.398 -0.210 -0.865) 3.512 5.640 ( 2.751 0.803 -0.474) 2.905 5.652 ( 2.285 -0.131 1.498) 2.735 5.695 ( -0.156 2.118 0.050) 2.124 5.727 ( 0.521 -0.603 -2.920) 3.026 5.736 ( 1.298 -0.751 -1.866) 2.394 5.751 ( -0.016 -2.781 0.268) 2.794 5.877 ( 3.413 1.433 -1.217) 3.896 5.894 ( 1.935 -0.919 -1.311) 2.512 5.936 ( -0.668 2.019 -0.276) 2.145 5.964 ( -1.137 -0.825 -1.862) 2.333 6.015 ( 1.259 0.049 -1.726) 2.137 6.022 ( 4.045 -0.720 -0.549) 4.145 6.047 ( 0.481 1.461 -0.603) 1.652 6.067 ( -1.170 -0.749 -1.277) 1.887 6.200 ( 0.188 4.516 -6.163) 7.643 6.214 ( -2.254 0.658 -0.274) 2.364 6.249 ( -2.435 0.147 1.215) 2.725 6.263 ( -0.613 0.241 0.451) 0.798 6.396 ( -1.259 1.209 1.118) 2.072 6.448 ( -1.449 -3.390 -1.960) 4.175 6.788 ( -0.265 0.603 1.550) 1.685 6.808 ( -0.235 -1.502 1.691) 2.274 6.971 ( 1.681 0.473 1.891) 2.574 6.999 ( 2.577 -2.883 4.176) 5.691 7.174 ( 2.490 1.613 4.963) 5.782 7.206 ( 2.468 -1.523 3.458) 4.513 7.304 ( -0.569 4.528 0.079) 4.564 7.353 ( -1.790 -0.717 1.476) 2.428 7.434 ( 0.910 1.840 0.771) 2.193 7.483 ( 1.153 -2.574 -0.670) 2.899 7.645 ( -3.103 1.675 -1.736) 3.931 7.689 ( -5.254 -3.014 -6.108) 8.602 7.866 ( 2.771 0.910 1.036) 3.095 7.873 ( 4.786 -0.096 3.405) 5.875 7.889 ( -0.521 2.626 -3.586) 4.476 7.944 ( -0.416 -2.445 -4.436) 5.082 8.293 ( -0.344 0.593 1.998) 2.113 8.310 ( -0.771 -1.004 2.394) 2.708 8.479 ( 0.273 0.569 -0.543) 0.832 8.486 ( 0.331 -0.112 -0.554) 0.656 ======================= Grid point 42 (23/50) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 7.551 0.000 27.797) 28.804 1.264 ( -10.755 0.000 27.185) 29.235 1.527 ( -6.736 0.000 2.560) 7.206 1.596 ( -8.858 0.000 3.074) 9.376 1.685 ( -14.876 0.000 17.370) 22.870 1.796 ( -16.734 0.000 12.032) 20.611 1.835 ( -1.149 0.000 33.288) 33.308 2.037 ( -1.092 0.000 2.893) 3.092 2.100 ( 1.750 0.000 -3.182) 3.632 2.243 ( -1.958 0.000 -4.024) 4.475 2.266 ( 1.886 0.000 0.606) 1.981 2.310 ( -5.265 0.000 0.528) 5.292 2.372 ( -3.068 0.000 -3.597) 4.728 2.404 ( 5.139 0.000 -3.932) 6.470 2.446 ( -0.226 0.000 2.111) 2.123 2.538 ( -0.513 0.000 -2.489) 2.541 2.578 ( -2.971 0.000 -2.415) 3.829 2.612 ( 6.931 0.000 10.261) 12.383 2.666 ( -6.989 0.000 5.350) 8.801 2.708 ( -1.438 0.000 3.682) 3.953 2.765 ( -6.256 0.000 -0.093) 6.257 2.816 ( -1.752 0.000 -1.676) 2.425 2.844 ( 1.822 0.000 -0.167) 1.830 2.896 ( -1.822 0.000 0.576) 1.911 2.963 ( 2.540 0.000 -3.699) 4.488 2.986 ( -2.936 0.000 -1.812) 3.450 3.000 ( -0.918 0.000 -2.603) 2.760 3.080 ( 7.328 0.000 6.192) 9.594 3.138 ( 0.590 0.000 -1.845) 1.937 3.179 ( -1.597 0.000 3.681) 4.012 3.194 ( 3.609 0.000 -0.278) 3.620 3.287 ( -1.279 0.000 -6.788) 6.908 3.339 ( 3.407 0.000 -5.267) 6.273 3.349 ( 8.239 0.000 -6.159) 10.286 3.390 ( 4.591 0.000 5.752) 7.360 3.453 ( 13.522 0.000 -1.433) 13.598 3.464 ( 11.401 0.000 -2.932) 11.772 3.480 ( 2.690 0.000 0.700) 2.780 3.520 ( 13.975 0.000 -1.147) 14.022 3.578 ( 1.661 0.000 -4.580) 4.872 3.689 ( 8.670 0.000 -0.624) 8.692 3.734 ( 4.605 0.000 -8.487) 9.656 3.926 ( 4.973 0.000 4.129) 6.464 3.931 ( 4.998 0.000 1.746) 5.294 4.121 ( 0.632 0.000 -1.551) 1.674 4.194 ( 1.424 0.000 2.834) 3.172 4.217 ( -2.613 0.000 -2.070) 3.334 4.436 ( 0.354 0.000 -1.606) 1.644 4.493 ( 8.476 0.000 5.648) 10.186 4.597 ( -0.067 0.000 7.428) 7.428 4.610 ( 3.812 0.000 3.140) 4.939 4.625 ( 3.102 0.000 0.869) 3.222 4.716 ( 5.343 0.000 9.253) 10.685 4.728 ( 1.060 0.000 -0.937) 1.415 4.806 ( -1.241 0.000 5.274) 5.418 4.906 ( 1.286 0.000 9.057) 9.148 4.958 ( 6.536 0.000 5.280) 8.402 4.995 ( -5.380 0.000 -1.006) 5.473 5.085 ( -5.673 0.000 -2.592) 6.237 5.108 ( -2.128 0.000 0.291) 2.148 5.136 ( -1.854 0.000 -1.852) 2.621 5.174 ( -2.733 0.000 -5.834) 6.442 5.240 ( 1.429 0.000 -1.534) 2.097 5.299 ( 3.347 0.000 0.725) 3.424 5.337 ( -0.304 0.000 -1.142) 1.182 5.412 ( -4.763 0.000 0.269) 4.771 5.455 ( -2.039 0.000 -0.552) 2.112 5.557 ( -2.318 0.000 -2.197) 3.194 5.579 ( -1.292 0.000 -4.021) 4.223 5.591 ( -1.621 0.000 -2.538) 3.011 5.635 ( 2.382 0.000 -1.458) 2.792 5.674 ( -0.592 0.000 -3.361) 3.413 5.729 ( 1.136 0.000 0.151) 1.146 5.741 ( -3.142 0.000 -3.512) 4.712 5.744 ( -3.264 0.000 -0.654) 3.329 5.813 ( -1.493 0.000 -3.186) 3.519 5.848 ( -1.113 0.000 -0.384) 1.177 5.931 ( -0.946 0.000 -4.957) 5.046 5.933 ( -0.410 0.000 -1.894) 1.938 5.965 ( -0.470 0.000 -3.758) 3.788 5.994 ( -0.659 0.000 -3.390) 3.454 6.079 ( 0.788 0.000 -0.313) 0.848 6.090 ( 0.956 0.000 0.046) 0.957 6.130 ( -1.992 0.000 -2.978) 3.583 6.164 ( 1.709 0.000 0.498) 1.780 6.233 ( -3.258 0.000 -0.504) 3.296 6.267 ( -4.216 0.000 -3.612) 5.552 6.315 ( -3.344 0.000 -1.907) 3.849 6.798 ( -0.284 0.000 0.356) 0.455 6.834 ( -0.266 0.000 0.042) 0.269 6.908 ( -3.924 0.000 -3.023) 4.954 6.950 ( -1.732 0.000 -2.408) 2.967 7.210 ( -4.247 0.000 1.708) 4.578 7.236 ( -4.811 0.000 2.080) 5.241 7.253 ( 0.607 0.000 1.849) 1.946 7.327 ( -1.519 0.000 -0.195) 1.532 7.385 ( -2.965 0.000 0.410) 2.993 7.418 ( -3.032 0.000 -0.420) 3.061 7.566 ( 1.757 0.000 -2.642) 3.173 7.618 ( 2.501 0.000 -2.988) 3.896 7.809 ( 2.232 0.000 -0.893) 2.404 7.887 ( 3.398 0.000 -3.697) 5.022 8.065 ( 2.045 0.000 3.674) 4.204 8.142 ( 3.668 0.000 -0.486) 3.700 8.330 ( -1.500 0.000 1.716) 2.279 8.391 ( -0.430 0.000 2.021) 2.067 8.434 ( 0.159 0.000 -1.575) 1.583 8.476 ( 0.084 0.000 -0.511) 0.518 ======================= Grid point 43 (24/50) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -6.609 0.000 23.338) 24.256 1.454 ( -7.744 0.000 9.123) 11.966 1.510 ( 1.071 0.000 7.945) 8.016 1.570 ( -10.236 0.000 11.012) 15.034 1.607 ( -4.909 0.000 12.628) 13.549 1.699 ( 11.871 0.000 23.826) 26.619 1.955 ( -4.177 0.000 -2.909) 5.091 2.032 ( -9.360 0.000 1.622) 9.499 2.071 ( -6.424 0.000 -8.063) 10.309 2.108 ( -1.078 0.000 14.378) 14.419 2.288 ( 3.341 0.000 -0.204) 3.348 2.295 ( 0.402 0.000 3.532) 3.554 2.380 ( -0.434 0.000 -2.683) 2.718 2.384 ( -3.447 0.000 -5.946) 6.873 2.411 ( -0.086 0.000 -3.043) 3.044 2.448 ( -3.698 0.000 -6.930) 7.855 2.450 ( -6.940 0.000 -3.674) 7.852 2.554 ( -3.679 0.000 1.948) 4.163 2.638 ( -1.999 0.000 0.391) 2.036 2.709 ( -5.865 0.000 1.525) 6.060 2.783 ( 0.842 0.000 5.141) 5.210 2.818 ( -1.863 0.000 -2.435) 3.066 2.866 ( 1.956 0.000 -0.083) 1.958 2.868 ( -4.351 0.000 -2.334) 4.938 2.919 ( 6.944 0.000 -1.101) 7.031 2.992 ( 0.537 0.000 2.125) 2.192 3.042 ( 2.882 0.000 4.422) 5.278 3.148 ( 1.125 0.000 -1.036) 1.530 3.159 ( 1.869 0.000 1.848) 2.628 3.182 ( 1.402 0.000 -4.606) 4.815 3.235 ( 3.149 0.000 -2.120) 3.796 3.317 ( 5.187 0.000 -1.587) 5.424 3.369 ( -6.287 0.000 -0.613) 6.316 3.384 ( 2.723 0.000 1.426) 3.074 3.416 ( -0.251 0.000 0.311) 0.399 3.486 ( -1.310 0.000 -0.969) 1.629 3.551 ( 4.235 0.000 -7.184) 8.339 3.648 ( 5.428 0.000 8.154) 9.796 3.706 ( 8.389 0.000 -5.933) 10.275 3.778 ( 12.886 0.000 -4.536) 13.661 3.873 ( 3.843 0.000 9.698) 10.432 3.882 ( 11.472 0.000 -6.831) 13.352 3.991 ( 0.873 0.000 -1.022) 1.344 4.014 ( 2.374 0.000 1.468) 2.791 4.163 ( 0.898 0.000 -6.425) 6.487 4.205 ( -1.889 0.000 -2.280) 2.961 4.223 ( 7.319 0.000 2.783) 7.830 4.432 ( -2.133 0.000 0.519) 2.195 4.582 ( -1.768 0.000 -0.178) 1.777 4.628 ( -2.922 0.000 7.149) 7.723 4.660 ( 4.147 0.000 -3.140) 5.202 4.709 ( 0.956 0.000 3.128) 3.271 4.755 ( 0.038 0.000 4.488) 4.488 4.819 ( -2.612 0.000 -4.545) 5.242 4.863 ( 2.330 0.000 2.658) 3.534 4.880 ( 5.253 0.000 6.376) 8.262 4.958 ( 1.954 0.000 3.043) 3.617 5.023 ( -1.462 0.000 -4.724) 4.945 5.061 ( 1.412 0.000 3.171) 3.471 5.103 ( 2.826 0.000 -5.211) 5.928 5.111 ( -0.746 0.000 -1.351) 1.543 5.157 ( -2.986 0.000 -2.251) 3.739 5.255 ( 1.878 0.000 -2.932) 3.482 5.261 ( -1.650 0.000 -5.584) 5.823 5.354 ( -0.727 0.000 -0.595) 0.939 5.359 ( -1.952 0.000 4.998) 5.365 5.420 ( -7.011 0.000 -4.043) 8.093 5.464 ( -0.534 0.000 5.267) 5.294 5.495 ( -1.673 0.000 -1.411) 2.189 5.566 ( 0.079 0.000 -2.422) 2.423 5.600 ( -3.445 0.000 -2.771) 4.421 5.621 ( -0.615 0.000 0.115) 0.625 5.672 ( -2.675 0.000 -0.690) 2.762 5.726 ( 3.850 0.000 -0.699) 3.913 5.774 ( 1.848 0.000 2.512) 3.118 5.809 ( 2.335 0.000 -0.033) 2.336 5.832 ( -0.088 0.000 1.687) 1.689 5.865 ( -0.580 0.000 -4.020) 4.061 5.939 ( -0.303 0.000 -4.155) 4.166 5.940 ( 1.791 0.000 -2.023) 2.702 5.949 ( 0.740 0.000 0.045) 0.742 6.042 ( -2.039 0.000 -2.638) 3.334 6.072 ( -2.753 0.000 0.566) 2.810 6.102 ( -1.094 0.000 -1.373) 1.756 6.162 ( -2.877 0.000 -2.672) 3.927 6.217 ( 2.597 0.000 1.238) 2.877 6.234 ( -3.760 0.000 -1.081) 3.912 6.236 ( 2.070 0.000 0.805) 2.221 6.795 ( -0.634 0.000 -0.407) 0.753 6.829 ( -0.124 0.000 0.147) 0.193 6.847 ( -0.979 0.000 0.131) 0.988 6.906 ( -0.850 0.000 -1.487) 1.712 7.134 ( -4.879 0.000 3.442) 5.971 7.149 ( -5.715 0.000 3.645) 6.778 7.269 ( -0.188 0.000 0.890) 0.910 7.309 ( -0.795 0.000 -0.586) 0.988 7.342 ( -2.259 0.000 1.674) 2.812 7.362 ( -2.164 0.000 2.432) 3.256 7.598 ( 3.099 0.000 -2.455) 3.953 7.648 ( 2.956 0.000 -3.498) 4.580 7.843 ( 2.079 0.000 -1.902) 2.817 7.924 ( 3.259 0.000 -4.304) 5.399 8.096 ( -0.821 0.000 1.456) 1.671 8.162 ( 0.108 0.000 -2.249) 2.251 8.308 ( -1.839 0.000 1.756) 2.543 8.372 ( -2.748 0.000 1.933) 3.360 8.428 ( 0.319 0.000 -1.029) 1.078 8.466 ( -0.496 0.000 -0.705) 0.862 ======================= Grid point 44 (25/50) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 9.103 0.000 12.472) 15.441 1.490 ( 5.244 0.000 6.105) 8.048 1.530 ( 1.914 0.000 2.510) 3.156 1.668 ( 6.679 0.000 9.322) 11.468 1.673 ( 1.711 0.000 11.697) 11.822 1.812 ( -6.695 0.000 -3.652) 7.627 1.856 ( -1.899 0.000 -5.157) 5.495 1.953 ( -2.377 0.000 -5.640) 6.120 2.048 ( -7.063 0.000 0.618) 7.090 2.118 ( 8.303 0.000 14.188) 16.439 2.158 ( -9.159 0.000 -7.397) 11.773 2.182 ( -3.623 0.000 -9.425) 10.098 2.288 ( -3.634 0.000 -3.193) 4.838 2.307 ( -0.326 0.000 -5.865) 5.874 2.336 ( -2.888 0.000 -10.153) 10.556 2.404 ( 1.945 0.000 -1.718) 2.595 2.452 ( 1.033 0.000 4.893) 5.001 2.546 ( 1.196 0.000 1.733) 2.106 2.557 ( -5.740 0.000 -2.835) 6.402 2.649 ( -7.843 0.000 -5.717) 9.705 2.711 ( 4.115 0.000 2.710) 4.927 2.786 ( -0.588 0.000 -1.927) 2.015 2.831 ( -2.565 0.000 -4.210) 4.930 2.888 ( 1.830 0.000 2.136) 2.812 2.979 ( 2.738 0.000 -4.249) 5.055 3.063 ( -5.333 0.000 -0.896) 5.407 3.091 ( 4.051 0.000 8.102) 9.059 3.115 ( -1.794 0.000 -9.057) 9.233 3.144 ( -1.474 0.000 -2.868) 3.224 3.160 ( -5.729 0.000 -4.549) 7.315 3.190 ( -3.838 0.000 -2.183) 4.415 3.321 ( 3.210 0.000 13.383) 13.763 3.380 ( -1.189 0.000 -2.776) 3.020 3.466 ( 6.654 0.000 6.050) 8.993 3.484 ( 2.612 0.000 4.621) 5.308 3.532 ( 4.272 0.000 3.471) 5.504 3.602 ( 0.151 0.000 0.025) 0.153 3.680 ( -5.195 0.000 -3.447) 6.235 3.717 ( -0.660 0.000 -0.528) 0.845 3.866 ( -1.648 0.000 -1.976) 2.573 3.935 ( -4.277 0.000 5.979) 7.351 3.963 ( 0.280 0.000 -3.184) 3.196 4.005 ( 0.389 0.000 0.012) 0.389 4.084 ( 2.346 0.000 -0.050) 2.347 4.106 ( -3.185 0.000 -4.902) 5.846 4.109 ( -2.079 0.000 -2.675) 3.388 4.325 ( -5.867 0.000 -4.145) 7.183 4.350 ( 1.468 0.000 0.616) 1.592 4.543 ( -0.041 0.000 -1.858) 1.858 4.559 ( 0.960 0.000 -1.705) 1.957 4.654 ( -3.312 0.000 -5.830) 6.705 4.702 ( -1.575 0.000 -10.433) 10.551 4.806 ( 3.051 0.000 -1.163) 3.265 4.895 ( 2.005 0.000 4.916) 5.309 4.917 ( 2.102 0.000 0.784) 2.243 4.952 ( -7.587 0.000 -4.889) 9.026 4.987 ( 1.152 0.000 -1.843) 2.174 5.001 ( -0.631 0.000 -2.618) 2.693 5.047 ( 5.263 0.000 6.331) 8.233 5.079 ( 1.718 0.000 -4.788) 5.087 5.101 ( -0.911 0.000 0.494) 1.037 5.130 ( 2.928 0.000 6.007) 6.683 5.240 ( 1.266 0.000 2.910) 3.174 5.247 ( 1.052 0.000 -7.164) 7.241 5.256 ( 0.362 0.000 -2.520) 2.546 5.339 ( -2.994 0.000 0.196) 3.000 5.404 ( -3.651 0.000 1.166) 3.833 5.410 ( 0.182 0.000 3.886) 3.891 5.501 ( 1.021 0.000 0.752) 1.268 5.540 ( 0.910 0.000 -1.564) 1.809 5.557 ( -0.075 0.000 0.203) 0.216 5.706 ( 3.824 0.000 2.586) 4.616 5.714 ( 4.153 0.000 3.875) 5.680 5.788 ( 0.716 0.000 0.062) 0.718 5.813 ( 0.587 0.000 0.954) 1.120 5.826 ( 0.839 0.000 -2.255) 2.406 5.874 ( 1.137 0.000 1.833) 2.156 5.887 ( 1.790 0.000 5.820) 6.089 5.928 ( 0.816 0.000 -1.469) 1.680 5.937 ( -1.568 0.000 0.284) 1.593 5.971 ( -1.387 0.000 -0.349) 1.430 6.002 ( 1.073 0.000 -2.599) 2.812 6.055 ( 1.875 0.000 2.635) 3.234 6.071 ( -3.244 0.000 -0.905) 3.368 6.087 ( 0.973 0.000 -2.416) 2.605 6.169 ( -1.191 0.000 0.515) 1.298 6.283 ( 4.146 0.000 1.379) 4.370 6.308 ( 2.592 0.000 1.946) 3.241 6.771 ( -1.332 0.000 0.467) 1.412 6.837 ( 0.424 0.000 1.058) 1.139 6.848 ( -0.418 0.000 1.777) 1.826 6.902 ( 0.535 0.000 0.879) 1.029 7.077 ( -4.206 0.000 4.266) 5.991 7.090 ( -3.065 0.000 5.643) 6.422 7.255 ( -1.276 0.000 -0.271) 1.304 7.272 ( -1.746 0.000 -0.234) 1.762 7.344 ( 0.813 0.000 3.225) 3.326 7.377 ( 0.018 0.000 4.431) 4.431 7.643 ( 3.219 0.000 -2.308) 3.961 7.676 ( 2.621 0.000 -3.570) 4.429 7.853 ( 0.913 0.000 -3.568) 3.683 7.940 ( 2.231 0.000 -5.865) 6.275 8.060 ( -2.675 0.000 -1.311) 2.979 8.118 ( -1.943 0.000 -4.167) 4.598 8.291 ( -1.300 0.000 2.256) 2.604 8.338 ( -2.070 0.000 2.593) 3.318 8.432 ( 0.629 0.000 -0.512) 0.811 8.451 ( -0.141 0.000 -0.984) 0.994 ======================= Grid point 45 (26/50) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -1.008 0.000 -7.091) 7.162 1.653 ( 1.039 0.000 -4.636) 4.751 1.688 ( -1.590 0.000 -5.039) 5.284 1.703 ( 10.498 0.000 2.206) 10.727 1.796 ( 5.206 0.000 -9.007) 10.403 1.817 ( 3.789 0.000 -0.598) 3.836 1.843 ( 6.779 0.000 9.347) 11.547 1.914 ( 6.951 0.000 -3.525) 7.793 1.926 ( -0.808 0.000 -3.880) 3.963 2.039 ( -2.022 0.000 -9.052) 9.276 2.090 ( -0.150 0.000 -4.022) 4.025 2.178 ( 5.843 0.000 -0.695) 5.885 2.221 ( -1.740 0.000 0.794) 1.913 2.279 ( 2.630 0.000 -3.917) 4.718 2.286 ( 1.267 0.000 -3.716) 3.926 2.393 ( -1.686 0.000 -4.403) 4.715 2.406 ( -1.436 0.000 -5.212) 5.407 2.461 ( 1.589 0.000 -1.640) 2.284 2.577 ( -0.921 0.000 -0.243) 0.953 2.655 ( 0.745 0.000 4.696) 4.755 2.764 ( 0.997 0.000 -3.582) 3.719 2.779 ( -0.594 0.000 -1.809) 1.904 2.813 ( 5.226 0.000 0.148) 5.228 2.857 ( -8.817 0.000 -6.051) 10.694 2.885 ( -3.015 0.000 -1.269) 3.271 2.939 ( -4.977 0.000 -4.410) 6.650 2.975 ( -5.469 0.000 -2.610) 6.059 3.038 ( 4.567 0.000 0.773) 4.632 3.101 ( -3.304 0.000 0.066) 3.304 3.201 ( 3.195 0.000 6.603) 7.335 3.271 ( 2.082 0.000 7.677) 7.954 3.324 ( -4.821 0.000 -6.617) 8.187 3.438 ( -3.604 0.000 -2.080) 4.162 3.451 ( -4.795 0.000 7.737) 9.103 3.457 ( -1.944 0.000 -10.226) 10.410 3.514 ( -3.222 0.000 -4.341) 5.406 3.588 ( -6.920 0.000 3.385) 7.704 3.624 ( -1.682 0.000 8.481) 8.646 3.727 ( -0.945 0.000 1.904) 2.126 3.747 ( -6.174 0.000 -4.299) 7.524 3.826 ( -8.244 0.000 12.012) 14.568 3.832 ( -12.411 0.000 1.178) 12.467 3.962 ( -9.825 0.000 5.559) 11.289 3.972 ( -4.001 0.000 6.554) 7.679 4.141 ( 1.101 0.000 3.665) 3.827 4.185 ( 3.680 0.000 3.585) 5.137 4.208 ( 0.381 0.000 -4.411) 4.427 4.259 ( -6.583 0.000 -2.018) 6.885 4.482 ( -4.491 0.000 -9.155) 10.197 4.505 ( -3.703 0.000 -9.673) 10.357 4.603 ( 2.739 0.000 -4.730) 5.466 4.612 ( 1.977 0.000 -1.655) 2.578 4.754 ( -4.907 0.000 -8.362) 9.695 4.804 ( -2.478 0.000 -7.613) 8.006 4.859 ( -5.202 0.000 -6.718) 8.497 4.868 ( -6.089 0.000 -0.266) 6.094 5.012 ( 5.028 0.000 -2.371) 5.559 5.021 ( 5.181 0.000 -1.483) 5.389 5.062 ( 2.144 0.000 -5.087) 5.521 5.149 ( 5.425 0.000 -8.119) 9.765 5.205 ( 1.145 0.000 -3.380) 3.568 5.223 ( 2.950 0.000 4.796) 5.631 5.232 ( -0.266 0.000 3.350) 3.360 5.285 ( 3.099 0.000 0.202) 3.106 5.324 ( 3.091 0.000 10.279) 10.734 5.350 ( 6.154 0.000 6.765) 9.145 5.454 ( 3.191 0.000 3.446) 4.696 5.503 ( 4.471 0.000 2.985) 5.376 5.545 ( 0.074 0.000 3.006) 3.007 5.558 ( 2.201 0.000 1.161) 2.489 5.581 ( 2.623 0.000 0.604) 2.692 5.695 ( -4.092 0.000 -3.576) 5.434 5.752 ( -1.052 0.000 0.036) 1.053 5.780 ( -2.894 0.000 0.059) 2.894 5.814 ( 0.820 0.000 2.050) 2.207 5.840 ( -0.316 0.000 0.250) 0.403 5.878 ( -3.690 0.000 1.485) 3.978 5.897 ( -2.671 0.000 -2.153) 3.431 5.912 ( 0.910 0.000 0.551) 1.064 5.947 ( 2.854 0.000 0.307) 2.870 5.958 ( -1.832 0.000 -1.835) 2.593 6.006 ( 1.719 0.000 2.638) 3.149 6.055 ( 4.936 0.000 -0.514) 4.963 6.092 ( 2.099 0.000 -5.506) 5.893 6.199 ( 5.085 0.000 7.187) 8.804 6.236 ( 4.244 0.000 5.259) 6.757 6.341 ( 0.283 0.000 0.690) 0.745 6.391 ( 3.592 0.000 2.624) 4.448 6.765 ( 0.064 0.000 2.015) 2.016 6.853 ( -0.819 0.000 3.022) 3.131 6.854 ( -0.024 0.000 1.428) 1.428 6.919 ( -0.261 0.000 1.180) 1.209 7.055 ( -1.299 0.000 4.820) 4.992 7.108 ( -0.337 0.000 6.855) 6.863 7.230 ( -0.289 0.000 -0.177) 0.339 7.277 ( 2.308 0.000 0.759) 2.430 7.405 ( 1.585 0.000 5.137) 5.376 7.418 ( -0.092 0.000 5.501) 5.501 7.685 ( 2.482 0.000 -2.028) 3.205 7.695 ( 1.830 0.000 -2.569) 3.154 7.825 ( -0.311 0.000 -4.536) 4.546 7.916 ( 0.608 0.000 -7.902) 7.925 7.979 ( -3.125 0.000 -4.080) 5.139 8.034 ( -2.220 0.000 -5.825) 6.234 8.295 ( -0.420 0.000 2.684) 2.716 8.333 ( -0.676 0.000 2.986) 3.062 8.444 ( 0.877 0.000 -0.387) 0.958 8.449 ( 0.606 0.000 -0.902) 1.087 ======================= Grid point 46 (27/50) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -18.809 0.000 -10.459) 21.522 1.326 ( -15.632 0.000 -0.454) 15.638 1.750 ( 7.432 0.000 -4.208) 8.541 1.799 ( 0.155 0.000 1.280) 1.290 1.870 ( -2.606 0.000 -8.910) 9.284 1.881 ( 4.694 0.000 -4.455) 6.472 1.968 ( 8.711 0.000 -2.218) 8.989 2.029 ( 5.210 0.000 2.600) 5.823 2.077 ( 11.779 0.000 -5.730) 13.099 2.088 ( 15.569 0.000 -7.249) 17.173 2.107 ( 4.339 0.000 -0.590) 4.379 2.196 ( 1.468 0.000 -5.987) 6.164 2.241 ( 3.102 0.000 0.812) 3.207 2.365 ( 6.193 0.000 -9.710) 11.517 2.392 ( 6.645 0.000 2.291) 7.029 2.426 ( -8.614 0.000 -3.567) 9.323 2.453 ( 4.684 0.000 -1.515) 4.923 2.502 ( 2.198 0.000 0.494) 2.252 2.570 ( 12.462 0.000 7.872) 14.740 2.610 ( 3.465 0.000 -3.257) 4.756 2.651 ( -0.133 0.000 -5.143) 5.145 2.743 ( -1.797 0.000 -3.732) 4.142 2.758 ( -7.165 0.000 4.639) 8.535 2.816 ( -1.238 0.000 -1.024) 1.607 2.829 ( -3.299 0.000 -2.320) 4.033 2.901 ( 2.883 0.000 -5.551) 6.255 2.930 ( -1.489 0.000 0.294) 1.518 3.050 ( -2.145 0.000 -0.339) 2.171 3.065 ( -6.866 0.000 -5.546) 8.826 3.189 ( -1.788 0.000 -2.287) 2.902 3.214 ( 5.198 0.000 -1.441) 5.394 3.251 ( -5.900 0.000 -1.312) 6.044 3.319 ( -8.460 0.000 -6.666) 10.771 3.370 ( -13.258 0.000 6.865) 14.931 3.410 ( -0.467 0.000 2.021) 2.074 3.476 ( 4.586 0.000 -1.770) 4.916 3.506 ( 0.082 0.000 7.448) 7.448 3.567 ( -14.796 0.000 10.441) 18.108 3.578 ( -10.078 0.000 6.721) 12.114 3.619 ( -3.240 0.000 0.895) 3.362 3.698 ( -3.054 0.000 3.026) 4.299 3.777 ( -12.241 0.000 8.796) 15.073 3.855 ( -2.272 0.000 7.018) 7.377 3.870 ( -11.165 0.000 7.380) 13.383 4.123 ( -3.125 0.000 0.324) 3.141 4.163 ( 0.567 0.000 1.227) 1.351 4.235 ( 2.190 0.000 4.097) 4.646 4.345 ( 4.338 0.000 5.885) 7.311 4.365 ( -2.586 0.000 -7.036) 7.496 4.418 ( 1.805 0.000 -6.094) 6.356 4.508 ( -4.620 0.000 -5.899) 7.493 4.607 ( -4.866 0.000 -4.867) 6.883 4.650 ( -2.690 0.000 -8.213) 8.642 4.657 ( -0.492 0.000 -4.786) 4.811 4.680 ( -6.056 0.000 -5.949) 8.489 4.812 ( 2.348 0.000 -3.516) 4.228 4.980 ( 0.525 0.000 -6.253) 6.275 5.063 ( 0.320 0.000 -1.159) 1.202 5.172 ( 6.374 0.000 1.126) 6.473 5.199 ( 7.413 0.000 -5.440) 9.195 5.263 ( 0.423 0.000 -0.647) 0.773 5.304 ( 4.064 0.000 0.840) 4.150 5.335 ( 2.757 0.000 1.785) 3.284 5.346 ( 0.010 0.000 3.361) 3.361 5.386 ( 3.662 0.000 6.758) 7.686 5.416 ( -5.179 0.000 -2.720) 5.850 5.533 ( -2.439 0.000 1.009) 2.639 5.534 ( 3.924 0.000 2.759) 4.796 5.592 ( -0.986 0.000 -0.875) 1.318 5.605 ( 1.138 0.000 2.418) 2.672 5.635 ( 3.602 0.000 1.152) 3.782 5.668 ( 2.156 0.000 1.844) 2.837 5.740 ( 0.497 0.000 -0.441) 0.665 5.749 ( 0.501 0.000 1.233) 1.331 5.765 ( -4.268 0.000 -1.947) 4.691 5.832 ( -0.748 0.000 -0.773) 1.076 5.845 ( 1.688 0.000 -0.165) 1.696 5.882 ( -0.096 0.000 1.362) 1.365 5.923 ( 1.539 0.000 -0.102) 1.543 5.932 ( 1.804 0.000 0.187) 1.814 6.007 ( 2.136 0.000 -1.990) 2.919 6.045 ( -0.776 0.000 -9.845) 9.876 6.071 ( 1.942 0.000 0.575) 2.025 6.156 ( 3.994 0.000 0.317) 4.007 6.312 ( 1.482 0.000 4.495) 4.733 6.340 ( -1.034 0.000 1.661) 1.956 6.367 ( 3.755 0.000 4.877) 6.155 6.451 ( 1.422 0.000 0.127) 1.428 6.822 ( 3.778 0.000 4.433) 5.824 6.853 ( -0.832 0.000 0.702) 1.088 6.864 ( -0.972 0.000 3.796) 3.919 6.911 ( -0.089 0.000 -0.038) 0.097 7.098 ( 1.812 0.000 4.053) 4.440 7.165 ( 0.395 0.000 5.963) 5.976 7.244 ( 0.820 0.000 1.025) 1.312 7.367 ( 4.969 0.000 1.574) 5.213 7.446 ( -1.429 0.000 4.918) 5.121 7.472 ( 0.547 0.000 5.436) 5.463 7.686 ( 0.113 0.000 -2.582) 2.584 7.731 ( 2.311 0.000 -0.086) 2.313 7.787 ( 0.287 0.000 -3.050) 3.063 7.841 ( -1.308 0.000 -9.106) 9.200 7.884 ( -2.575 0.000 -5.335) 5.924 7.952 ( -0.996 0.000 -6.605) 6.680 8.309 ( -0.375 0.000 2.567) 2.594 8.351 ( -0.099 0.000 3.057) 3.059 8.454 ( 0.806 0.000 -1.268) 1.503 8.460 ( 0.739 0.000 -0.316) 0.804 ======================= Grid point 47 (28/50) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -13.226 0.000 10.336) 16.786 1.062 ( -14.097 0.000 11.764) 18.361 1.796 ( 6.608 0.000 -7.382) 9.908 1.830 ( 1.381 0.000 -2.389) 2.759 1.870 ( -3.130 0.000 2.327) 3.900 1.903 ( 1.856 0.000 5.040) 5.371 2.050 ( -13.618 0.000 -2.668) 13.877 2.068 ( -10.121 0.000 10.226) 14.388 2.112 ( -0.304 0.000 4.475) 4.485 2.130 ( 7.222 0.000 1.822) 7.448 2.219 ( 6.429 0.000 -0.782) 6.476 2.276 ( -7.388 0.000 7.418) 10.470 2.362 ( 13.949 0.000 -8.393) 16.280 2.373 ( 1.514 0.000 -3.620) 3.924 2.402 ( 10.309 0.000 -10.667) 14.835 2.461 ( 5.652 0.000 0.857) 5.717 2.507 ( 5.076 0.000 -5.018) 7.137 2.599 ( -0.003 0.000 2.020) 2.020 2.649 ( -3.627 0.000 -0.675) 3.690 2.703 ( 11.570 0.000 -5.145) 12.662 2.709 ( 6.303 0.000 2.690) 6.853 2.758 ( 2.721 0.000 1.687) 3.202 2.778 ( 1.091 0.000 -3.627) 3.787 2.844 ( 6.126 0.000 3.454) 7.033 2.861 ( -2.188 0.000 -2.570) 3.375 2.870 ( 0.756 0.000 -6.216) 6.262 2.890 ( 8.620 0.000 -12.902) 15.517 2.957 ( -5.517 0.000 -2.051) 5.886 3.010 ( 9.313 0.000 4.213) 10.221 3.119 ( -3.158 0.000 -4.562) 5.549 3.145 ( -0.611 0.000 -0.960) 1.139 3.183 ( -5.631 0.000 -1.391) 5.800 3.196 ( -13.455 0.000 6.155) 14.796 3.298 ( 4.321 0.000 3.987) 5.879 3.340 ( -1.436 0.000 3.333) 3.629 3.393 ( -5.622 0.000 2.845) 6.301 3.435 ( -9.392 0.000 4.353) 10.352 3.495 ( -6.012 0.000 6.511) 8.862 3.540 ( -5.424 0.000 2.384) 5.924 3.633 ( -3.582 0.000 -1.357) 3.830 3.639 ( -5.247 0.000 3.798) 6.478 3.676 ( 4.358 0.000 3.310) 5.472 3.774 ( -0.836 0.000 5.373) 5.438 3.813 ( -4.670 0.000 0.254) 4.677 4.129 ( 2.747 0.000 -0.951) 2.907 4.236 ( 0.839 0.000 2.153) 2.311 4.257 ( -0.224 0.000 -0.071) 0.235 4.330 ( -2.758 0.000 1.356) 3.073 4.351 ( 2.285 0.000 2.006) 3.041 4.442 ( -0.550 0.000 0.205) 0.587 4.444 ( 1.980 0.000 1.133) 2.281 4.515 ( -0.403 0.000 1.164) 1.232 4.529 ( -2.678 0.000 -4.874) 5.561 4.561 ( -1.790 0.000 -2.401) 2.995 4.697 ( 4.071 0.000 -0.173) 4.075 4.794 ( -0.199 0.000 -2.375) 2.383 5.007 ( 3.239 0.000 -5.340) 6.245 5.049 ( -1.279 0.000 -2.641) 2.934 5.213 ( -1.477 0.000 1.007) 1.787 5.233 ( -5.115 0.000 -1.890) 5.453 5.259 ( -0.345 0.000 3.971) 3.986 5.318 ( 4.044 0.000 -4.765) 6.250 5.343 ( -1.150 0.000 0.907) 1.465 5.362 ( -1.235 0.000 3.330) 3.552 5.372 ( -4.701 0.000 2.410) 5.282 5.465 ( 2.577 0.000 0.307) 2.595 5.529 ( 0.405 0.000 2.995) 3.022 5.561 ( -3.218 0.000 -2.192) 3.893 5.578 ( -0.070 0.000 -0.798) 0.801 5.621 ( 1.267 0.000 0.722) 1.458 5.675 ( 1.694 0.000 -2.145) 2.734 5.699 ( 0.960 0.000 1.471) 1.756 5.722 ( 0.651 0.000 -0.483) 0.811 5.772 ( 2.930 0.000 -1.266) 3.192 5.797 ( 1.344 0.000 1.381) 1.927 5.829 ( 0.724 0.000 -1.206) 1.407 5.889 ( 2.945 0.000 -2.615) 3.938 5.920 ( 4.029 0.000 -1.057) 4.165 5.925 ( -1.946 0.000 -8.203) 8.431 5.966 ( 2.491 0.000 -1.239) 2.782 5.991 ( 2.546 0.000 1.068) 2.761 5.997 ( -0.303 0.000 -3.397) 3.410 6.075 ( -0.750 0.000 -2.476) 2.587 6.196 ( 0.835 0.000 -2.436) 2.575 6.321 ( -2.381 0.000 0.917) 2.552 6.335 ( -1.710 0.000 2.673) 3.174 6.428 ( -0.000 0.000 0.894) 0.894 6.453 ( -0.185 0.000 -2.949) 2.954 6.838 ( -0.626 0.000 0.047) 0.628 6.857 ( -2.648 0.000 3.201) 4.155 6.944 ( 2.513 0.000 1.474) 2.913 6.986 ( 7.775 0.000 3.761) 8.637 7.173 ( 2.464 0.000 2.054) 3.208 7.202 ( 0.548 0.000 3.183) 3.229 7.252 ( -0.831 0.000 0.172) 0.849 7.430 ( -2.705 0.000 1.861) 3.283 7.449 ( 1.793 0.000 -0.415) 1.841 7.499 ( -1.330 0.000 3.256) 3.517 7.656 ( -1.395 0.000 -1.634) 2.148 7.703 ( -3.453 0.000 -7.943) 8.661 7.803 ( -0.635 0.000 -3.770) 3.823 7.821 ( 4.397 0.000 2.673) 5.145 7.829 ( 3.693 0.000 2.148) 4.272 7.892 ( 0.086 0.000 -6.150) 6.150 8.319 ( -0.424 0.000 2.345) 2.383 8.370 ( -0.347 0.000 2.642) 2.665 8.455 ( 0.392 0.000 -1.652) 1.698 8.469 ( 0.566 0.000 -0.629) 0.846 ======================= Grid point 48 (29/50) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -4.257 0.000 24.102) 24.475 1.054 ( 3.471 0.000 30.130) 30.329 1.728 ( -12.597 0.000 -3.121) 12.978 1.736 ( -7.119 0.000 0.033) 7.120 1.812 ( -12.025 0.000 14.120) 18.547 1.913 ( -19.997 0.000 23.533) 30.881 1.938 ( -1.266 0.000 5.545) 5.687 1.982 ( 6.978 0.000 4.480) 8.292 2.036 ( -6.574 0.000 11.697) 13.418 2.240 ( -1.327 0.000 3.162) 3.429 2.285 ( 4.656 0.000 -4.725) 6.634 2.305 ( 5.947 0.000 -4.927) 7.723 2.338 ( 0.031 0.000 0.268) 0.270 2.418 ( 0.681 0.000 -3.502) 3.568 2.477 ( -1.228 0.000 -10.169) 10.242 2.519 ( 0.362 0.000 -3.628) 3.646 2.575 ( -0.908 0.000 1.176) 1.486 2.647 ( 4.948 0.000 8.012) 9.416 2.673 ( 0.788 0.000 5.510) 5.566 2.724 ( -3.679 0.000 6.071) 7.099 2.758 ( -1.403 0.000 0.705) 1.570 2.800 ( 4.141 0.000 -0.454) 4.165 2.814 ( 2.765 0.000 -1.369) 3.085 2.860 ( 3.299 0.000 -2.410) 4.085 2.928 ( 2.195 0.000 -9.530) 9.780 3.004 ( 0.482 0.000 0.730) 0.875 3.025 ( 8.042 0.000 -2.942) 8.564 3.037 ( 10.750 0.000 -1.020) 10.799 3.065 ( 3.237 0.000 -4.589) 5.615 3.105 ( 2.410 0.000 9.888) 10.178 3.138 ( 10.222 0.000 -3.140) 10.693 3.210 ( 6.303 0.000 -4.950) 8.015 3.211 ( 3.575 0.000 4.025) 5.383 3.235 ( -2.384 0.000 -1.471) 2.802 3.267 ( -0.141 0.000 3.428) 3.430 3.325 ( -5.808 0.000 -4.609) 7.414 3.349 ( -0.127 0.000 0.436) 0.454 3.512 ( -6.497 0.000 -6.012) 8.852 3.522 ( 8.254 0.000 0.428) 8.265 3.564 ( -5.519 0.000 -0.358) 5.531 3.598 ( 2.568 0.000 2.643) 3.685 3.676 ( 4.464 0.000 -5.444) 7.041 3.801 ( 3.532 0.000 2.625) 4.401 3.860 ( 1.166 0.000 2.915) 3.139 4.160 ( 1.097 0.000 -3.939) 4.089 4.168 ( -1.402 0.000 -0.809) 1.619 4.263 ( 0.248 0.000 0.673) 0.717 4.349 ( 0.334 0.000 -3.864) 3.878 4.442 ( 4.395 0.000 10.741) 11.605 4.462 ( -1.638 0.000 -1.270) 2.072 4.522 ( 5.321 0.000 10.248) 11.547 4.534 ( 1.817 0.000 4.056) 4.445 4.556 ( 4.160 0.000 2.479) 4.842 4.624 ( 5.665 0.000 4.311) 7.119 4.782 ( 2.230 0.000 4.150) 4.711 4.819 ( 2.035 0.000 5.041) 5.436 4.933 ( -7.032 0.000 -1.160) 7.127 5.007 ( 2.786 0.000 -6.231) 6.825 5.187 ( -1.258 0.000 1.166) 1.715 5.196 ( -1.401 0.000 -2.100) 2.524 5.237 ( -5.620 0.000 1.170) 5.741 5.250 ( -5.775 0.000 5.252) 7.806 5.259 ( -4.542 0.000 2.298) 5.091 5.306 ( -2.288 0.000 -7.571) 7.909 5.363 ( -1.767 0.000 0.605) 1.867 5.484 ( -0.527 0.000 -1.252) 1.359 5.505 ( -3.422 0.000 -0.863) 3.529 5.547 ( 3.647 0.000 -0.638) 3.702 5.596 ( 2.115 0.000 -1.096) 2.382 5.615 ( -1.213 0.000 -2.993) 3.229 5.663 ( -2.967 0.000 -1.687) 3.413 5.686 ( 1.188 0.000 -3.049) 3.272 5.730 ( -0.043 0.000 -1.204) 1.204 5.791 ( -0.130 0.000 -1.397) 1.403 5.810 ( 2.603 0.000 -0.392) 2.632 5.840 ( -2.937 0.000 -4.497) 5.372 5.857 ( 1.412 0.000 -1.788) 2.278 5.939 ( 1.897 0.000 -2.283) 2.968 5.970 ( 0.720 0.000 -2.283) 2.394 5.999 ( 2.096 0.000 -2.721) 3.434 6.014 ( -1.659 0.000 -4.095) 4.418 6.020 ( 4.088 0.000 2.004) 4.553 6.045 ( 2.710 0.000 0.011) 2.710 6.166 ( -0.844 0.000 -3.532) 3.631 6.243 ( -5.065 0.000 -1.974) 5.436 6.297 ( -3.428 0.000 1.356) 3.686 6.389 ( -3.011 0.000 -5.584) 6.344 6.393 ( -2.719 0.000 -1.616) 3.163 6.819 ( -2.530 0.000 1.522) 2.953 6.834 ( -0.012 0.000 0.331) 0.331 6.986 ( 0.258 0.000 -0.629) 0.680 7.025 ( -3.244 0.000 -4.712) 5.720 7.233 ( -0.439 0.000 0.918) 1.017 7.235 ( 1.255 0.000 1.718) 2.127 7.264 ( 1.640 0.000 1.592) 2.285 7.377 ( -2.982 0.000 -0.069) 2.983 7.439 ( -1.922 0.000 -0.570) 2.005 7.473 ( -2.273 0.000 -0.063) 2.273 7.588 ( -1.788 0.000 -4.425) 4.772 7.616 ( -0.891 0.000 -1.599) 1.830 7.782 ( 1.139 0.000 -1.863) 2.184 7.862 ( 2.003 0.000 -4.689) 5.098 7.959 ( 4.872 0.000 5.044) 7.013 7.997 ( 8.625 0.000 4.367) 9.667 8.331 ( -0.252 0.000 2.165) 2.179 8.379 ( -0.592 0.000 2.355) 2.428 8.445 ( 0.123 0.000 -1.853) 1.858 8.474 ( 0.470 0.000 -0.671) 0.820 ======================= Grid point 49 (30/50) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 2.392 -1.480 24.124) 24.287 1.255 ( -3.665 -12.512 12.469) 18.041 1.398 ( -15.078 6.673 26.678) 31.362 1.539 ( -18.830 -8.022 21.718) 29.843 1.863 ( -9.467 9.048 6.807) 14.759 1.936 ( -5.213 6.436 1.943) 8.507 2.022 ( -5.640 3.861 1.669) 7.035 2.028 ( 2.582 15.141 20.528) 25.638 2.147 ( -7.300 -5.034 3.115) 9.399 2.216 ( 1.481 5.158 -3.169) 6.232 2.265 ( 3.539 -4.346 1.048) 5.702 2.284 ( 1.658 -3.739 -2.518) 4.803 2.310 ( 2.553 2.993 1.163) 4.103 2.449 ( 1.843 -6.148 0.330) 6.427 2.466 ( -1.402 1.785 -1.720) 2.848 2.489 ( -6.785 1.385 1.548) 7.096 2.557 ( -4.143 -7.013 5.233) 9.681 2.568 ( -2.803 -3.021 2.867) 5.020 2.614 ( 0.555 -0.089 -0.908) 1.068 2.698 ( 0.086 -7.164 10.308) 12.554 2.742 ( -1.515 1.415 1.219) 2.404 2.769 ( -0.490 -0.380 0.939) 1.126 2.857 ( 2.806 -0.217 -1.473) 3.176 2.860 ( 3.065 0.273 -0.857) 3.195 2.976 ( -2.581 -0.629 2.759) 3.831 2.989 ( -4.733 -1.102 0.541) 4.889 3.034 ( -1.357 3.577 -2.269) 4.448 3.043 ( 2.409 1.007 -0.972) 2.787 3.078 ( 2.650 -2.706 1.020) 3.922 3.146 ( -0.059 -5.303 -3.208) 6.199 3.175 ( 4.395 0.370 -1.819) 4.771 3.229 ( 3.693 -4.547 -5.261) 7.874 3.356 ( 10.257 1.271 -1.148) 10.399 3.376 ( 5.259 3.133 -8.960) 10.851 3.389 ( 5.720 -0.544 -0.018) 5.746 3.443 ( 10.137 -0.701 -9.141) 13.668 3.513 ( 7.071 2.132 -2.912) 7.939 3.537 ( 5.190 1.102 -1.300) 5.462 3.611 ( 2.595 4.916 1.504) 5.759 3.625 ( 3.457 5.824 1.320) 6.900 3.729 ( 9.791 3.611 -5.384) 11.743 3.755 ( 5.770 3.014 -0.250) 6.514 3.838 ( 5.420 -7.133 1.068) 9.022 3.857 ( 5.543 -6.031 2.101) 8.457 4.162 ( 0.326 3.222 -0.775) 3.330 4.203 ( -0.588 -0.950 -2.458) 2.700 4.280 ( 0.847 5.672 2.248) 6.159 4.379 ( 0.914 -4.581 1.091) 4.797 4.544 ( 4.486 2.768 4.705) 7.066 4.579 ( 3.780 -1.888 7.543) 8.646 4.603 ( 3.010 1.033 4.790) 5.751 4.623 ( 2.392 -0.351 2.752) 3.663 4.737 ( 1.424 2.627 0.021) 2.988 4.772 ( 5.142 0.815 4.075) 6.611 4.803 ( 2.614 0.561 6.577) 7.100 4.858 ( -1.372 -3.096 1.906) 3.886 4.902 ( 1.095 -2.850 6.974) 7.613 4.959 ( -2.222 -4.656 1.020) 5.259 5.047 ( 0.355 0.467 -2.128) 2.207 5.082 ( -1.935 -2.490 -0.848) 3.266 5.155 ( -3.450 3.098 2.557) 5.295 5.220 ( -0.095 -2.435 0.006) 2.437 5.257 ( -1.648 3.044 -3.357) 4.822 5.296 ( -1.273 0.039 -3.226) 3.468 5.345 ( -0.748 2.220 0.842) 2.489 5.402 ( -2.325 -2.698 -0.477) 3.593 5.502 ( -2.490 4.243 -3.654) 6.128 5.551 ( -1.983 -0.982 -3.516) 4.155 5.600 ( -1.642 1.881 -3.384) 4.206 5.610 ( -0.107 1.809 -2.237) 2.879 5.636 ( 0.847 -0.275 -2.431) 2.589 5.660 ( 0.697 -1.915 -3.038) 3.658 5.718 ( -1.090 -0.663 -0.492) 1.367 5.727 ( -2.543 -1.316 -1.537) 3.250 5.764 ( -2.157 2.582 -2.148) 3.992 5.806 ( -0.996 -0.931 -2.433) 2.789 5.860 ( -1.125 0.639 -1.620) 2.073 5.880 ( -1.432 -2.066 -2.550) 3.581 5.957 ( -1.378 0.177 -4.390) 4.605 5.961 ( -1.142 -0.344 -4.091) 4.261 6.036 ( 1.654 3.395 -1.224) 3.970 6.079 ( 1.238 -1.093 -0.215) 1.665 6.094 ( 0.279 1.363 -1.047) 1.741 6.124 ( -0.418 -1.131 -2.835) 3.081 6.156 ( -0.789 0.245 0.634) 1.042 6.192 ( -3.026 -2.861 -1.688) 4.493 6.295 ( -3.806 1.489 -2.348) 4.713 6.312 ( -3.599 -0.415 -2.129) 4.202 6.804 ( -0.552 0.633 0.345) 0.908 6.821 ( -0.761 -1.045 0.170) 1.304 6.924 ( -2.704 1.210 -2.716) 4.019 6.943 ( -1.840 -0.761 -2.422) 3.136 7.208 ( -3.997 0.376 1.418) 4.257 7.224 ( -4.590 -1.020 1.584) 4.961 7.286 ( -0.467 2.336 1.194) 2.665 7.319 ( -1.179 -1.027 0.254) 1.585 7.391 ( -2.932 0.687 0.518) 3.055 7.408 ( -2.984 -0.896 0.027) 3.115 7.576 ( 1.852 1.031 -2.564) 3.327 7.601 ( 2.214 -1.420 -2.658) 3.740 7.830 ( 2.556 1.962 -1.641) 3.617 7.869 ( 3.112 -1.792 -2.961) 4.655 8.083 ( 2.602 1.777 2.704) 4.152 8.122 ( 3.486 -1.970 0.598) 4.048 8.336 ( -1.444 0.726 1.937) 2.523 8.362 ( -1.007 -1.972 2.058) 3.023 8.452 ( 0.110 1.148 -1.034) 1.549 8.469 ( 0.063 -0.656 -0.689) 0.953 ======================= Grid point 50 (31/50) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -5.627 2.580 21.090) 21.980 1.335 ( -3.042 -5.178 15.858) 16.957 1.467 ( -0.245 -1.091 19.778) 19.810 1.547 ( 8.207 -8.769 24.451) 27.242 1.733 ( -10.183 8.363 9.098) 16.013 1.766 ( -6.172 11.775 -2.210) 13.477 1.892 ( -8.345 -5.180 4.333) 10.736 1.981 ( -8.021 -7.088 -3.804) 11.360 2.108 ( -4.682 5.416 -7.780) 10.573 2.234 ( -0.843 6.495 2.702) 7.085 2.240 ( -6.258 -6.286 -7.300) 11.487 2.317 ( -1.749 -1.841 -2.807) 3.785 2.334 ( 2.465 2.436 2.502) 4.275 2.367 ( -0.265 -1.732 -0.611) 1.856 2.402 ( -1.464 0.980 -1.981) 2.651 2.459 ( -2.118 -2.262 -1.311) 3.365 2.500 ( -3.385 2.954 5.423) 7.042 2.567 ( 0.697 3.919 -0.128) 3.983 2.623 ( -7.559 -1.531 -5.137) 9.267 2.659 ( -1.282 -0.171 2.389) 2.717 2.722 ( -1.355 -5.413 2.840) 6.261 2.735 ( 1.190 -6.464 3.076) 7.256 2.879 ( -0.930 1.836 -0.332) 2.085 2.901 ( 0.447 0.115 0.496) 0.677 2.976 ( 1.405 6.330 -2.573) 6.976 3.040 ( 4.720 2.173 -0.884) 5.271 3.080 ( 4.254 -2.005 4.156) 6.277 3.100 ( 1.625 -2.567 2.342) 3.836 3.175 ( 3.407 3.808 0.729) 5.162 3.215 ( 6.018 4.609 5.950) 9.636 3.282 ( -0.679 4.662 -3.186) 5.687 3.292 ( 2.211 -5.673 3.474) 7.010 3.312 ( 5.074 -4.550 4.848) 8.364 3.366 ( -4.057 -1.108 -5.264) 6.738 3.445 ( -0.219 0.177 -4.434) 4.443 3.483 ( -1.354 -3.636 -7.617) 8.549 3.530 ( 0.912 5.590 -2.904) 6.365 3.630 ( 2.664 -2.413 0.020) 3.595 3.715 ( 8.806 1.087 -3.389) 9.498 3.772 ( 9.638 -4.840 -3.461) 11.327 3.844 ( 6.091 3.946 0.949) 7.320 3.915 ( 5.429 -1.334 4.017) 6.885 3.974 ( 5.457 0.355 -1.453) 5.659 4.004 ( 6.436 -1.260 -0.962) 6.628 4.173 ( 0.733 1.567 -4.408) 4.735 4.203 ( 2.588 -0.900 -0.140) 2.744 4.285 ( -1.010 4.900 -2.299) 5.506 4.376 ( -2.861 -4.745 0.857) 5.607 4.591 ( -2.251 1.592 0.293) 2.773 4.613 ( -4.078 -1.409 -0.392) 4.332 4.636 ( 3.068 -0.703 -3.037) 4.373 4.674 ( 1.168 -3.750 -0.498) 3.959 4.794 ( 5.816 1.407 3.061) 6.721 4.821 ( 2.336 3.030 6.790) 7.794 4.877 ( -0.207 0.693 6.334) 6.375 4.928 ( -0.707 1.589 4.053) 4.411 4.983 ( 1.718 2.620 2.823) 4.218 5.021 ( 0.617 -0.352 2.029) 2.150 5.046 ( 2.083 -1.714 -3.270) 4.239 5.060 ( 0.761 -3.406 -0.544) 3.532 5.152 ( -0.165 4.221 -2.855) 5.099 5.189 ( -2.533 2.896 -1.588) 4.162 5.226 ( -1.267 -1.737 -1.718) 2.752 5.236 ( 4.378 -3.760 -0.992) 5.856 5.345 ( -1.302 0.252 -2.380) 2.724 5.361 ( -2.959 -0.701 -0.594) 3.098 5.420 ( -2.816 0.657 0.047) 2.892 5.454 ( -2.981 -1.346 1.816) 3.741 5.525 ( -3.305 2.630 -3.622) 5.564 5.556 ( -2.815 -0.648 -3.999) 4.934 5.598 ( -2.146 0.038 -2.745) 3.485 5.624 ( -0.788 -1.907 -1.934) 2.828 5.672 ( -0.231 2.191 0.651) 2.297 5.718 ( 1.657 -1.957 -0.161) 2.569 5.775 ( 2.403 1.542 0.015) 2.855 5.811 ( 2.004 -1.301 -0.835) 2.531 5.848 ( 0.724 0.985 1.726) 2.115 5.853 ( 0.223 0.087 -0.443) 0.504 5.911 ( 0.239 -0.027 -2.494) 2.506 5.927 ( 1.193 -1.189 -2.071) 2.670 6.020 ( -1.019 2.832 -1.706) 3.459 6.041 ( -2.290 -0.254 -2.366) 3.303 6.068 ( -1.866 0.849 -0.527) 2.117 6.100 ( -0.845 -1.150 -1.189) 1.857 6.174 ( -1.088 1.430 -0.953) 2.034 6.203 ( 2.388 -1.249 1.281) 2.984 6.225 ( -2.835 -0.602 -1.005) 3.068 6.227 ( -0.306 -0.709 -0.036) 0.773 6.799 ( -0.508 0.389 -0.051) 0.642 6.811 ( -0.276 -0.946 0.376) 1.055 6.874 ( -0.909 1.691 -0.724) 2.052 6.898 ( -0.876 -0.853 -1.338) 1.812 7.133 ( -4.947 0.125 3.486) 6.054 7.141 ( -5.393 -0.621 3.528) 6.475 7.282 ( -0.691 1.198 0.537) 1.483 7.303 ( -1.014 -0.775 -0.096) 1.280 7.348 ( -2.096 0.575 1.807) 2.827 7.358 ( -2.075 -0.435 2.301) 3.129 7.609 ( 3.102 1.103 -2.638) 4.219 7.634 ( 3.020 -1.328 -3.123) 4.543 7.865 ( 2.313 2.013 -2.482) 3.945 7.905 ( 2.876 -1.875 -3.613) 4.984 8.113 ( -0.481 1.655 0.329) 1.755 8.147 ( -0.041 -1.558 -1.575) 2.216 8.317 ( -1.884 0.934 1.989) 2.894 8.345 ( -2.171 -1.997 2.087) 3.613 8.443 ( -0.180 1.053 -0.760) 1.311 8.460 ( -0.412 -0.654 -0.698) 1.041 ======================= Grid point 51 (32/50) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 8.472 1.310 11.371) 14.241 1.463 ( 7.322 -2.271 8.655) 11.562 1.574 ( -2.073 4.635 1.153) 5.207 1.672 ( -3.041 -3.508 -2.030) 5.067 1.741 ( 0.436 4.467 4.677) 6.482 1.770 ( 4.523 5.060 11.339) 13.215 1.848 ( -1.921 -4.373 -2.650) 5.462 1.923 ( 1.640 -6.882 8.544) 11.093 1.983 ( 1.192 -0.758 0.335) 1.452 2.048 ( -4.608 -6.585 -8.685) 11.833 2.138 ( -4.087 2.840 -5.958) 7.763 2.189 ( -4.127 0.038 -4.716) 6.267 2.278 ( -3.855 2.295 -5.098) 6.790 2.390 ( -0.938 -2.778 -4.569) 5.428 2.408 ( 2.130 2.593 1.944) 3.878 2.434 ( -0.935 0.852 0.642) 1.418 2.470 ( -0.543 3.747 0.683) 3.847 2.507 ( -0.360 6.266 -3.031) 6.970 2.537 ( -1.960 -1.517 -1.026) 2.682 2.649 ( -3.006 -5.481 -1.224) 6.370 2.745 ( 3.563 0.131 4.598) 5.819 2.779 ( -3.800 1.810 0.639) 4.258 2.864 ( 0.260 -0.327 -4.011) 4.033 2.879 ( -0.818 -0.056 -5.145) 5.210 2.908 ( 0.469 0.503 -5.337) 5.381 3.018 ( -5.669 -7.321 -9.637) 13.364 3.093 ( -2.299 1.885 2.257) 3.733 3.100 ( -3.639 1.771 0.335) 4.061 3.148 ( -3.842 -0.169 -3.603) 5.270 3.177 ( -5.679 -0.514 -4.077) 7.010 3.276 ( -0.680 6.341 -3.175) 7.124 3.329 ( 0.329 0.329 3.033) 3.069 3.413 ( 3.213 0.260 1.714) 3.651 3.458 ( -0.119 -2.666 5.700) 6.294 3.485 ( 6.040 -0.659 3.854) 7.195 3.515 ( 6.149 -0.641 8.220) 10.286 3.533 ( 1.776 2.110 -1.233) 3.021 3.641 ( 0.289 -6.523 -1.996) 6.827 3.778 ( -2.332 5.011 1.875) 5.837 3.852 ( -2.385 -2.532 1.082) 3.643 3.910 ( -2.963 1.110 4.149) 5.218 3.964 ( -2.844 -2.675 0.749) 3.975 4.026 ( 1.326 2.633 -0.336) 2.967 4.069 ( -0.409 -1.848 -0.649) 2.001 4.134 ( -0.343 4.217 -1.165) 4.388 4.170 ( -0.920 2.799 -6.291) 6.947 4.276 ( -2.829 -1.991 -1.698) 3.854 4.327 ( 1.093 -4.179 -3.083) 5.307 4.535 ( -0.488 0.056 -1.709) 1.779 4.549 ( -0.508 -0.601 -1.991) 2.141 4.633 ( -1.032 -0.332 -3.848) 3.998 4.672 ( -0.424 -3.199 -6.211) 6.999 4.817 ( -1.171 3.152 -4.331) 5.484 4.890 ( -1.716 -3.204 -4.676) 5.923 4.935 ( 2.976 1.244 2.086) 3.841 4.962 ( -0.817 -1.234 -1.072) 1.827 4.979 ( -2.351 1.758 -0.483) 2.975 4.993 ( 0.055 -0.048 -0.642) 0.646 5.025 ( 1.849 0.220 1.494) 2.388 5.053 ( 0.166 -1.884 -2.209) 2.908 5.186 ( 2.132 3.053 1.182) 3.907 5.202 ( 2.522 6.015 1.718) 6.745 5.221 ( 0.976 -0.329 -2.375) 2.589 5.277 ( 1.295 3.061 -1.065) 3.490 5.287 ( 0.899 -0.235 0.118) 0.937 5.327 ( -4.243 -1.603 -1.932) 4.930 5.367 ( -1.810 0.105 2.647) 3.208 5.449 ( 0.993 -3.505 5.558) 6.646 5.452 ( -0.064 2.057 0.114) 2.061 5.515 ( -0.051 -2.822 0.886) 2.958 5.596 ( 2.251 3.175 0.003) 3.892 5.658 ( 3.167 -3.423 1.620) 4.937 5.723 ( 3.703 0.526 2.754) 4.645 5.753 ( 2.437 -2.407 -0.075) 3.427 5.821 ( 0.652 0.711 0.971) 1.369 5.838 ( 0.832 -1.057 -0.528) 1.445 5.870 ( 0.824 1.659 -0.181) 1.861 5.895 ( -0.341 -0.694 0.646) 1.008 5.916 ( 1.087 1.795 2.983) 3.647 5.944 ( -0.607 -1.179 -0.725) 1.511 5.991 ( -0.182 0.441 -0.667) 0.820 6.003 ( -0.240 -0.282 -1.566) 1.610 6.034 ( -1.095 0.454 -0.035) 1.186 6.058 ( -3.314 -1.230 -1.205) 3.735 6.137 ( 2.169 3.290 0.213) 3.947 6.174 ( 0.765 -0.152 0.609) 0.990 6.274 ( 3.539 -0.376 1.809) 3.992 6.290 ( 2.601 -1.590 2.068) 3.684 6.784 ( -0.963 1.280 0.736) 1.762 6.813 ( -0.255 -1.589 1.185) 1.998 6.870 ( -0.011 1.367 1.206) 1.823 6.893 ( 0.284 -0.936 0.901) 1.330 7.078 ( -3.834 0.200 4.672) 6.047 7.085 ( -3.293 -0.472 5.362) 6.310 7.260 ( -1.395 0.452 -0.198) 1.480 7.268 ( -1.637 -0.375 -0.189) 1.690 7.354 ( 0.538 0.877 3.504) 3.652 7.370 ( 0.146 -0.707 4.109) 4.172 7.650 ( 3.089 0.758 -2.593) 4.103 7.667 ( 2.787 -0.859 -3.198) 4.328 7.874 ( 1.093 2.059 -4.102) 4.718 7.917 ( 1.673 -2.148 -5.147) 5.823 8.076 ( -2.291 1.458 -2.225) 3.511 8.105 ( -2.015 -1.327 -3.593) 4.328 8.300 ( -1.343 0.898 2.412) 2.903 8.322 ( -1.670 -1.309 2.586) 3.345 8.439 ( 0.319 0.578 -0.566) 0.869 8.448 ( -0.015 -0.359 -0.829) 0.903 ======================= Grid point 52 (33/50) ======================= q-point: (-0.57 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -4.622 -1.743 -4.956) 6.997 1.567 ( -2.751 -5.759 -2.738) 6.945 1.697 ( 10.993 0.762 -3.768) 11.646 1.711 ( 12.010 -1.115 -2.775) 12.377 1.822 ( 5.289 1.079 2.695) 6.033 1.851 ( 5.697 -0.377 -0.694) 5.751 1.874 ( -0.082 3.594 -4.426) 5.702 1.927 ( 5.144 -1.689 -1.390) 5.589 1.938 ( 2.160 1.510 -7.612) 8.055 2.033 ( -0.584 8.038 -4.396) 9.180 2.055 ( -0.145 -4.919 -1.210) 5.068 2.188 ( 2.211 -6.591 -6.749) 9.689 2.254 ( 3.396 5.987 3.494) 7.720 2.330 ( -2.080 1.028 -3.443) 4.152 2.347 ( -2.549 6.850 -9.886) 12.295 2.407 ( -1.420 5.736 -2.463) 6.402 2.453 ( -0.239 -0.932 -3.617) 3.743 2.466 ( 0.165 0.338 0.491) 0.618 2.618 ( 0.918 1.633 1.564) 2.440 2.655 ( 1.882 -3.981 4.460) 6.267 2.684 ( 2.458 -0.724 0.131) 2.565 2.754 ( -4.993 -3.259 -5.711) 8.257 2.803 ( 0.575 -0.199 -2.463) 2.537 2.835 ( -2.460 -2.237 -4.802) 5.841 2.848 ( -0.666 1.903 -2.126) 2.930 2.947 ( 1.265 -6.939 1.976) 7.325 2.969 ( -4.758 2.209 -0.672) 5.289 3.010 ( -3.018 -1.202 -3.548) 4.810 3.081 ( -2.064 1.771 2.566) 3.739 3.170 ( 2.895 -4.368 4.951) 7.209 3.260 ( -3.004 0.896 -3.375) 4.607 3.313 ( -3.835 -1.626 -1.317) 4.368 3.358 ( -3.492 -4.428 -7.693) 9.539 3.374 ( 0.205 -2.828 -3.053) 4.166 3.538 ( -5.401 4.176 -1.038) 6.906 3.571 ( -5.985 0.726 3.927) 7.195 3.606 ( -4.076 2.246 3.502) 5.825 3.659 ( -8.221 -2.805 -1.078) 8.753 3.687 ( -2.720 4.920 4.722) 7.342 3.750 ( -3.004 -1.424 5.554) 6.473 3.831 ( -8.159 0.506 9.554) 12.574 3.849 ( -7.172 -0.188 6.513) 9.690 3.981 ( -8.718 2.460 4.235) 10.000 4.003 ( -7.002 0.531 5.232) 8.757 4.165 ( 1.253 1.901 1.410) 2.678 4.177 ( -2.286 1.077 -1.244) 2.816 4.208 ( 4.833 0.499 0.122) 4.860 4.282 ( -0.660 -4.418 -3.405) 5.617 4.437 ( -5.984 5.277 -8.780) 11.864 4.537 ( 0.318 -2.059 -6.080) 6.427 4.596 ( 1.597 0.016 -4.264) 4.553 4.615 ( -3.043 -1.015 -5.305) 6.199 4.762 ( -2.270 1.126 -7.071) 7.511 4.799 ( -0.265 -2.153 -5.515) 5.926 4.851 ( -5.949 2.634 -4.957) 8.179 4.913 ( -3.430 2.104 -3.235) 5.163 4.943 ( 0.247 -3.378 0.678) 3.454 5.005 ( 1.170 -3.733 0.526) 3.947 5.070 ( 4.828 1.702 -5.820) 7.751 5.115 ( 3.953 -2.440 -9.539) 10.610 5.184 ( 3.634 0.382 -0.763) 3.732 5.215 ( 2.235 -1.789 -1.729) 3.344 5.243 ( 1.016 0.313 0.541) 1.193 5.260 ( 2.662 -1.386 0.354) 3.022 5.353 ( 2.817 3.254 7.552) 8.692 5.394 ( 2.810 -0.197 5.987) 6.616 5.467 ( 4.155 2.100 5.585) 7.271 5.495 ( 3.473 -0.990 1.075) 3.768 5.544 ( 1.339 0.680 2.958) 3.317 5.552 ( 2.090 0.702 6.507) 6.870 5.643 ( 2.425 3.686 0.606) 4.453 5.701 ( 0.994 -1.677 -0.907) 2.150 5.753 ( -3.970 2.417 -1.392) 4.851 5.798 ( -0.655 0.949 1.803) 2.140 5.819 ( -0.833 -1.621 -1.130) 2.145 5.834 ( -0.112 -1.731 0.795) 1.908 5.838 ( -2.919 -0.658 -0.154) 2.996 5.865 ( -1.480 -1.070 -0.175) 1.835 5.945 ( 0.311 1.463 -0.237) 1.514 5.952 ( -0.951 0.321 -1.502) 1.806 5.960 ( 0.967 0.276 0.750) 1.255 5.990 ( 2.290 -1.936 1.947) 3.575 6.036 ( 3.576 -0.312 -1.143) 3.768 6.058 ( 2.341 -2.185 -2.576) 4.110 6.246 ( 4.618 2.897 4.149) 6.851 6.258 ( 4.039 1.412 4.538) 6.237 6.336 ( 0.962 0.035 1.460) 1.749 6.366 ( 3.141 -2.335 2.655) 4.729 6.783 ( -0.015 1.759 2.190) 2.809 6.821 ( -0.175 -2.016 2.403) 3.141 6.878 ( -0.570 1.387 1.721) 2.283 6.905 ( -0.388 -1.312 1.308) 1.893 7.067 ( -1.176 1.146 5.195) 5.448 7.093 ( -0.751 -1.377 6.111) 6.309 7.245 ( 0.659 1.346 0.326) 1.534 7.269 ( 1.893 -0.915 0.703) 2.217 7.408 ( 1.071 0.296 5.253) 5.369 7.414 ( 0.226 -0.334 5.434) 5.449 7.687 ( 2.362 0.232 -2.090) 3.162 7.692 ( 2.031 -0.233 -2.365) 3.126 7.843 ( -0.386 1.846 -5.289) 5.615 7.886 ( -0.164 -2.405 -6.710) 7.130 7.999 ( -2.401 1.481 -4.936) 5.685 8.024 ( -2.199 -1.013 -5.567) 6.071 8.304 ( -0.452 0.860 2.789) 2.954 8.323 ( -0.569 -0.995 2.936) 3.151 8.446 ( 0.783 0.180 -0.491) 0.942 8.449 ( 0.657 -0.047 -0.775) 1.017 ======================= Grid point 53 (34/50) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -12.978 5.991 1.537) 14.377 1.509 ( -4.297 -14.378 6.148) 16.217 1.588 ( -13.588 17.268 -9.341) 23.876 1.788 ( 3.152 -1.381 -11.721) 12.216 1.873 ( 7.100 -3.319 -7.940) 11.157 1.962 ( -5.470 -12.040 -2.962) 13.552 1.979 ( 4.081 3.568 -4.021) 6.749 2.014 ( 9.346 -0.510 -0.502) 9.373 2.035 ( 7.596 2.037 -4.268) 8.948 2.086 ( 8.981 1.857 -3.869) 9.953 2.136 ( 11.804 6.121 -0.578) 13.309 2.193 ( 4.634 1.260 -7.680) 9.058 2.276 ( 0.805 4.271 0.051) 4.346 2.293 ( 7.536 -4.930 -7.314) 11.601 2.333 ( 6.669 -6.785 0.316) 9.519 2.401 ( 0.742 -7.982 -3.322) 8.677 2.461 ( 2.319 5.758 -2.834) 6.824 2.527 ( 6.949 1.739 -5.082) 8.783 2.594 ( 2.021 -0.268 -4.211) 4.678 2.643 ( -5.703 0.494 -3.562) 6.742 2.657 ( 2.401 4.124 -1.011) 4.878 2.744 ( -3.484 -2.440 4.618) 6.279 2.778 ( 2.026 3.215 -2.131) 4.357 2.831 ( -0.953 1.262 0.306) 1.610 2.853 ( -5.084 0.463 0.156) 5.107 2.874 ( 0.833 -3.093 3.807) 4.975 2.980 ( 0.408 5.980 -4.987) 7.798 3.033 ( 3.406 1.527 4.687) 5.991 3.105 ( -0.207 1.338 5.803) 5.959 3.121 ( -4.944 -7.766 -8.987) 12.865 3.199 ( -7.662 2.243 -2.856) 8.479 3.236 ( -0.373 1.597 -1.524) 2.239 3.276 ( 2.472 -6.989 7.313) 10.413 3.341 ( -5.718 -7.271 -0.755) 9.281 3.397 ( -15.025 -1.936 2.177) 15.305 3.400 ( -9.591 0.133 4.208) 10.474 3.482 ( -2.233 -0.219 4.608) 5.126 3.498 ( 0.733 -0.637 3.124) 3.271 3.682 ( -3.773 5.530 4.725) 8.194 3.706 ( -3.797 4.537 1.903) 6.214 3.768 ( -6.222 3.012 5.159) 8.626 3.786 ( -11.624 0.419 8.952) 14.678 3.853 ( -10.288 -0.750 5.102) 11.508 3.864 ( -5.078 -0.424 6.351) 8.142 4.132 ( -1.719 0.973 -1.185) 2.303 4.188 ( 1.342 -3.858 1.616) 4.393 4.229 ( -1.358 4.151 -0.635) 4.413 4.280 ( -0.499 -2.078 -3.013) 3.694 4.375 ( 2.123 2.600 0.728) 3.434 4.458 ( -2.949 -4.597 -3.781) 6.642 4.500 ( -0.058 3.731 -5.776) 6.877 4.577 ( 0.388 -4.236 -4.792) 6.407 4.601 ( -7.563 -0.011 -6.493) 9.968 4.633 ( -7.766 -2.513 -5.960) 10.107 4.757 ( -1.417 6.197 -5.982) 8.729 4.843 ( -0.697 -0.826 -5.981) 6.078 4.990 ( 4.467 3.539 -1.115) 5.807 5.078 ( 3.059 -0.026 0.277) 3.072 5.119 ( 4.011 -3.141 -3.409) 6.130 5.174 ( 6.661 -4.487 1.370) 8.148 5.248 ( 2.690 1.030 -1.005) 3.051 5.286 ( 4.528 -2.326 0.957) 5.180 5.332 ( 4.299 1.592 1.375) 4.786 5.365 ( 3.135 -1.278 3.167) 4.636 5.381 ( -1.412 1.966 2.077) 3.189 5.415 ( -3.308 -0.947 0.391) 3.463 5.525 ( -2.754 0.613 -1.291) 3.103 5.545 ( 0.926 -0.370 0.961) 1.385 5.599 ( 1.413 0.895 2.322) 2.862 5.614 ( -0.028 0.198 1.591) 1.604 5.665 ( 0.110 2.641 -1.556) 3.067 5.695 ( 2.152 2.178 0.391) 3.087 5.730 ( -2.580 -2.807 -3.201) 4.978 5.742 ( 1.062 -1.678 1.718) 2.626 5.761 ( -0.883 1.807 0.437) 2.058 5.805 ( -1.348 -1.752 1.152) 2.493 5.851 ( 1.686 1.112 0.864) 2.197 5.881 ( 0.786 -0.826 0.943) 1.480 5.939 ( 1.518 0.904 -0.265) 1.786 5.942 ( 1.274 0.676 -0.612) 1.567 6.024 ( 1.911 1.598 -1.596) 2.959 6.053 ( 1.071 -0.774 -2.941) 3.224 6.066 ( 2.801 1.498 -2.929) 4.320 6.121 ( 4.752 -3.188 -0.579) 5.752 6.328 ( 0.948 1.027 3.169) 3.463 6.338 ( -0.228 -0.184 2.059) 2.080 6.382 ( 2.409 1.814 3.611) 4.704 6.427 ( 1.446 -2.332 1.103) 2.957 6.827 ( 1.619 0.671 3.879) 4.257 6.846 ( 0.192 -1.123 3.397) 3.582 6.875 ( -0.066 1.479 1.166) 1.885 6.902 ( 0.364 -1.059 0.422) 1.197 7.106 ( 1.183 0.924 4.205) 4.465 7.134 ( 0.329 -2.017 4.749) 5.170 7.291 ( 2.238 3.564 1.915) 4.623 7.348 ( 4.248 -2.138 1.755) 5.069 7.450 ( -1.041 0.504 5.056) 5.187 7.464 ( 0.024 -0.757 5.280) 5.334 7.699 ( 0.567 1.154 -2.187) 2.537 7.721 ( 1.736 -0.990 -0.845) 2.170 7.792 ( -0.187 0.615 -3.945) 3.998 7.814 ( -1.268 -1.668 -6.539) 6.866 7.912 ( -1.793 1.906 -6.518) 7.023 7.941 ( -1.207 -1.127 -6.637) 6.840 8.319 ( -0.324 0.966 2.688) 2.874 8.340 ( -0.188 -1.076 2.922) 3.119 8.457 ( 0.809 0.202 -1.023) 1.319 8.459 ( 0.773 -0.065 -0.548) 0.949 ======================= Grid point 54 (35/50) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -9.828 16.002 9.539) 21.063 1.278 ( -11.991 19.871 8.090) 24.578 1.497 ( -5.345 -21.679 6.829) 23.350 1.692 ( -7.779 -19.869 3.684) 21.654 1.848 ( 4.329 3.026 -3.457) 6.312 1.944 ( 2.898 1.798 -3.556) 4.927 1.972 ( 1.500 1.429 -2.601) 3.326 2.106 ( -1.704 -1.995 5.968) 6.519 2.178 ( 3.499 5.443 4.770) 8.039 2.208 ( 2.260 0.586 -4.689) 5.239 2.269 ( 0.942 -2.502 -4.801) 5.495 2.279 ( 4.702 -2.036 1.255) 5.276 2.325 ( 4.379 0.863 1.780) 4.805 2.395 ( -7.604 9.556 1.988) 12.373 2.436 ( 5.970 1.639 -6.818) 9.210 2.454 ( -0.221 -4.418 1.266) 4.601 2.475 ( 5.152 -5.250 4.385) 8.563 2.524 ( 5.064 -0.303 -4.772) 6.964 2.628 ( 7.710 1.719 -4.425) 9.054 2.706 ( 5.878 -1.819 -5.371) 8.167 2.728 ( -1.406 1.140 0.543) 1.889 2.737 ( 4.136 0.270 -2.725) 4.960 2.772 ( -0.726 -0.939 -2.872) 3.108 2.818 ( 11.013 -4.244 -4.747) 12.721 2.857 ( 1.237 0.024 -4.145) 4.326 2.871 ( 7.122 -0.805 -2.432) 7.568 2.913 ( -0.581 3.189 -6.172) 6.971 2.981 ( -1.931 -1.911 -1.734) 3.223 3.069 ( -2.624 1.290 -1.938) 3.508 3.086 ( -5.293 2.254 1.892) 6.056 3.128 ( -3.955 1.123 8.644) 9.572 3.176 ( -2.714 3.629 -4.378) 6.301 3.220 ( 1.973 -3.771 8.218) 9.254 3.301 ( 2.909 -1.913 3.758) 5.123 3.344 ( -3.050 1.822 2.088) 4.121 3.408 ( -3.256 -0.363 8.903) 9.487 3.480 ( -5.176 2.618 3.567) 6.810 3.501 ( -3.296 -0.949 4.328) 5.522 3.551 ( -9.698 4.112 0.487) 10.545 3.595 ( -4.034 -2.199 -2.226) 5.105 3.685 ( -6.021 2.299 0.321) 6.453 3.702 ( -0.540 4.620 0.680) 4.701 3.770 ( 1.323 -2.106 1.705) 3.015 3.778 ( -5.416 -3.473 2.182) 6.793 4.129 ( 2.477 1.370 -0.710) 2.918 4.217 ( 2.641 -6.408 3.338) 7.693 4.272 ( 0.314 1.004 2.392) 2.613 4.295 ( 0.535 -1.239 6.212) 6.357 4.331 ( -2.345 4.344 -1.624) 5.197 4.417 ( -1.006 0.476 -0.940) 1.457 4.436 ( -1.802 -3.951 -0.071) 4.343 4.490 ( -0.350 -4.321 -1.207) 4.500 4.537 ( 0.453 1.612 -2.733) 3.205 4.575 ( 0.819 -0.613 -0.866) 1.341 4.707 ( 0.984 4.161 -1.599) 4.565 4.788 ( -0.438 -2.566 -1.782) 3.155 5.040 ( 1.881 4.041 -4.298) 6.192 5.108 ( -1.236 2.463 -2.951) 4.038 5.167 ( 1.826 -2.285 -2.418) 3.795 5.220 ( -2.588 -1.068 0.211) 2.808 5.292 ( -3.372 1.388 4.085) 5.476 5.315 ( 1.052 -0.791 -1.628) 2.093 5.325 ( -3.320 -0.908 2.696) 4.373 5.352 ( -3.862 -0.725 1.620) 4.250 5.395 ( -0.145 2.512 1.396) 2.877 5.443 ( 1.983 -2.128 1.731) 3.385 5.490 ( 2.744 -0.358 -0.357) 2.790 5.526 ( -0.673 -3.716 -2.612) 4.592 5.610 ( -0.213 1.989 -0.665) 2.108 5.637 ( 1.180 -0.035 1.743) 2.105 5.660 ( 1.839 0.199 -2.414) 3.041 5.687 ( -0.117 -1.935 -1.802) 2.647 5.724 ( -0.690 2.341 0.941) 2.615 5.776 ( 0.144 -1.676 0.582) 1.780 5.791 ( 1.781 0.248 -0.303) 1.824 5.808 ( 3.115 -1.181 -1.121) 3.514 5.905 ( 3.268 1.575 -1.318) 3.860 5.922 ( 2.138 0.512 -1.446) 2.632 5.954 ( 1.273 -0.094 -1.574) 2.027 5.961 ( 0.668 -0.683 -1.247) 1.571 6.014 ( 0.262 1.753 -3.555) 3.972 6.035 ( 0.869 1.258 -3.269) 3.609 6.091 ( 1.448 4.144 -3.537) 5.637 6.173 ( 1.751 -2.715 -3.177) 4.531 6.323 ( -2.463 0.454 0.873) 2.653 6.335 ( -2.051 -0.380 1.564) 2.607 6.424 ( -0.099 -0.032 0.566) 0.576 6.437 ( -0.491 -1.242 -1.276) 1.848 6.839 ( -0.886 0.253 1.013) 1.369 6.849 ( -1.853 -0.677 2.491) 3.177 6.954 ( 2.821 0.925 2.097) 3.635 6.974 ( 5.234 -1.046 3.184) 6.215 7.170 ( 2.204 -0.075 2.352) 3.224 7.178 ( 2.212 -0.999 2.676) 3.613 7.322 ( -0.474 5.037 -0.498) 5.084 7.405 ( -0.173 -3.286 -1.110) 3.472 7.454 ( -1.025 1.243 2.635) 3.089 7.483 ( -1.354 -1.503 3.084) 3.689 7.666 ( -1.698 0.941 -2.494) 3.160 7.687 ( -2.640 -1.205 -5.313) 6.053 7.818 ( 2.486 0.514 -0.029) 2.539 7.821 ( 4.150 -0.036 2.343) 4.766 7.840 ( 0.807 1.648 -2.810) 3.356 7.876 ( -0.107 -1.625 -5.820) 6.044 8.331 ( -0.459 1.104 2.385) 2.668 8.355 ( -0.434 -1.329 2.500) 2.864 8.460 ( 0.503 0.452 -1.351) 1.511 8.467 ( 0.578 -0.208 -0.868) 1.064 ======================= Grid point 55 (36/50) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -7.372 9.886 16.694) 20.755 1.328 ( -8.116 -15.243 7.213) 18.715 1.356 ( -1.706 14.066 21.518) 25.764 1.693 ( -9.004 -14.951 19.571) 26.222 1.905 ( -7.166 9.203 12.333) 16.975 1.945 ( -4.274 2.118 8.168) 9.459 2.008 ( -0.086 2.420 3.341) 4.126 2.110 ( 1.088 5.817 2.460) 6.409 2.115 ( -4.835 6.221 6.920) 10.486 2.204 ( -1.225 -4.568 2.308) 5.263 2.234 ( -3.597 -3.435 2.114) 5.404 2.288 ( -2.529 3.304 3.080) 5.176 2.324 ( -2.561 -7.753 -2.204) 8.457 2.354 ( 2.142 -4.100 5.746) 7.376 2.482 ( 3.165 1.097 -2.071) 3.938 2.510 ( 0.083 1.269 -1.623) 2.062 2.563 ( 5.943 0.614 -3.267) 6.810 2.617 ( 0.762 -2.526 0.280) 2.653 2.635 ( -3.443 1.440 2.327) 4.398 2.677 ( -0.051 -1.891 2.726) 3.318 2.722 ( -2.264 -5.681 -3.523) 7.057 2.727 ( 1.268 -5.005 2.339) 5.669 2.844 ( -0.144 1.828 -2.574) 3.160 2.878 ( -0.574 -1.687 -4.469) 4.812 2.949 ( 6.917 3.760 -2.083) 8.144 2.982 ( 5.811 -1.011 0.414) 5.913 2.997 ( 10.930 0.623 -9.580) 14.547 3.039 ( 12.272 -1.798 -8.082) 14.804 3.084 ( 1.761 1.353 -4.380) 4.911 3.093 ( 3.137 -0.830 -0.217) 3.253 3.175 ( 4.844 0.109 -7.936) 9.298 3.200 ( -5.405 -1.756 5.812) 8.129 3.255 ( 2.196 3.988 3.427) 5.699 3.271 ( -0.697 1.247 -0.228) 1.447 3.330 ( 1.263 7.567 -2.957) 8.222 3.357 ( 1.271 2.557 4.981) 5.742 3.422 ( 0.335 -0.584 1.585) 1.723 3.447 ( -4.413 -1.313 -5.352) 7.060 3.495 ( 3.346 -1.285 4.034) 5.397 3.563 ( 4.408 -2.498 4.777) 6.963 3.626 ( 0.834 4.947 -1.230) 5.166 3.697 ( 0.930 1.176 -3.520) 3.826 3.768 ( 3.488 -2.287 -1.406) 4.401 3.812 ( 0.682 -4.193 -1.223) 4.420 4.188 ( 2.101 3.103 -2.915) 4.748 4.212 ( -1.777 3.201 0.698) 3.727 4.282 ( -1.822 -0.330 0.249) 1.869 4.332 ( 2.610 -5.050 4.486) 7.241 4.408 ( 3.936 3.904 2.142) 5.943 4.436 ( 2.834 -0.190 8.001) 8.490 4.496 ( 2.510 -2.901 5.850) 6.995 4.533 ( 4.238 -4.433 5.147) 8.006 4.580 ( 3.840 2.726 4.729) 6.674 4.629 ( 4.280 -0.422 3.337) 5.444 4.750 ( 1.879 1.274 3.268) 3.979 4.811 ( 1.427 -2.645 3.912) 4.934 4.975 ( -6.092 4.845 -3.836) 8.678 5.047 ( 1.207 2.987 -4.894) 5.860 5.106 ( -5.641 -6.579 -4.246) 9.650 5.132 ( -2.565 -4.235 -1.198) 5.094 5.239 ( -6.247 0.169 4.477) 7.687 5.252 ( -6.353 -0.650 3.567) 7.314 5.291 ( 0.537 3.711 0.393) 3.771 5.337 ( -0.119 -0.157 -4.086) 4.091 5.375 ( -2.499 2.050 1.631) 3.620 5.435 ( -1.725 -3.552 0.613) 3.996 5.534 ( 1.474 1.918 -1.810) 3.021 5.558 ( 2.818 0.011 -0.830) 2.938 5.616 ( 1.603 2.658 -1.933) 3.657 5.648 ( -1.263 1.548 -1.706) 2.627 5.660 ( -0.882 -0.050 -2.416) 2.572 5.667 ( 0.289 -1.446 -2.535) 2.933 5.723 ( 0.004 -0.764 -0.122) 0.773 5.744 ( -0.233 -3.083 -0.641) 3.158 5.837 ( 0.869 1.877 -2.284) 3.081 5.853 ( 1.904 -0.071 -1.733) 2.575 5.884 ( -2.925 3.067 -3.731) 5.646 5.922 ( 0.084 -1.296 -1.438) 1.937 5.979 ( 3.035 -0.997 -2.627) 4.136 5.988 ( 1.633 -1.463 -3.951) 4.518 6.007 ( 0.445 1.942 -1.542) 2.520 6.037 ( 1.726 -0.919 -0.186) 1.964 6.086 ( 1.427 4.818 -2.911) 5.807 6.151 ( -0.477 -1.767 -4.137) 4.524 6.247 ( -4.822 0.747 -1.559) 5.122 6.277 ( -3.917 -1.987 -0.555) 4.427 6.386 ( -2.833 0.081 -2.842) 4.014 6.392 ( -2.434 -0.292 -1.930) 3.120 6.823 ( -1.907 0.471 1.328) 2.372 6.832 ( -0.750 -0.322 0.829) 1.163 6.987 ( -0.422 0.284 -1.073) 1.188 7.004 ( -2.068 -1.473 -2.650) 3.670 7.241 ( 1.404 0.745 1.318) 2.064 7.255 ( 1.968 -0.480 1.257) 2.384 7.283 ( -1.278 3.827 -0.153) 4.037 7.354 ( -2.467 -2.823 -1.291) 3.965 7.439 ( -1.882 0.625 0.390) 2.022 7.460 ( -2.234 -1.220 0.336) 2.567 7.597 ( -1.902 0.780 -3.558) 4.109 7.611 ( -1.485 -0.539 -2.141) 2.661 7.804 ( 1.397 1.992 -2.741) 3.665 7.843 ( 1.796 -1.846 -4.079) 4.824 7.967 ( 5.615 0.785 4.893) 7.489 7.986 ( 7.456 -1.048 4.625) 8.836 8.339 ( -0.555 0.837 2.164) 2.386 8.361 ( -0.780 -1.397 2.172) 2.698 8.457 ( 0.306 0.868 -1.430) 1.700 8.470 ( 0.444 -0.442 -0.934) 1.125 ======================= Grid point 63 (37/50) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -3.180 0.000 9.790) 10.293 1.685 ( -4.327 0.000 7.722) 8.852 1.787 ( -7.882 0.000 17.559) 19.247 1.801 ( 6.251 0.000 18.037) 19.089 1.883 ( 0.191 0.000 -2.097) 2.106 1.906 ( -6.588 0.000 -6.002) 8.912 2.060 ( 1.364 0.000 -1.027) 1.707 2.118 ( -10.523 0.000 11.675) 15.717 2.170 ( 3.115 0.000 1.629) 3.515 2.247 ( 2.223 0.000 -2.688) 3.488 2.318 ( -6.920 0.000 -4.453) 8.229 2.326 ( -8.144 0.000 0.718) 8.176 2.328 ( 1.541 0.000 -0.352) 1.580 2.393 ( -0.984 0.000 5.621) 5.706 2.393 ( -0.443 0.000 3.201) 3.232 2.488 ( 1.253 0.000 -5.726) 5.862 2.544 ( -4.543 0.000 -2.360) 5.120 2.576 ( 5.602 0.000 -11.109) 12.442 2.760 ( -1.934 0.000 3.300) 3.825 2.808 ( -10.430 0.000 0.441) 10.439 2.824 ( -0.539 0.000 -1.091) 1.217 2.828 ( 0.910 0.000 3.262) 3.386 2.834 ( 1.311 0.000 8.781) 8.878 2.937 ( 4.196 0.000 -1.936) 4.621 2.953 ( 3.086 0.000 1.385) 3.382 2.989 ( -5.083 0.000 5.276) 7.327 3.002 ( 11.134 0.000 7.381) 13.358 3.092 ( 3.847 0.000 0.573) 3.889 3.095 ( -2.961 0.000 -3.464) 4.557 3.116 ( -3.159 0.000 -6.516) 7.241 3.187 ( -7.508 0.000 -2.051) 7.783 3.221 ( 5.945 0.000 -0.617) 5.977 3.248 ( 10.302 0.000 -5.987) 11.915 3.276 ( 9.206 0.000 0.799) 9.241 3.337 ( 0.094 0.000 4.003) 4.004 3.337 ( 13.829 0.000 -6.480) 15.272 3.451 ( -1.766 0.000 -6.906) 7.128 3.455 ( -1.421 0.000 -2.086) 2.524 3.479 ( -1.225 0.000 -0.642) 1.383 3.560 ( 2.002 0.000 -6.392) 6.698 3.730 ( 1.307 0.000 11.752) 11.825 3.854 ( 7.933 0.000 5.418) 9.607 3.944 ( 0.901 0.000 0.457) 1.010 3.958 ( 4.773 0.000 -1.869) 5.126 4.131 ( 1.973 0.000 3.453) 3.977 4.195 ( -2.651 0.000 2.448) 3.608 4.233 ( -2.739 0.000 -2.082) 3.440 4.305 ( 4.669 0.000 -7.063) 8.467 4.619 ( 9.407 0.000 3.811) 10.149 4.625 ( 0.774 0.000 2.858) 2.961 4.708 ( 2.962 0.000 6.504) 7.146 4.708 ( -6.678 0.000 2.304) 7.064 4.839 ( -4.069 0.000 -0.374) 4.087 4.852 ( 2.867 0.000 3.550) 4.563 4.855 ( -0.894 0.000 1.619) 1.850 4.883 ( 3.769 0.000 -8.307) 9.122 4.963 ( -2.084 0.000 -1.037) 2.328 4.975 ( -0.282 0.000 1.257) 1.288 5.011 ( -3.388 0.000 -3.437) 4.826 5.053 ( 3.455 0.000 -0.460) 3.486 5.121 ( 2.165 0.000 -0.620) 2.252 5.127 ( -5.956 0.000 -2.778) 6.572 5.224 ( -1.204 0.000 -0.009) 1.204 5.240 ( 2.784 0.000 0.156) 2.788 5.419 ( -3.886 0.000 2.420) 4.578 5.450 ( -0.070 0.000 1.403) 1.405 5.501 ( 3.656 0.000 3.971) 5.398 5.520 ( -2.497 0.000 -0.307) 2.516 5.537 ( -3.478 0.000 0.160) 3.481 5.558 ( -2.520 0.000 -0.149) 2.524 5.568 ( 3.112 0.000 -3.467) 4.659 5.613 ( -0.423 0.000 -3.828) 3.851 5.709 ( -1.070 0.000 1.191) 1.601 5.746 ( -4.320 0.000 -1.014) 4.438 5.751 ( 3.294 0.000 1.612) 3.667 5.773 ( 0.245 0.000 0.573) 0.623 5.818 ( -2.078 0.000 -4.598) 5.046 5.819 ( 0.766 0.000 -2.267) 2.393 5.891 ( 0.496 0.000 -1.243) 1.338 5.918 ( -2.833 0.000 -3.266) 4.324 5.945 ( 0.421 0.000 2.322) 2.360 6.021 ( -1.018 0.000 -4.055) 4.181 6.087 ( 1.121 0.000 0.065) 1.123 6.104 ( -0.544 0.000 -1.020) 1.156 6.170 ( 3.864 0.000 0.871) 3.961 6.206 ( -4.743 0.000 -1.835) 5.085 6.236 ( 0.510 0.000 0.797) 0.946 6.271 ( -1.927 0.000 -2.085) 2.839 6.812 ( -0.675 0.000 0.858) 1.092 6.828 ( 0.043 0.000 -0.566) 0.568 6.872 ( -1.441 0.000 -0.205) 1.455 6.897 ( -0.765 0.000 -2.205) 2.334 7.249 ( -2.535 0.000 1.790) 3.103 7.267 ( -2.891 0.000 0.907) 3.030 7.269 ( 1.191 0.000 0.015) 1.191 7.296 ( 0.579 0.000 -2.020) 2.102 7.431 ( -3.330 0.000 2.841) 4.377 7.452 ( -2.688 0.000 3.493) 4.407 7.497 ( 2.988 0.000 -3.437) 4.554 7.540 ( 2.468 0.000 -4.212) 4.882 7.803 ( 0.617 0.000 0.395) 0.733 7.826 ( 1.866 0.000 -1.877) 2.646 8.117 ( 0.636 0.000 1.389) 1.527 8.134 ( 1.157 0.000 -0.395) 1.223 8.367 ( -1.454 0.000 1.649) 2.199 8.400 ( 0.859 0.000 -1.560) 1.781 8.432 ( -0.644 0.000 1.696) 1.814 8.460 ( 0.346 0.000 -0.988) 1.046 ======================= Grid point 64 (38/50) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -6.337 0.000 10.651) 12.393 1.698 ( -10.676 0.000 16.347) 19.524 1.705 ( -3.399 0.000 4.160) 5.372 1.786 ( -2.139 0.000 10.508) 10.723 1.820 ( -0.706 0.000 -1.322) 1.498 1.977 ( -5.997 0.000 -7.536) 9.630 2.007 ( -6.261 0.000 2.579) 6.772 2.066 ( -11.540 0.000 5.059) 12.600 2.066 ( -9.508 0.000 5.251) 10.862 2.146 ( 3.569 0.000 6.023) 7.001 2.223 ( -2.610 0.000 -11.188) 11.488 2.232 ( -3.993 0.000 -0.862) 4.085 2.310 ( -11.420 0.000 -0.293) 11.423 2.333 ( -5.651 0.000 5.991) 8.235 2.401 ( 0.378 0.000 6.273) 6.284 2.418 ( -1.127 0.000 2.620) 2.852 2.504 ( -2.808 0.000 3.441) 4.441 2.592 ( -6.293 0.000 0.159) 6.295 2.664 ( 5.030 0.000 -0.340) 5.042 2.724 ( -14.451 0.000 2.422) 14.653 2.734 ( -1.070 0.000 -5.475) 5.579 2.801 ( 1.781 0.000 -4.541) 4.878 2.835 ( -6.109 0.000 -0.558) 6.135 2.863 ( 1.673 0.000 1.037) 1.968 2.908 ( -6.541 0.000 0.306) 6.548 2.980 ( 0.042 0.000 -6.152) 6.152 3.048 ( 2.374 0.000 -4.896) 5.441 3.106 ( 4.010 0.000 5.696) 6.966 3.114 ( 2.879 0.000 -5.912) 6.576 3.171 ( -2.893 0.000 -4.609) 5.442 3.211 ( 1.423 0.000 -0.225) 1.441 3.287 ( 2.236 0.000 -9.784) 10.036 3.390 ( 7.830 0.000 1.961) 8.072 3.391 ( 5.351 0.000 7.545) 9.250 3.431 ( 3.082 0.000 -4.341) 5.324 3.451 ( 7.505 0.000 -5.718) 9.435 3.484 ( 9.255 0.000 5.141) 10.587 3.523 ( 10.872 0.000 -5.757) 12.302 3.646 ( 9.845 0.000 -9.212) 13.482 3.681 ( 15.992 0.000 -3.334) 16.336 3.780 ( -0.923 0.000 0.049) 0.924 3.898 ( 1.919 0.000 -10.265) 10.443 3.905 ( -1.368 0.000 -7.155) 7.285 3.949 ( -4.044 0.000 -7.478) 8.501 4.120 ( -3.621 0.000 -3.490) 5.029 4.139 ( -0.671 0.000 6.259) 6.295 4.296 ( 5.499 0.000 3.336) 6.432 4.323 ( 0.797 0.000 -7.471) 7.514 4.547 ( -3.835 0.000 -7.276) 8.225 4.630 ( -5.043 0.000 -5.248) 7.279 4.663 ( -3.706 0.000 5.734) 6.828 4.741 ( -7.838 0.000 0.308) 7.844 4.796 ( 2.930 0.000 -0.976) 3.089 4.830 ( -5.090 0.000 -5.949) 7.830 4.889 ( 6.210 0.000 5.073) 8.019 4.925 ( 4.865 0.000 -2.101) 5.299 5.001 ( 3.384 0.000 5.767) 6.686 5.002 ( -2.899 0.000 -5.829) 6.510 5.028 ( 2.213 0.000 2.077) 3.035 5.054 ( 1.579 0.000 -2.557) 3.005 5.085 ( 4.330 0.000 3.873) 5.810 5.121 ( -6.710 0.000 -1.687) 6.919 5.221 ( 5.915 0.000 5.186) 7.866 5.237 ( -2.039 0.000 -0.504) 2.100 5.376 ( -10.397 0.000 1.575) 10.515 5.415 ( -0.960 0.000 4.094) 4.205 5.461 ( -2.290 0.000 0.347) 2.316 5.511 ( -5.120 0.000 0.112) 5.121 5.533 ( 3.050 0.000 -0.571) 3.103 5.534 ( -1.982 0.000 -1.940) 2.773 5.545 ( 0.165 0.000 6.006) 6.008 5.634 ( 4.293 0.000 -1.111) 4.434 5.693 ( 0.134 0.000 2.210) 2.214 5.763 ( 2.902 0.000 4.348) 5.227 5.764 ( 1.465 0.000 -4.404) 4.641 5.813 ( 1.743 0.000 0.336) 1.776 5.816 ( 1.241 0.000 -0.431) 1.314 5.866 ( 4.482 0.000 0.323) 4.494 5.892 ( 1.630 0.000 -0.022) 1.630 5.946 ( 3.263 0.000 3.228) 4.590 5.982 ( -0.712 0.000 -2.921) 3.006 5.988 ( 1.044 0.000 3.846) 3.985 6.068 ( -1.486 0.000 -1.576) 2.166 6.096 ( -3.189 0.000 -2.991) 4.372 6.101 ( -0.809 0.000 2.891) 3.002 6.212 ( -2.745 0.000 -0.689) 2.830 6.261 ( 1.834 0.000 3.049) 3.558 6.273 ( 3.599 0.000 1.971) 4.103 6.807 ( -0.784 0.000 1.291) 1.511 6.834 ( 0.853 0.000 0.245) 0.888 6.876 ( 0.379 0.000 2.459) 2.488 6.894 ( 1.263 0.000 0.656) 1.423 7.205 ( -3.544 0.000 2.632) 4.415 7.224 ( -2.751 0.000 3.946) 4.810 7.276 ( -0.842 0.000 -0.381) 0.924 7.298 ( -0.215 0.000 -0.099) 0.236 7.398 ( -1.815 0.000 3.598) 4.029 7.445 ( -0.868 0.000 4.651) 4.732 7.540 ( 3.661 0.000 -2.719) 4.560 7.562 ( 3.033 0.000 -4.340) 5.294 7.806 ( 0.016 0.000 -1.346) 1.346 7.837 ( 1.231 0.000 -3.672) 3.873 8.100 ( -2.590 0.000 -0.882) 2.736 8.115 ( -1.921 0.000 -2.370) 3.051 8.351 ( -1.470 0.000 2.193) 2.640 8.407 ( 0.805 0.000 -1.112) 1.373 8.416 ( -2.108 0.000 1.994) 2.902 8.448 ( -0.609 0.000 -1.075) 1.236 ======================= Grid point 65 (39/50) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -2.638 0.000 2.291) 3.495 1.637 ( -5.025 0.000 4.721) 6.895 1.684 ( -2.260 0.000 11.248) 11.472 1.726 ( -11.542 0.000 -4.157) 12.267 1.768 ( -4.480 0.000 -1.504) 4.726 1.837 ( -0.946 0.000 -8.439) 8.492 1.885 ( -5.049 0.000 2.499) 5.634 1.903 ( -5.228 0.000 0.761) 5.283 2.009 ( -5.343 0.000 9.119) 10.569 2.029 ( -10.152 0.000 -3.466) 10.728 2.132 ( 2.554 0.000 5.203) 5.796 2.140 ( -2.970 0.000 6.974) 7.580 2.204 ( -0.191 0.000 -4.770) 4.774 2.221 ( -5.514 0.000 -1.893) 5.830 2.308 ( -6.798 0.000 1.952) 7.073 2.432 ( -6.115 0.000 -0.893) 6.180 2.472 ( -6.131 0.000 1.513) 6.315 2.584 ( -6.573 0.000 4.305) 7.857 2.608 ( -2.201 0.000 -1.361) 2.588 2.624 ( 6.566 0.000 1.498) 6.734 2.705 ( 2.603 0.000 -0.436) 2.640 2.715 ( -3.762 0.000 -4.150) 5.601 2.806 ( 0.006 0.000 -0.357) 0.357 2.861 ( 2.392 0.000 -5.488) 5.987 2.911 ( 0.375 0.000 0.323) 0.495 2.915 ( -3.482 0.000 -4.045) 5.337 2.999 ( -4.944 0.000 -8.048) 9.445 3.017 ( -0.095 0.000 -1.059) 1.064 3.134 ( -2.883 0.000 -2.635) 3.905 3.169 ( 6.074 0.000 1.947) 6.379 3.278 ( 3.817 0.000 -5.789) 6.934 3.322 ( 4.359 0.000 9.114) 10.103 3.380 ( -7.169 0.000 -11.839) 13.841 3.425 ( -0.842 0.000 -5.336) 5.402 3.498 ( -1.008 0.000 -7.348) 7.417 3.574 ( 1.699 0.000 2.685) 3.177 3.635 ( 8.169 0.000 -2.415) 8.519 3.679 ( 8.222 0.000 3.658) 8.999 3.724 ( -6.654 0.000 -5.836) 8.851 3.731 ( -1.045 0.000 1.386) 1.736 3.841 ( 7.770 0.000 -7.115) 10.535 3.887 ( 10.664 0.000 -4.215) 11.467 3.922 ( 8.914 0.000 -9.966) 13.371 3.937 ( 8.121 0.000 -4.430) 9.251 4.101 ( 2.539 0.000 -0.992) 2.725 4.194 ( 1.432 0.000 5.983) 6.152 4.238 ( -3.395 0.000 -1.763) 3.826 4.359 ( -0.882 0.000 -1.147) 1.447 4.419 ( -2.394 0.000 -11.123) 11.378 4.507 ( -10.532 0.000 -4.119) 11.309 4.554 ( -0.922 0.000 0.642) 1.123 4.618 ( -3.696 0.000 3.146) 4.853 4.738 ( -0.519 0.000 -5.750) 5.774 4.798 ( -8.305 0.000 -9.908) 12.928 4.849 ( -1.063 0.000 -6.995) 7.075 4.904 ( 0.016 0.000 -3.072) 3.072 4.932 ( -1.831 0.000 -3.612) 4.050 4.972 ( -2.631 0.000 -1.798) 3.186 5.044 ( -1.641 0.000 3.407) 3.781 5.050 ( -1.920 0.000 2.663) 3.283 5.154 ( -4.002 0.000 -3.853) 5.555 5.224 ( 3.618 0.000 4.730) 5.955 5.260 ( 6.104 0.000 7.668) 9.801 5.324 ( -4.069 0.000 3.770) 5.547 5.349 ( 5.898 0.000 9.110) 10.852 5.392 ( -0.909 0.000 4.886) 4.970 5.430 ( 1.976 0.000 2.179) 2.942 5.468 ( 1.964 0.000 2.729) 3.362 5.539 ( 0.089 0.000 -1.649) 1.652 5.549 ( 1.901 0.000 1.763) 2.593 5.602 ( 0.318 0.000 4.979) 4.989 5.689 ( 1.219 0.000 -1.849) 2.215 5.768 ( 0.089 0.000 -2.189) 2.191 5.778 ( 4.562 0.000 0.570) 4.597 5.792 ( -0.918 0.000 -2.012) 2.212 5.837 ( 0.569 0.000 2.299) 2.369 5.869 ( 4.450 0.000 -0.568) 4.487 5.908 ( -0.045 0.000 -1.811) 1.812 5.933 ( -1.062 0.000 -2.961) 3.146 5.958 ( 2.692 0.000 2.562) 3.717 5.965 ( -4.858 0.000 -2.038) 5.268 6.009 ( -0.410 0.000 4.948) 4.965 6.015 ( -2.121 0.000 -1.816) 2.793 6.019 ( -1.311 0.000 -3.159) 3.420 6.201 ( 5.210 0.000 7.849) 9.420 6.222 ( 3.001 0.000 4.500) 5.409 6.333 ( 2.240 0.000 2.630) 3.454 6.359 ( 3.358 0.000 2.422) 4.140 6.804 ( -0.789 0.000 2.013) 2.162 6.866 ( 1.296 0.000 1.585) 2.048 6.903 ( -0.223 0.000 2.986) 2.995 6.939 ( 1.039 0.000 2.398) 2.614 7.162 ( -2.832 0.000 3.613) 4.590 7.225 ( -1.451 0.000 6.649) 6.806 7.240 ( -1.685 0.000 -1.053) 1.987 7.265 ( -1.317 0.000 -0.425) 1.384 7.441 ( 1.870 0.000 5.404) 5.718 7.489 ( 0.734 0.000 5.833) 5.879 7.587 ( 3.254 0.000 -3.946) 5.115 7.604 ( 3.972 0.000 -1.811) 4.366 7.784 ( -0.615 0.000 -2.289) 2.370 7.815 ( 0.161 0.000 -5.257) 5.260 8.006 ( -4.778 0.000 -3.622) 5.996 8.025 ( -4.027 0.000 -4.609) 6.121 8.347 ( -0.888 0.000 2.883) 3.017 8.396 ( -1.513 0.000 2.673) 3.072 8.412 ( 0.728 0.000 -1.541) 1.704 8.434 ( 0.113 0.000 -0.639) 0.649 ======================= Grid point 66 (40/50) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -10.171 0.000 -7.421) 12.591 1.479 ( -4.206 0.000 -9.494) 10.384 1.587 ( -5.176 0.000 -0.681) 5.221 1.664 ( 0.653 0.000 -7.231) 7.260 1.747 ( 2.392 0.000 -0.236) 2.404 1.777 ( -0.698 0.000 -3.220) 3.295 1.859 ( 5.381 0.000 4.320) 6.900 1.867 ( -1.548 0.000 2.634) 3.055 1.912 ( 1.834 0.000 3.171) 3.663 2.026 ( -1.007 0.000 -1.029) 1.440 2.079 ( -2.935 0.000 4.479) 5.355 2.107 ( -2.279 0.000 -5.514) 5.966 2.184 ( -2.705 0.000 -2.776) 3.876 2.295 ( 5.316 0.000 4.836) 7.186 2.318 ( -3.470 0.000 -1.980) 3.995 2.390 ( 1.891 0.000 4.586) 4.960 2.403 ( 8.854 0.000 7.001) 11.288 2.532 ( -4.169 0.000 -2.918) 5.089 2.548 ( -0.628 0.000 10.664) 10.682 2.676 ( -1.652 0.000 -0.486) 1.722 2.722 ( -3.237 0.000 -0.178) 3.242 2.733 ( -2.330 0.000 -5.678) 6.137 2.748 ( 4.078 0.000 -3.071) 5.105 2.779 ( -0.037 0.000 -3.577) 3.577 2.820 ( -2.346 0.000 -4.338) 4.932 2.853 ( -1.795 0.000 -2.917) 3.425 2.945 ( -0.183 0.000 1.301) 1.314 3.058 ( -2.329 0.000 -3.632) 4.315 3.080 ( -7.152 0.000 -14.485) 16.155 3.116 ( 2.798 0.000 1.996) 3.437 3.243 ( -3.320 0.000 -6.967) 7.718 3.254 ( -4.836 0.000 -0.745) 4.893 3.378 ( 4.071 0.000 1.016) 4.196 3.396 ( -7.041 0.000 -7.226) 10.089 3.417 ( 5.291 0.000 4.329) 6.836 3.587 ( 2.631 0.000 7.935) 8.360 3.639 ( -3.709 0.000 0.230) 3.716 3.658 ( -3.560 0.000 -5.388) 6.458 3.762 ( 3.959 0.000 0.820) 4.043 3.799 ( -2.046 0.000 5.331) 5.710 3.917 ( -0.834 0.000 4.937) 5.007 3.976 ( 1.087 0.000 -3.599) 3.760 4.021 ( 0.749 0.000 3.951) 4.022 4.053 ( 3.583 0.000 0.435) 3.610 4.158 ( 4.306 0.000 -1.495) 4.558 4.241 ( -5.778 0.000 4.087) 7.077 4.250 ( 3.237 0.000 1.012) 3.391 4.283 ( -0.502 0.000 -3.659) 3.694 4.333 ( 1.731 0.000 -2.111) 2.730 4.353 ( -3.259 0.000 4.092) 5.231 4.537 ( -4.264 0.000 -2.673) 5.032 4.560 ( -2.135 0.000 -3.611) 4.195 4.582 ( -2.786 0.000 -6.178) 6.777 4.617 ( -3.500 0.000 -8.932) 9.594 4.743 ( -4.740 0.000 -3.382) 5.823 4.791 ( -4.093 0.000 -9.592) 10.429 4.899 ( -5.455 0.000 -0.980) 5.542 4.933 ( 4.162 0.000 -7.831) 8.869 5.040 ( 7.230 0.000 2.462) 7.638 5.069 ( 0.755 0.000 5.333) 5.386 5.161 ( 2.576 0.000 -0.303) 2.594 5.247 ( -1.630 0.000 -0.569) 1.727 5.335 ( 0.596 0.000 4.513) 4.553 5.362 ( 5.541 0.000 5.152) 7.566 5.437 ( -3.768 0.000 -0.444) 3.794 5.446 ( -0.550 0.000 -0.390) 0.674 5.534 ( 3.446 0.000 1.330) 3.694 5.571 ( 3.851 0.000 5.838) 6.994 5.584 ( 4.345 0.000 1.291) 4.533 5.587 ( 1.134 0.000 0.961) 1.486 5.643 ( 0.049 0.000 4.295) 4.295 5.648 ( -1.105 0.000 -0.021) 1.105 5.727 ( -1.161 0.000 -3.146) 3.353 5.776 ( 0.124 0.000 -0.220) 0.252 5.802 ( -5.829 0.000 -4.963) 7.656 5.839 ( -0.720 0.000 -0.174) 0.741 5.859 ( -1.077 0.000 1.276) 1.670 5.880 ( 1.671 0.000 -3.189) 3.600 5.897 ( 0.703 0.000 0.079) 0.708 5.927 ( -0.353 0.000 0.097) 0.366 5.957 ( -2.607 0.000 1.501) 3.008 5.985 ( 1.377 0.000 -3.912) 4.147 6.053 ( 4.581 0.000 0.023) 4.581 6.057 ( 0.721 0.000 2.204) 2.319 6.324 ( 2.841 0.000 3.793) 4.739 6.352 ( 4.032 0.000 5.142) 6.534 6.369 ( 0.144 0.000 1.499) 1.506 6.427 ( 1.660 0.000 0.757) 1.824 6.819 ( 1.075 0.000 2.415) 2.644 6.886 ( -0.828 0.000 1.434) 1.656 6.911 ( -0.611 0.000 1.807) 1.908 6.933 ( -2.185 0.000 -0.029) 2.185 7.161 ( -0.907 0.000 4.893) 4.976 7.225 ( 1.091 0.000 -0.663) 1.276 7.256 ( -1.059 0.000 6.231) 6.320 7.287 ( 3.432 0.000 -0.084) 3.433 7.521 ( 1.107 0.000 5.537) 5.647 7.546 ( 0.100 0.000 5.850) 5.851 7.616 ( 2.577 0.000 -3.614) 4.438 7.668 ( 3.259 0.000 -1.362) 3.532 7.759 ( -0.184 0.000 -0.774) 0.795 7.767 ( -0.691 0.000 -4.511) 4.564 7.878 ( -4.190 0.000 -5.051) 6.563 7.905 ( -3.316 0.000 -5.976) 6.834 8.357 ( -0.605 0.000 2.988) 3.048 8.397 ( -0.598 0.000 2.745) 2.810 8.414 ( 0.897 0.000 -1.921) 2.120 8.438 ( 0.659 0.000 -0.756) 1.003 ======================= Grid point 68 (41/50) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -6.073 0.000 5.559) 8.233 1.387 ( -3.577 0.000 3.016) 4.679 1.547 ( 5.026 0.000 -2.395) 5.567 1.674 ( 5.153 0.000 -6.897) 8.609 1.794 ( 5.303 0.000 -3.904) 6.586 1.813 ( 6.614 0.000 -5.113) 8.360 1.973 ( 7.211 0.000 -1.692) 7.407 1.999 ( 1.204 0.000 -3.972) 4.150 2.017 ( 7.676 0.000 0.501) 7.692 2.037 ( 6.722 0.000 2.469) 7.161 2.047 ( 3.730 0.000 -7.243) 8.147 2.064 ( 5.660 0.000 -11.244) 12.588 2.220 ( 3.894 0.000 6.723) 7.769 2.247 ( 0.202 0.000 -1.354) 1.369 2.341 ( -9.864 0.000 -2.875) 10.274 2.432 ( 3.130 0.000 3.599) 4.770 2.462 ( -0.053 0.000 2.882) 2.882 2.570 ( 6.175 0.000 -5.996) 8.606 2.639 ( -6.575 0.000 -1.010) 6.652 2.639 ( -2.029 0.000 2.557) 3.264 2.671 ( 3.668 0.000 9.323) 10.019 2.688 ( 1.011 0.000 -0.795) 1.286 2.782 ( -2.451 0.000 -3.061) 3.922 2.794 ( 5.201 0.000 0.489) 5.224 2.823 ( 0.903 0.000 -5.864) 5.933 2.833 ( 0.828 0.000 -1.447) 1.667 2.895 ( -3.628 0.000 -4.300) 5.626 2.943 ( 3.781 0.000 1.670) 4.133 3.014 ( 2.107 0.000 6.193) 6.541 3.063 ( -2.304 0.000 -8.008) 8.333 3.192 ( -4.297 0.000 -0.500) 4.326 3.228 ( 5.396 0.000 2.634) 6.005 3.307 ( -0.746 0.000 6.161) 6.206 3.353 ( -3.082 0.000 -4.353) 5.334 3.479 ( -12.305 0.000 2.512) 12.559 3.605 ( 1.866 0.000 2.624) 3.220 3.609 ( -3.107 0.000 0.095) 3.108 3.635 ( 3.470 0.000 5.043) 6.121 3.715 ( -8.570 0.000 4.781) 9.813 3.798 ( -2.844 0.000 5.009) 5.760 3.832 ( -11.882 0.000 9.928) 15.483 3.923 ( -8.933 0.000 5.379) 10.427 3.988 ( -7.702 0.000 4.863) 9.109 4.001 ( -9.345 0.000 4.109) 10.208 4.134 ( -3.736 0.000 -1.089) 3.891 4.244 ( -0.917 0.000 -2.609) 2.765 4.265 ( 0.022 0.000 0.390) 0.391 4.290 ( 7.995 0.000 1.878) 8.212 4.352 ( -1.688 0.000 1.449) 2.225 4.455 ( 3.995 0.000 1.864) 4.408 4.457 ( -0.458 0.000 1.585) 1.650 4.508 ( 0.891 0.000 -1.899) 2.097 4.518 ( -0.697 0.000 -0.861) 1.108 4.549 ( 0.268 0.000 -5.958) 5.964 4.614 ( -2.395 0.000 2.829) 3.706 4.723 ( 2.581 0.000 -2.279) 3.443 4.888 ( 2.840 0.000 -2.678) 3.903 5.002 ( 7.693 0.000 -7.472) 10.724 5.076 ( -0.646 0.000 -1.431) 1.570 5.189 ( 3.239 0.000 -3.580) 4.827 5.233 ( 5.574 0.000 1.120) 5.686 5.234 ( 0.078 0.000 -6.056) 6.056 5.351 ( -0.658 0.000 -0.414) 0.778 5.377 ( 2.626 0.000 3.187) 4.130 5.408 ( -2.409 0.000 0.889) 2.568 5.491 ( 2.321 0.000 -2.510) 3.419 5.564 ( -0.934 0.000 5.476) 5.555 5.586 ( -1.520 0.000 0.513) 1.604 5.592 ( -3.976 0.000 -1.289) 4.179 5.608 ( -0.518 0.000 -1.395) 1.488 5.661 ( 1.324 0.000 -0.025) 1.325 5.690 ( 2.118 0.000 3.009) 3.680 5.709 ( 0.068 0.000 -1.701) 1.702 5.714 ( 1.357 0.000 -3.193) 3.470 5.801 ( -0.376 0.000 -1.653) 1.696 5.813 ( 0.165 0.000 3.697) 3.701 5.841 ( 0.099 0.000 0.192) 0.216 5.891 ( 0.083 0.000 -2.523) 2.524 5.909 ( -2.895 0.000 1.543) 3.280 5.911 ( 0.377 0.000 -1.092) 1.155 5.942 ( 2.155 0.000 0.577) 2.231 5.982 ( 0.041 0.000 -1.142) 1.143 6.064 ( -0.754 0.000 -0.928) 1.196 6.116 ( 2.782 0.000 -3.144) 4.198 6.364 ( -1.471 0.000 -0.032) 1.471 6.376 ( 0.390 0.000 1.342) 1.398 6.426 ( 0.899 0.000 0.995) 1.341 6.430 ( -0.871 0.000 -2.134) 2.304 6.854 ( -1.719 0.000 -0.835) 1.911 6.894 ( 3.936 0.000 1.513) 4.217 6.918 ( 0.671 0.000 1.290) 1.454 6.920 ( 1.064 0.000 0.647) 1.245 7.182 ( -0.454 0.000 3.408) 3.438 7.241 ( 0.751 0.000 -1.976) 2.114 7.261 ( -2.036 0.000 2.708) 3.388 7.354 ( 3.292 0.000 -2.816) 4.332 7.538 ( -2.618 0.000 3.800) 4.614 7.588 ( -0.918 0.000 5.149) 5.231 7.625 ( 0.872 0.000 -3.598) 3.702 7.659 ( -1.190 0.000 -5.662) 5.786 7.774 ( -1.339 0.000 -3.032) 3.314 7.781 ( 2.882 0.000 2.241) 3.650 7.798 ( 2.371 0.000 2.711) 3.602 7.818 ( -0.589 0.000 -4.725) 4.761 8.366 ( -0.761 0.000 2.593) 2.703 8.408 ( -0.361 0.000 2.103) 2.134 8.415 ( 0.774 0.000 -2.334) 2.459 8.443 ( 0.647 0.000 -1.427) 1.567 ======================= Grid point 69 (42/50) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 3.562 0.000 22.972) 23.247 1.383 ( -3.735 0.000 16.648) 17.062 1.715 ( 2.836 0.000 -4.394) 5.230 1.734 ( 11.560 0.000 0.194) 11.562 1.858 ( 1.015 0.000 -4.862) 4.967 1.915 ( 4.676 0.000 -0.346) 4.689 1.935 ( -0.488 0.000 -9.318) 9.330 2.032 ( 8.261 0.000 -8.003) 11.501 2.102 ( 2.992 0.000 -3.099) 4.307 2.130 ( 6.763 0.000 -3.005) 7.401 2.201 ( 13.621 0.000 -11.132) 17.591 2.205 ( 11.027 0.000 -4.115) 11.769 2.310 ( 9.733 0.000 -0.692) 9.758 2.336 ( -1.685 0.000 -3.851) 4.203 2.404 ( 9.521 0.000 7.282) 11.987 2.448 ( 4.810 0.000 0.666) 4.856 2.500 ( 3.156 0.000 -14.102) 14.451 2.501 ( 0.053 0.000 6.551) 6.552 2.569 ( -4.165 0.000 -5.469) 6.875 2.631 ( 1.109 0.000 3.279) 3.461 2.707 ( -0.310 0.000 -3.091) 3.106 2.727 ( -0.981 0.000 1.268) 1.603 2.761 ( 6.901 0.000 -4.381) 8.175 2.801 ( 2.616 0.000 2.547) 3.651 2.804 ( 1.996 0.000 4.169) 4.622 2.909 ( 3.827 0.000 -0.222) 3.834 2.972 ( -1.188 0.000 -3.689) 3.876 2.989 ( -9.675 0.000 9.603) 13.632 3.081 ( 4.219 0.000 2.043) 4.688 3.095 ( 2.750 0.000 15.206) 15.453 3.139 ( -1.378 0.000 2.689) 3.021 3.210 ( -7.615 0.000 -0.226) 7.618 3.291 ( -1.074 0.000 1.727) 2.033 3.351 ( 0.993 0.000 0.121) 1.000 3.451 ( 8.782 0.000 6.621) 10.998 3.518 ( -9.146 0.000 6.637) 11.300 3.531 ( -11.672 0.000 7.888) 14.087 3.598 ( -6.472 0.000 -4.501) 7.883 3.626 ( -7.173 0.000 7.376) 10.289 3.671 ( -12.515 0.000 9.223) 15.546 3.739 ( -6.687 0.000 4.300) 7.950 3.772 ( -5.126 0.000 5.282) 7.360 3.821 ( -11.109 0.000 1.119) 11.165 3.887 ( -3.947 0.000 1.892) 4.378 4.081 ( 0.304 0.000 -0.473) 0.562 4.220 ( -0.453 0.000 4.025) 4.051 4.252 ( 0.056 0.000 -1.024) 1.026 4.323 ( -0.633 0.000 -3.058) 3.123 4.382 ( -0.247 0.000 -8.817) 8.821 4.499 ( 3.740 0.000 4.854) 6.128 4.551 ( 1.522 0.000 -0.050) 1.523 4.560 ( 5.212 0.000 9.848) 11.142 4.569 ( 1.909 0.000 6.413) 6.691 4.576 ( 5.971 0.000 8.890) 10.709 4.742 ( 5.925 0.000 6.337) 8.676 4.805 ( 4.781 0.000 0.585) 4.816 4.879 ( -0.583 0.000 -3.734) 3.779 5.006 ( -0.290 0.000 -0.659) 0.720 5.147 ( -0.065 0.000 -5.124) 5.124 5.152 ( 6.925 0.000 -7.373) 10.115 5.178 ( -0.877 0.000 -3.861) 3.959 5.340 ( -3.110 0.000 -4.187) 5.216 5.351 ( -3.273 0.000 -1.108) 3.455 5.376 ( 5.696 0.000 0.594) 5.727 5.428 ( -1.539 0.000 -1.913) 2.455 5.451 ( -1.224 0.000 4.695) 4.852 5.485 ( -2.129 0.000 -3.288) 3.917 5.543 ( -0.672 0.000 -3.680) 3.741 5.548 ( -2.709 0.000 -2.965) 4.016 5.590 ( -1.016 0.000 -3.171) 3.330 5.671 ( -1.230 0.000 0.234) 1.252 5.681 ( -0.263 0.000 -1.372) 1.397 5.711 ( 0.053 0.000 0.406) 0.409 5.766 ( 0.445 0.000 0.282) 0.526 5.800 ( -1.871 0.000 -1.090) 2.166 5.840 ( -2.212 0.000 2.306) 3.196 5.848 ( 2.161 0.000 0.485) 2.215 5.870 ( 1.337 0.000 1.708) 2.169 5.904 ( 2.868 0.000 -0.113) 2.870 5.934 ( 3.068 0.000 -0.971) 3.218 5.982 ( 1.026 0.000 0.895) 1.361 5.991 ( 2.156 0.000 -0.594) 2.237 6.014 ( -2.301 0.000 -2.701) 3.548 6.114 ( 0.310 0.000 -4.693) 4.703 6.302 ( -3.888 0.000 -2.700) 4.733 6.360 ( -2.759 0.000 -5.956) 6.564 6.366 ( -1.893 0.000 0.009) 1.893 6.408 ( -1.952 0.000 -2.125) 2.886 6.833 ( 0.049 0.000 -0.632) 0.634 6.890 ( -2.354 0.000 -0.149) 2.359 6.954 ( 1.488 0.000 -1.200) 1.912 6.990 ( 1.790 0.000 -1.982) 2.671 7.211 ( 1.957 0.000 1.640) 2.553 7.226 ( 0.344 0.000 -2.324) 2.350 7.249 ( 0.625 0.000 1.304) 1.446 7.357 ( 0.613 0.000 -5.402) 5.437 7.504 ( -3.233 0.000 3.453) 4.731 7.562 ( -2.443 0.000 -5.816) 6.308 7.567 ( -3.960 0.000 2.448) 4.656 7.604 ( -1.108 0.000 -4.164) 4.309 7.750 ( 0.649 0.000 0.081) 0.654 7.780 ( 0.953 0.000 -2.538) 2.711 7.915 ( 6.149 0.000 4.643) 7.705 7.921 ( 5.385 0.000 5.083) 7.405 8.370 ( -0.614 0.000 2.288) 2.369 8.408 ( 0.535 0.000 -2.645) 2.698 8.414 ( -0.413 0.000 1.407) 1.466 8.444 ( 0.863 0.000 -1.750) 1.952 ======================= Grid point 70 (43/50) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 2.212 0.000 22.929) 23.036 1.633 ( 2.915 0.000 18.469) 18.698 1.724 ( -7.173 0.000 2.601) 7.630 1.735 ( -0.218 0.000 6.483) 6.487 1.888 ( 5.949 0.000 -8.133) 10.076 1.975 ( 7.838 0.000 -6.965) 10.485 2.012 ( 3.369 0.000 7.513) 8.234 2.103 ( -2.883 0.000 -10.666) 11.049 2.201 ( 5.953 0.000 -6.198) 8.594 2.224 ( 7.080 0.000 -1.186) 7.179 2.239 ( 3.592 0.000 -1.681) 3.965 2.325 ( -1.486 0.000 4.996) 5.213 2.360 ( -3.221 0.000 4.394) 5.448 2.404 ( 5.132 0.000 0.886) 5.208 2.418 ( 1.704 0.000 -8.086) 8.263 2.514 ( -2.803 0.000 6.845) 7.397 2.610 ( 4.182 0.000 -8.264) 9.262 2.637 ( 9.367 0.000 -4.619) 10.444 2.647 ( 16.792 0.000 -6.801) 18.117 2.692 ( -6.220 0.000 1.914) 6.508 2.752 ( 8.148 0.000 -0.993) 8.208 2.775 ( -5.097 0.000 -1.736) 5.385 2.795 ( 1.605 0.000 9.139) 9.279 2.853 ( 7.655 0.000 -0.374) 7.665 2.859 ( -2.243 0.000 4.570) 5.091 2.929 ( 17.480 0.000 -5.384) 18.291 2.955 ( 0.029 0.000 -0.810) 0.810 2.986 ( 1.045 0.000 0.148) 1.055 3.027 ( 0.297 0.000 4.233) 4.244 3.145 ( -0.034 0.000 -0.371) 0.372 3.158 ( -1.531 0.000 3.176) 3.526 3.233 ( -6.860 0.000 5.464) 8.770 3.300 ( -4.120 0.000 5.555) 6.916 3.338 ( -7.771 0.000 -7.984) 11.142 3.384 ( -7.602 0.000 5.838) 9.585 3.387 ( -11.289 0.000 8.499) 14.131 3.482 ( 1.973 0.000 7.297) 7.559 3.485 ( -2.889 0.000 6.538) 7.148 3.557 ( -5.232 0.000 5.128) 7.325 3.591 ( -0.812 0.000 5.011) 5.077 3.663 ( -1.198 0.000 4.287) 4.452 3.676 ( -7.428 0.000 1.033) 7.499 3.839 ( 5.553 0.000 1.180) 5.677 3.848 ( 5.922 0.000 1.591) 6.132 4.096 ( 0.604 0.000 -1.304) 1.437 4.244 ( -1.833 0.000 -0.823) 2.010 4.245 ( -0.207 0.000 0.375) 0.428 4.322 ( -0.132 0.000 -3.820) 3.822 4.386 ( 7.615 0.000 6.769) 10.188 4.581 ( 2.154 0.000 -0.218) 2.165 4.640 ( 0.527 0.000 5.658) 5.683 4.651 ( 6.604 0.000 7.028) 9.644 4.736 ( 4.887 0.000 6.126) 7.837 4.773 ( 2.468 0.000 9.321) 9.642 4.857 ( 3.022 0.000 -4.987) 5.831 4.860 ( 1.111 0.000 4.169) 4.314 4.923 ( 5.474 0.000 3.806) 6.667 5.001 ( -1.137 0.000 3.470) 3.651 5.098 ( -4.020 0.000 -8.466) 9.372 5.141 ( 2.487 0.000 -2.476) 3.510 5.165 ( 0.136 0.000 -2.403) 2.407 5.189 ( -9.427 0.000 -6.036) 11.194 5.245 ( -3.287 0.000 -3.132) 4.540 5.316 ( -6.619 0.000 -0.618) 6.648 5.416 ( 1.081 0.000 0.692) 1.284 5.464 ( -0.988 0.000 -1.762) 2.020 5.484 ( -1.854 0.000 1.669) 2.495 5.521 ( 5.368 0.000 -1.607) 5.603 5.531 ( 2.899 0.000 -4.717) 5.536 5.553 ( -0.877 0.000 -2.676) 2.816 5.627 ( -3.668 0.000 -1.018) 3.807 5.640 ( -0.812 0.000 -1.890) 2.057 5.707 ( 0.473 0.000 -0.628) 0.786 5.743 ( -1.492 0.000 -1.508) 2.121 5.783 ( -0.665 0.000 0.216) 0.699 5.824 ( -1.880 0.000 0.365) 1.916 5.840 ( -0.096 0.000 -1.459) 1.462 5.887 ( -1.034 0.000 -2.668) 2.861 5.920 ( -0.801 0.000 -2.107) 2.255 5.945 ( -1.401 0.000 -0.694) 1.563 5.978 ( 0.002 0.000 0.544) 0.544 6.046 ( 2.704 0.000 0.351) 2.726 6.061 ( 2.327 0.000 0.314) 2.348 6.081 ( 1.181 0.000 -3.431) 3.628 6.178 ( -4.216 0.000 -3.614) 5.553 6.259 ( -1.715 0.000 -5.712) 5.964 6.304 ( -3.967 0.000 -0.735) 4.034 6.335 ( -2.519 0.000 -3.481) 4.297 6.833 ( 0.184 0.000 -0.697) 0.720 6.836 ( -2.365 0.000 0.187) 2.372 6.936 ( -3.078 0.000 -3.234) 4.464 6.939 ( -0.852 0.000 -3.121) 3.235 7.240 ( 1.841 0.000 -0.624) 1.944 7.260 ( 0.799 0.000 0.917) 1.216 7.291 ( 0.765 0.000 0.785) 1.096 7.317 ( -0.212 0.000 -4.389) 4.395 7.470 ( -2.987 0.000 3.436) 4.553 7.489 ( 0.253 0.000 -4.730) 4.737 7.497 ( -4.054 0.000 1.665) 4.383 7.549 ( -0.234 0.000 -4.579) 4.585 7.778 ( 1.031 0.000 1.511) 1.829 7.799 ( 1.891 0.000 -1.036) 2.156 8.053 ( 3.873 0.000 3.586) 5.279 8.065 ( 5.163 0.000 2.314) 5.657 8.376 ( -0.708 0.000 1.866) 1.996 8.400 ( 0.695 0.000 -2.306) 2.408 8.420 ( 0.035 0.000 1.561) 1.561 8.452 ( 1.151 0.000 -1.376) 1.794 ======================= Grid point 71 (44/50) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -0.484 -1.413 16.255) 16.324 1.631 ( 1.673 -6.636 19.735) 20.888 1.835 ( -4.896 6.072 4.183) 8.851 1.882 ( -4.813 0.005 2.417) 5.386 1.936 ( -9.056 6.336 10.358) 15.148 1.958 ( -2.332 4.293 -6.584) 8.198 2.034 ( -0.068 -2.310 -0.500) 2.364 2.064 ( -4.921 -6.121 -1.713) 8.038 2.187 ( -1.702 4.347 7.094) 8.492 2.211 ( 3.462 -1.116 -1.127) 3.808 2.277 ( -8.117 -4.538 1.150) 9.370 2.282 ( -2.618 -5.203 3.666) 6.882 2.371 ( 0.693 2.644 -2.393) 3.633 2.409 ( -1.361 -0.341 -2.013) 2.453 2.433 ( 0.123 4.064 -5.129) 6.545 2.482 ( 0.052 0.999 -3.137) 3.293 2.544 ( 1.738 1.132 -0.892) 2.258 2.624 ( -2.652 -0.929 0.840) 2.933 2.705 ( -3.990 0.516 1.821) 4.416 2.768 ( -0.817 -3.308 -0.631) 3.466 2.825 ( -1.458 0.327 6.910) 7.069 2.860 ( -1.149 1.398 1.843) 2.583 2.864 ( 2.760 0.233 0.288) 2.785 2.891 ( -0.029 -2.964 0.975) 3.120 2.957 ( -1.116 3.705 1.174) 4.044 2.997 ( -1.009 1.281 0.866) 1.846 3.023 ( 5.871 -2.617 0.421) 6.442 3.048 ( -2.767 -3.859 -2.798) 5.512 3.096 ( 4.637 3.304 3.694) 6.787 3.151 ( 2.216 3.114 0.694) 3.885 3.169 ( 11.758 -2.465 0.574) 12.028 3.233 ( 5.675 -2.279 -0.839) 6.173 3.273 ( 1.240 1.303 2.531) 3.105 3.287 ( 7.786 1.716 1.157) 8.056 3.315 ( 1.972 1.477 -0.785) 2.586 3.354 ( 8.676 -2.544 -1.622) 9.186 3.393 ( -1.633 -1.010 -1.186) 2.257 3.425 ( -0.682 -1.987 -6.142) 6.491 3.533 ( -5.015 3.364 -7.584) 9.695 3.565 ( 0.330 -0.071 -8.074) 8.081 3.784 ( 2.079 3.984 7.506) 8.749 3.856 ( 3.896 -3.494 0.947) 5.318 3.897 ( 5.998 2.122 6.460) 9.067 3.965 ( 2.560 -2.527 2.763) 4.536 4.112 ( -0.051 -0.124 -1.039) 1.048 4.146 ( 0.695 -2.861 -0.810) 3.053 4.285 ( -1.767 2.463 -3.301) 4.482 4.306 ( 2.313 -0.094 -6.236) 6.652 4.583 ( 0.300 -1.133 -0.834) 1.438 4.604 ( 2.334 -2.310 -0.889) 3.402 4.687 ( -3.247 -1.118 2.293) 4.129 4.698 ( -3.165 -2.530 0.762) 4.123 4.803 ( 2.101 3.044 6.926) 7.852 4.849 ( 4.257 -1.276 6.168) 7.602 4.897 ( 5.421 2.684 0.921) 6.119 4.926 ( 4.060 0.953 1.498) 4.432 4.990 ( 1.579 1.688 4.912) 5.429 5.036 ( 0.299 2.813 2.833) 4.003 5.049 ( -0.346 1.261 -0.560) 1.422 5.087 ( 0.194 0.972 -0.761) 1.250 5.094 ( -2.268 1.692 -3.850) 4.778 5.135 ( -4.603 -0.235 -4.261) 6.277 5.170 ( 0.006 -1.304 -2.214) 2.570 5.229 ( -3.132 -3.230 -4.192) 6.149 5.415 ( -2.527 0.898 3.155) 4.141 5.458 ( -0.562 -1.156 3.169) 3.420 5.468 ( -0.646 -0.270 -0.043) 0.702 5.512 ( -1.408 -2.700 -0.935) 3.185 5.542 ( -1.135 1.748 -0.869) 2.258 5.561 ( -1.465 0.362 -1.375) 2.041 5.576 ( 0.733 0.298 -2.438) 2.564 5.595 ( 0.228 -1.960 -3.336) 3.876 5.715 ( -0.929 0.784 1.064) 1.616 5.729 ( -0.931 -0.524 -0.070) 1.071 5.752 ( -1.460 0.340 0.672) 1.643 5.772 ( -0.546 -1.045 -0.822) 1.437 5.816 ( 1.838 0.764 -1.576) 2.539 5.827 ( 0.183 -0.268 -1.805) 1.833 5.888 ( -0.526 -0.105 -1.727) 1.809 5.894 ( -1.443 -0.757 -1.905) 2.507 6.007 ( 0.182 3.747 -0.489) 3.783 6.037 ( -1.394 1.049 -2.907) 3.390 6.074 ( 1.195 -0.823 -0.047) 1.452 6.091 ( -0.699 -1.492 -1.467) 2.206 6.173 ( 2.596 0.498 1.476) 3.028 6.190 ( -0.579 -1.175 0.969) 1.629 6.247 ( -2.094 0.801 -1.688) 2.807 6.262 ( -2.307 -0.779 -2.309) 3.356 6.816 ( -0.623 0.387 0.710) 1.021 6.824 ( -0.329 -0.378 0.084) 0.508 6.880 ( -1.068 0.694 -1.003) 1.621 6.892 ( -0.794 -0.476 -1.907) 2.120 7.237 ( -1.417 -0.223 1.128) 1.825 7.247 ( -1.841 -1.124 0.382) 2.191 7.295 ( -0.213 1.437 0.184) 1.464 7.307 ( -0.269 0.272 -0.914) 0.991 7.435 ( -3.150 0.474 2.960) 4.348 7.446 ( -2.762 -0.577 3.284) 4.330 7.507 ( 2.835 0.955 -3.622) 4.698 7.528 ( 2.552 -1.104 -3.990) 4.863 7.810 ( 0.953 0.635 -0.183) 1.160 7.822 ( 1.577 -0.485 -1.314) 2.109 8.120 ( 0.778 0.308 0.944) 1.262 8.128 ( 1.042 -0.488 0.035) 1.151 8.372 ( -1.111 0.553 1.324) 1.815 8.387 ( -0.148 -1.014 0.110) 1.030 8.441 ( -0.014 0.746 0.236) 0.782 8.454 ( 0.291 -0.582 -0.730) 0.978 ======================= Grid point 72 (45/50) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -5.626 1.046 11.930) 13.232 1.677 ( -8.045 -1.270 13.509) 15.775 1.754 ( -6.921 2.420 -1.970) 7.592 1.767 ( -2.758 0.141 -0.979) 2.930 1.860 ( -3.144 2.154 5.903) 7.027 1.914 ( -3.367 -3.199 -4.449) 6.432 1.973 ( -5.872 -1.725 2.683) 6.682 2.009 ( -6.689 -3.323 12.001) 14.136 2.102 ( -7.325 1.170 10.465) 12.827 2.137 ( -4.674 -1.600 13.866) 14.720 2.257 ( -5.947 2.972 -3.562) 7.542 2.275 ( 0.287 0.006 -1.436) 1.464 2.306 ( -9.403 1.554 -0.441) 9.541 2.361 ( -5.711 -1.987 -1.344) 6.194 2.415 ( 0.658 3.288 2.515) 4.191 2.428 ( 1.324 2.933 -0.901) 3.342 2.519 ( -5.525 2.486 0.710) 6.100 2.567 ( 0.841 0.117 -2.026) 2.196 2.581 ( -9.292 -5.175 0.757) 10.663 2.710 ( 1.882 -8.087 -3.849) 9.151 2.722 ( -1.807 1.242 1.162) 2.481 2.764 ( -3.997 -3.153 0.800) 5.153 2.869 ( -2.753 2.263 -1.095) 3.729 2.899 ( -5.516 6.374 -3.829) 9.258 2.910 ( -5.241 -0.014 -0.259) 5.247 2.979 ( -1.207 -1.927 -4.538) 5.076 3.071 ( 5.549 -0.079 -0.343) 5.560 3.107 ( 3.675 -1.338 -4.428) 5.908 3.141 ( 1.264 3.200 -1.635) 3.809 3.170 ( -1.162 -0.425 -5.292) 5.435 3.207 ( -0.366 3.235 -6.144) 6.953 3.296 ( -3.682 -2.880 -7.392) 8.746 3.371 ( 5.711 1.358 -2.418) 6.349 3.403 ( 1.303 -0.087 -0.529) 1.409 3.438 ( 8.652 2.410 2.514) 9.327 3.471 ( 7.147 1.161 1.314) 7.359 3.487 ( 8.057 0.182 6.167) 10.148 3.549 ( 13.098 -0.452 -6.925) 14.822 3.574 ( 5.711 -4.189 -3.773) 8.025 3.621 ( 18.027 -3.600 -5.855) 19.293 3.839 ( 1.897 3.619 -3.516) 5.390 3.878 ( 2.704 -0.827 -7.444) 7.963 3.949 ( -1.144 1.962 -3.931) 4.540 3.954 ( -0.947 0.774 -7.890) 7.984 4.105 ( 0.048 0.144 0.843) 0.856 4.153 ( -0.694 -2.271 -2.122) 3.185 4.254 ( 1.414 0.163 0.854) 1.660 4.303 ( -0.210 -2.600 -2.965) 3.949 4.548 ( -0.208 0.885 -2.211) 2.391 4.592 ( -0.443 -3.079 -1.645) 3.519 4.662 ( -3.262 0.111 5.026) 5.993 4.694 ( -4.249 -3.187 2.895) 6.049 4.826 ( -4.761 3.926 -4.219) 7.475 4.876 ( -4.252 2.857 -8.735) 10.126 4.893 ( 1.888 -1.432 -1.386) 2.745 4.916 ( 3.962 -0.052 -1.143) 4.124 4.987 ( -4.597 -0.607 -5.170) 6.945 5.006 ( -3.054 0.335 0.540) 3.120 5.049 ( -1.147 -0.762 -2.077) 2.492 5.070 ( 0.345 -0.452 -2.967) 3.021 5.123 ( 5.063 4.453 5.673) 8.812 5.172 ( 2.261 6.043 2.820) 7.042 5.193 ( 4.218 -2.458 5.291) 7.199 5.246 ( 2.455 -0.702 0.393) 2.584 5.373 ( -6.962 0.158 3.090) 7.618 5.406 ( -0.782 -1.601 4.642) 4.972 5.475 ( -4.091 -1.438 1.769) 4.683 5.483 ( -3.921 0.012 -1.010) 4.049 5.501 ( 2.107 0.250 2.715) 3.445 5.539 ( -0.717 -0.775 1.565) 1.888 5.563 ( 0.896 1.690 0.267) 1.931 5.614 ( 2.959 -2.657 0.452) 4.002 5.708 ( -0.126 1.047 1.615) 1.929 5.741 ( 1.189 -2.129 2.519) 3.506 5.750 ( 1.971 0.623 -1.598) 2.613 5.778 ( 2.321 -1.431 -0.526) 2.777 5.851 ( 1.793 1.711 -1.197) 2.753 5.876 ( 2.720 -0.581 -0.581) 2.841 5.894 ( 2.449 1.003 0.978) 2.821 5.920 ( 2.654 -1.740 1.165) 3.380 5.998 ( -0.640 1.437 -0.516) 1.655 6.016 ( -0.826 0.516 1.435) 1.734 6.054 ( -1.138 0.754 -0.831) 1.598 6.085 ( -0.658 -1.409 -0.171) 1.564 6.142 ( -1.903 2.984 -0.468) 3.570 6.192 ( -1.885 -2.063 -0.749) 2.893 6.259 ( 1.990 0.071 3.257) 3.817 6.267 ( 2.927 -0.575 2.635) 3.980 6.815 ( -0.404 0.699 1.294) 1.525 6.828 ( 0.400 -0.585 0.865) 1.118 6.881 ( 0.606 0.466 1.620) 1.791 6.890 ( 1.043 -0.394 0.842) 1.398 7.203 ( -3.053 0.069 2.654) 4.046 7.213 ( -2.574 -0.825 3.344) 4.300 7.289 ( -1.246 0.989 0.052) 1.592 7.300 ( -0.889 -0.086 0.125) 0.902 7.409 ( -1.395 1.167 3.852) 4.260 7.434 ( -0.986 -1.158 4.331) 4.590 7.545 ( 3.539 0.506 -3.096) 4.729 7.556 ( 3.215 -0.593 -3.880) 5.073 7.814 ( 0.280 0.789 -1.969) 2.140 7.830 ( 0.891 -0.687 -3.124) 3.320 8.103 ( -2.394 0.275 -1.266) 2.722 8.110 ( -2.059 -0.419 -2.013) 2.910 8.359 ( -1.279 0.885 1.963) 2.504 8.383 ( -0.796 -1.489 1.143) 2.039 8.432 ( -0.647 0.820 -0.129) 1.052 8.444 ( -0.554 -0.403 -0.840) 1.084 ======================= Grid point 73 (46/50) ======================= q-point: ( 0.29 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -6.834 -0.467 -1.870) 7.101 1.616 ( -2.667 -3.029 -2.692) 4.851 1.651 ( -4.534 -2.199 1.374) 5.224 1.657 ( -4.784 -2.530 7.565) 9.301 1.821 ( -6.429 4.018 6.263) 9.834 1.889 ( -1.461 0.534 5.137) 5.367 1.899 ( -4.007 -1.693 4.575) 6.312 1.912 ( -0.972 -1.679 6.625) 6.904 1.990 ( -11.359 3.151 -3.450) 12.282 2.049 ( -7.870 6.941 -1.369) 10.583 2.083 ( -5.784 -2.248 -3.939) 7.350 2.186 ( -6.966 -4.435 -1.738) 8.439 2.260 ( 2.672 6.655 7.347) 10.267 2.303 ( -4.906 1.885 -3.867) 6.525 2.364 ( -2.484 2.409 2.693) 4.385 2.424 ( -3.346 7.198 -0.194) 7.940 2.475 ( -5.083 0.784 -4.092) 6.573 2.535 ( -2.190 -3.592 0.891) 4.301 2.572 ( 6.811 -3.195 5.864) 9.538 2.669 ( 0.820 -6.993 1.625) 7.226 2.708 ( -2.860 3.836 -0.672) 4.831 2.758 ( -2.084 3.161 -3.331) 5.043 2.785 ( -2.633 -4.796 -3.029) 6.254 2.797 ( -1.281 -0.750 -4.812) 5.036 2.837 ( 0.092 -2.089 -3.848) 4.380 2.870 ( 0.933 -2.231 0.751) 2.532 3.002 ( -4.360 2.292 -6.561) 8.205 3.057 ( -4.800 -0.605 -5.548) 7.361 3.126 ( -0.714 2.001 0.335) 2.151 3.196 ( 3.054 -0.535 -0.326) 3.118 3.240 ( 2.905 -2.831 0.567) 4.096 3.265 ( 2.693 -2.776 0.146) 3.870 3.339 ( -2.134 -0.807 -3.603) 4.265 3.391 ( -4.688 -7.124 -6.589) 10.777 3.552 ( 1.465 5.467 -3.020) 6.416 3.604 ( 3.915 1.821 -3.443) 5.523 3.619 ( 4.154 -1.272 -0.919) 4.440 3.637 ( 2.735 1.233 -2.076) 3.648 3.727 ( 6.296 1.773 0.109) 6.542 3.783 ( -1.970 -2.102 -7.682) 8.204 3.895 ( 10.789 2.240 -5.032) 12.114 3.918 ( 5.859 4.447 -4.464) 8.604 3.930 ( 9.028 -0.652 -8.268) 12.259 3.949 ( 5.814 1.155 -4.001) 7.151 4.107 ( 2.122 1.257 -1.145) 2.720 4.157 ( 1.676 -3.224 -0.266) 3.643 4.260 ( -1.613 1.080 4.293) 4.712 4.299 ( -1.840 -2.918 1.934) 3.955 4.484 ( -4.858 5.062 -5.693) 9.035 4.534 ( -7.456 1.275 -2.762) 8.053 4.552 ( -1.333 0.387 -2.018) 2.449 4.604 ( -4.836 -2.606 -0.935) 5.573 4.753 ( -2.196 0.923 -3.055) 3.874 4.782 ( -5.457 -0.842 -6.014) 8.164 4.860 ( 2.405 0.961 -4.537) 5.225 4.869 ( -2.568 -1.363 -7.448) 7.995 4.909 ( -2.116 -1.890 -4.388) 5.225 4.927 ( 0.449 -3.738 -3.071) 4.859 5.053 ( -0.714 2.515 3.716) 4.543 5.100 ( -5.519 2.449 1.015) 6.123 5.126 ( 4.546 -4.058 3.450) 7.002 5.147 ( -3.703 -1.381 -1.134) 4.111 5.303 ( -4.022 -0.468 1.590) 4.350 5.310 ( -4.717 -1.549 2.556) 5.584 5.351 ( 5.483 2.618 6.323) 8.769 5.395 ( 3.908 -1.758 3.446) 5.499 5.466 ( 4.107 4.244 6.994) 9.154 5.497 ( 0.979 1.049 4.249) 4.484 5.552 ( 0.489 1.835 0.822) 2.070 5.589 ( 1.355 -0.191 3.282) 3.556 5.610 ( 3.685 3.120 2.163) 5.291 5.672 ( 1.207 -2.155 0.635) 2.550 5.761 ( 3.095 -0.180 -1.155) 3.308 5.787 ( 1.714 1.981 -0.593) 2.686 5.803 ( 1.986 -3.064 0.793) 3.736 5.808 ( 2.164 -0.266 -0.603) 2.262 5.859 ( -0.482 0.692 0.277) 0.887 5.894 ( -1.046 -1.903 -0.909) 2.354 5.926 ( 0.451 -0.694 -2.462) 2.597 5.936 ( -0.784 -0.964 -0.942) 1.560 5.986 ( -0.925 1.133 0.130) 1.469 6.002 ( -2.202 -0.250 1.067) 2.460 6.007 ( -0.508 0.121 0.255) 0.581 6.021 ( -2.762 -0.530 -1.989) 3.445 6.216 ( 4.929 1.163 6.001) 7.853 6.227 ( 3.909 0.146 4.083) 5.655 6.334 ( 2.289 0.338 3.193) 3.943 6.348 ( 2.915 -0.950 3.009) 4.295 6.820 ( -0.399 1.587 2.097) 2.660 6.852 ( 0.533 -1.441 2.018) 2.536 6.911 ( 0.272 0.816 2.490) 2.634 6.929 ( 0.765 -0.949 2.338) 2.636 7.175 ( -2.430 1.248 4.051) 4.886 7.204 ( -1.917 -1.676 5.091) 5.693 7.250 ( -1.442 0.770 -0.340) 1.670 7.263 ( -1.420 -0.420 -0.125) 1.486 7.454 ( 1.573 1.260 5.573) 5.926 7.478 ( 1.016 -1.061 5.737) 5.922 7.591 ( 3.451 0.433 -3.357) 4.834 7.600 ( 3.805 -0.400 -2.288) 4.458 7.792 ( -0.490 0.716 -3.030) 3.152 7.807 ( -0.105 -0.779 -4.492) 4.561 8.010 ( -4.530 0.445 -3.897) 5.992 8.020 ( -4.163 -0.487 -4.381) 6.063 8.356 ( -0.838 0.910 2.722) 2.990 8.378 ( -0.874 -1.277 2.299) 2.771 8.423 ( 0.123 0.612 -0.872) 1.073 8.431 ( 0.094 -0.263 -0.736) 0.787 ======================= Grid point 74 (47/50) ======================= q-point: ( 0.43 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -4.206 2.706 -2.231) 5.476 1.501 ( -3.075 -0.342 -3.891) 4.971 1.621 ( 0.259 -2.019 -3.722) 4.242 1.639 ( -0.835 -4.931 -1.355) 5.182 1.763 ( -3.806 8.648 -2.394) 9.747 1.842 ( 0.788 -0.275 3.940) 4.027 1.857 ( -1.700 4.557 -6.971) 8.500 1.871 ( 0.748 3.809 -0.152) 3.884 1.978 ( 2.237 2.457 3.587) 4.890 2.012 ( -1.727 2.188 -0.948) 2.945 2.032 ( 0.950 -6.099 4.734) 7.779 2.078 ( 0.769 -2.569 2.259) 3.506 2.180 ( -2.017 -6.403 -5.058) 8.405 2.213 ( -1.722 -8.384 -6.148) 10.538 2.319 ( -2.695 4.203 -0.054) 4.993 2.347 ( -0.772 6.232 -2.226) 6.662 2.421 ( -3.975 -5.446 1.663) 6.945 2.470 ( -1.951 -2.964 -2.065) 4.105 2.590 ( -4.081 1.018 -3.903) 5.738 2.666 ( -5.195 -6.233 -3.545) 8.855 2.706 ( 2.510 2.945 2.261) 4.481 2.743 ( 1.277 5.375 2.015) 5.881 2.764 ( 5.227 0.185 2.372) 5.743 2.841 ( 2.358 3.422 -2.416) 4.807 2.849 ( 2.639 3.241 -2.398) 4.819 2.867 ( -2.187 0.070 -1.152) 2.472 2.927 ( -1.291 -1.412 -0.516) 1.982 3.040 ( 2.851 -6.924 3.437) 8.239 3.102 ( -1.437 4.731 0.785) 5.007 3.156 ( -0.341 3.448 -4.279) 5.506 3.200 ( -3.806 0.732 -2.293) 4.503 3.303 ( 3.957 -8.264 7.237) 11.676 3.326 ( -8.093 4.823 -4.671) 10.515 3.369 ( 3.012 0.777 0.347) 3.130 3.430 ( -3.591 -1.731 -4.228) 5.811 3.510 ( -0.731 -6.575 -1.506) 6.785 3.656 ( -2.096 2.092 0.756) 3.056 3.698 ( 1.261 1.997 -0.934) 2.540 3.728 ( -3.572 0.650 -0.399) 3.653 3.805 ( 0.323 -0.832 -1.107) 1.422 3.961 ( 0.500 1.678 0.707) 1.888 3.994 ( 2.026 -2.059 0.016) 2.888 4.002 ( 0.128 2.406 -1.250) 2.714 4.046 ( 0.591 -1.439 -0.137) 1.562 4.165 ( 3.125 1.285 0.115) 3.381 4.203 ( -0.501 -1.538 4.145) 4.450 4.266 ( 0.138 -0.067 1.058) 1.069 4.292 ( -0.857 -1.582 6.903) 7.133 4.344 ( -3.416 4.908 -0.217) 5.984 4.408 ( -1.133 3.570 -6.158) 7.208 4.474 ( -3.985 -4.789 -4.198) 7.513 4.507 ( -1.471 -3.856 -4.697) 6.253 4.643 ( -3.657 3.918 -4.510) 7.005 4.667 ( -3.487 3.214 -7.302) 8.707 4.734 ( -3.401 -0.583 -5.253) 6.285 4.772 ( -2.890 -2.543 -9.449) 10.203 4.910 ( -2.282 1.212 -1.705) 3.096 4.930 ( 1.387 -0.484 -5.012) 5.222 5.043 ( 5.468 0.648 3.275) 6.406 5.061 ( 1.372 -0.796 4.730) 4.989 5.174 ( 1.565 1.671 1.524) 2.751 5.230 ( 0.433 -2.763 2.494) 3.747 5.281 ( 4.475 -2.001 3.962) 6.303 5.314 ( 3.497 -3.717 4.083) 6.535 5.459 ( -1.613 2.499 0.753) 3.068 5.474 ( -1.214 1.331 0.402) 1.845 5.530 ( 0.992 0.189 1.018) 1.434 5.549 ( 2.742 -1.592 1.257) 3.411 5.608 ( 2.269 1.467 1.831) 3.264 5.625 ( 0.409 0.018 0.896) 0.986 5.634 ( -0.882 2.010 -3.375) 4.026 5.689 ( 0.539 0.995 1.406) 1.805 5.740 ( -3.931 -0.904 -3.180) 5.137 5.771 ( -0.851 1.167 2.218) 2.647 5.800 ( -0.142 1.352 -0.960) 1.664 5.839 ( -2.142 -0.540 0.193) 2.218 5.858 ( 0.172 0.425 1.036) 1.133 5.878 ( 2.503 0.006 0.932) 2.671 5.911 ( 0.756 0.999 -2.481) 2.780 5.937 ( -0.873 -0.320 0.327) 0.986 5.948 ( -2.085 0.101 -0.005) 2.087 5.963 ( 2.828 -2.523 -4.273) 5.712 6.035 ( 2.351 -0.346 1.483) 2.801 6.048 ( 1.364 -0.997 1.611) 2.334 6.332 ( 2.844 0.657 3.166) 4.306 6.344 ( 2.946 -0.630 3.050) 4.287 6.387 ( 1.208 1.452 2.641) 3.247 6.414 ( 1.539 -1.282 1.505) 2.505 6.838 ( 0.851 1.789 2.289) 3.027 6.873 ( 0.186 -1.511 1.928) 2.457 6.913 ( -1.548 0.427 1.166) 1.984 6.925 ( -2.058 -0.716 0.466) 2.228 7.172 ( -0.958 1.146 4.152) 4.412 7.201 ( -0.624 -1.797 2.438) 3.092 7.271 ( 1.566 1.035 2.681) 3.273 7.285 ( 2.815 -0.368 0.831) 2.958 7.528 ( 0.728 0.608 5.612) 5.692 7.540 ( 0.266 -0.556 5.740) 5.773 7.629 ( 2.680 1.266 -3.130) 4.311 7.655 ( 2.995 -1.275 -2.001) 3.821 7.760 ( -0.353 0.157 -1.631) 1.676 7.764 ( -0.582 -0.268 -3.072) 3.138 7.885 ( -3.881 0.688 -5.444) 6.721 7.899 ( -3.467 -0.642 -5.874) 6.851 8.366 ( -0.543 0.863 2.852) 3.029 8.385 ( -0.442 -1.017 2.517) 2.751 8.423 ( 0.681 0.632 -1.348) 1.637 8.434 ( 0.662 -0.455 -0.984) 1.270 ======================= Grid point 76 (48/50) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -4.523 9.910 3.613) 11.477 1.502 ( 3.609 8.981 -1.461) 9.789 1.580 ( -0.154 -5.105 1.280) 5.265 1.632 ( 1.143 -2.651 -1.401) 3.209 1.741 ( 4.035 -1.238 -2.636) 4.976 1.804 ( 2.250 4.195 -5.415) 7.210 1.953 ( 6.978 -1.790 -2.901) 7.766 1.978 ( 6.966 0.914 -4.124) 8.146 2.001 ( 5.593 -8.834 3.744) 11.106 2.027 ( 4.825 -0.378 -5.239) 7.133 2.063 ( 0.140 -0.041 -4.390) 4.393 2.126 ( 2.624 -3.051 1.570) 4.320 2.153 ( 1.113 2.508 -9.376) 9.769 2.188 ( 6.920 0.247 2.275) 7.289 2.348 ( 0.212 -3.614 -2.022) 4.147 2.370 ( -0.918 1.956 -1.415) 2.583 2.428 ( 6.007 -8.434 -3.793) 11.027 2.453 ( 5.947 -1.159 0.197) 6.062 2.546 ( 0.185 -5.652 2.358) 6.127 2.591 ( 3.473 -6.006 0.006) 6.938 2.697 ( -3.278 4.676 3.432) 6.662 2.733 ( -2.921 -0.571 -2.904) 4.158 2.784 ( -1.143 3.947 0.614) 4.155 2.819 ( -0.452 0.080 0.184) 0.495 2.856 ( -0.336 3.290 -3.490) 4.808 2.871 ( 0.692 3.956 -1.130) 4.172 2.967 ( -2.100 5.307 4.056) 7.002 3.015 ( -2.261 -0.315 -2.366) 3.288 3.141 ( 2.130 1.903 5.761) 6.430 3.159 ( -1.336 7.679 -0.862) 7.842 3.194 ( -6.773 -2.515 -6.392) 9.647 3.223 ( 5.106 0.132 2.917) 5.882 3.284 ( 1.883 9.250 5.548) 10.949 3.343 ( 0.621 0.746 -0.988) 1.385 3.451 ( -9.917 -5.338 -0.773) 11.289 3.519 ( 3.765 -9.287 4.954) 11.179 3.603 ( -3.909 0.844 3.454) 5.284 3.647 ( -5.939 0.380 2.641) 6.511 3.680 ( -2.902 -1.001 6.077) 6.808 3.755 ( -3.191 -4.954 -0.437) 5.909 3.853 ( -11.641 3.663 5.133) 13.239 3.935 ( -9.928 -4.075 3.290) 11.225 3.949 ( -6.586 2.038 4.949) 8.486 3.992 ( -6.393 -1.788 4.911) 8.258 4.150 ( -3.054 2.873 3.258) 5.310 4.239 ( 0.073 -5.441 4.202) 6.875 4.305 ( -0.657 4.268 0.689) 4.373 4.325 ( 4.487 1.015 0.339) 4.613 4.341 ( -0.141 5.857 -0.436) 5.874 4.409 ( 3.975 -0.636 -2.716) 4.856 4.453 ( 0.829 -5.271 1.710) 5.603 4.470 ( -0.843 -4.237 -2.167) 4.833 4.510 ( -2.295 1.739 -0.040) 2.880 4.570 ( -4.409 -3.409 2.856) 6.263 4.636 ( 1.340 6.654 -3.664) 7.713 4.723 ( 2.981 -2.045 -3.090) 4.756 4.926 ( 4.092 3.852 -3.528) 6.636 4.993 ( 8.267 -2.192 -6.676) 10.849 5.087 ( -0.572 2.493 -0.900) 2.712 5.155 ( 3.122 -3.479 -3.193) 5.661 5.245 ( 3.210 2.484 -0.420) 4.081 5.276 ( 3.422 1.782 -3.461) 5.183 5.363 ( -2.587 -2.565 -0.833) 3.737 5.381 ( -2.894 0.912 -1.588) 3.425 5.408 ( 1.827 1.521 2.691) 3.591 5.446 ( 3.790 0.051 1.409) 4.044 5.511 ( -2.621 -3.296 2.961) 5.148 5.554 ( -2.453 -4.534 -0.774) 5.213 5.605 ( -0.383 0.561 -0.859) 1.095 5.617 ( -0.204 -0.363 -0.683) 0.799 5.634 ( 0.689 0.864 0.827) 1.380 5.672 ( 0.373 -2.204 -1.903) 2.936 5.749 ( 1.196 5.151 2.363) 5.792 5.764 ( -0.173 2.619 -0.248) 2.636 5.797 ( -1.363 -0.977 1.076) 1.992 5.833 ( 0.912 -1.464 2.252) 2.837 5.859 ( -0.035 1.698 -0.061) 1.700 5.889 ( -1.793 -0.700 -0.055) 1.926 5.904 ( -0.310 0.630 -2.161) 2.272 5.922 ( 0.398 -0.097 -1.339) 1.400 5.953 ( 2.929 2.275 -0.538) 3.748 5.979 ( 0.749 -0.197 -3.006) 3.104 6.059 ( -0.345 0.006 -0.681) 0.763 6.089 ( 2.213 -2.526 -2.041) 3.930 6.365 ( -1.256 0.209 0.069) 1.275 6.372 ( -0.320 -0.419 0.583) 0.786 6.425 ( 0.248 0.106 0.252) 0.369 6.429 ( -0.010 -0.197 -0.763) 0.788 6.865 ( -1.384 1.135 -0.234) 1.805 6.890 ( 0.129 -1.072 0.533) 1.204 6.910 ( 2.998 0.419 1.442) 3.353 6.922 ( 2.304 -0.390 0.977) 2.532 7.186 ( -0.640 0.570 2.878) 3.003 7.207 ( -0.748 -1.696 1.438) 2.346 7.304 ( 0.380 2.495 -0.915) 2.685 7.341 ( 2.348 -1.376 -2.415) 3.639 7.548 ( -2.304 1.021 3.985) 4.715 7.572 ( -1.451 -1.334 4.386) 4.808 7.637 ( 0.525 0.934 -3.417) 3.581 7.653 ( -0.474 -0.637 -4.598) 4.666 7.779 ( 0.339 0.328 -1.074) 1.173 7.781 ( 2.231 0.067 1.489) 2.683 7.798 ( 1.209 0.270 0.294) 1.274 7.810 ( -0.450 -0.744 -3.915) 4.011 8.375 ( -0.680 0.893 2.375) 2.627 8.394 ( -0.426 -1.048 1.779) 2.108 8.425 ( 0.702 0.687 -1.664) 1.932 8.437 ( 0.695 -0.524 -1.563) 1.789 ======================= Grid point 77 (49/50) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -3.582 5.542 13.108) 14.675 1.541 ( -4.533 -13.506 2.770) 14.513 1.619 ( 3.839 16.019 15.487) 22.610 1.753 ( 7.914 3.202 -0.590) 8.558 1.824 ( 7.087 -6.208 -7.449) 12.011 1.893 ( 6.682 0.920 5.897) 8.959 2.024 ( 3.223 0.584 -0.363) 3.295 2.037 ( 2.634 0.754 -2.828) 3.938 2.105 ( 7.127 -1.626 -7.529) 10.494 2.131 ( 11.064 0.991 -10.370) 15.196 2.174 ( 7.152 -3.645 -5.874) 9.946 2.187 ( 4.263 -7.041 -5.132) 9.700 2.252 ( 13.402 1.751 -5.761) 14.693 2.290 ( 10.026 -3.320 -4.162) 11.352 2.349 ( 3.734 5.969 2.463) 7.459 2.478 ( 7.423 -0.516 -1.740) 7.641 2.504 ( 1.889 -1.648 2.637) 3.638 2.539 ( 5.578 -2.520 -2.312) 6.544 2.629 ( 1.387 6.500 4.267) 7.899 2.658 ( -0.394 3.391 -1.331) 3.664 2.690 ( -0.163 -1.265 -5.142) 5.297 2.712 ( -0.154 1.449 3.075) 3.403 2.763 ( 2.380 -3.844 -0.511) 4.550 2.791 ( 0.114 3.621 -0.333) 3.638 2.819 ( 3.111 -4.410 2.498) 5.947 2.883 ( -2.559 -1.818 -0.248) 3.148 2.901 ( -4.320 -1.995 0.871) 4.837 2.949 ( -5.222 -2.864 3.977) 7.162 3.086 ( -3.790 4.884 2.338) 6.609 3.139 ( -2.617 -0.256 2.208) 3.434 3.195 ( -3.917 1.291 5.527) 6.896 3.260 ( 2.683 -3.152 -1.640) 4.452 3.321 ( -2.472 7.021 -1.170) 7.535 3.342 ( 0.144 5.525 9.138) 10.680 3.437 ( 0.645 -4.403 2.315) 5.016 3.470 ( -1.305 -0.034 2.629) 2.935 3.534 ( -7.896 -4.509 1.981) 9.306 3.576 ( -2.194 -3.699 3.970) 5.853 3.637 ( -9.447 1.773 6.680) 11.705 3.665 ( -8.252 -1.006 6.019) 10.263 3.707 ( -6.526 1.552 6.910) 9.631 3.775 ( -8.070 -4.072 4.844) 10.256 3.822 ( -8.890 4.468 5.804) 11.520 3.881 ( -6.664 -1.238 4.118) 7.931 4.124 ( -0.642 4.089 -1.961) 4.580 4.213 ( -1.868 -4.015 -4.260) 6.145 4.307 ( 1.100 5.356 1.455) 5.658 4.350 ( 1.700 4.236 3.760) 5.914 4.393 ( -0.074 -0.611 -2.250) 2.332 4.451 ( 3.907 -2.534 4.594) 6.541 4.518 ( 5.272 -2.865 1.115) 6.104 4.528 ( 4.131 -2.458 3.472) 5.930 4.569 ( 3.119 1.177 9.712) 10.268 4.621 ( 2.767 -1.973 11.209) 11.713 4.709 ( 4.301 3.675 1.402) 5.828 4.800 ( 3.539 -3.344 2.141) 5.319 4.923 ( -0.194 4.743 -5.622) 7.357 5.020 ( -1.353 -2.758 -5.517) 6.314 5.092 ( 1.998 1.575 -2.654) 3.676 5.171 ( -0.004 -2.380 -3.723) 4.419 5.201 ( 1.293 2.194 -6.078) 6.590 5.256 ( -3.305 -4.518 -5.742) 8.020 5.354 ( 2.971 -0.408 -2.603) 3.971 5.368 ( 4.482 -0.962 -0.977) 4.687 5.422 ( -2.904 1.046 -0.724) 3.170 5.456 ( -4.805 -1.689 -1.498) 5.309 5.500 ( 1.905 2.429 2.852) 4.203 5.536 ( -2.314 -0.407 1.494) 2.785 5.583 ( -0.382 2.879 -2.695) 3.962 5.624 ( 0.800 0.098 -0.097) 0.812 5.646 ( -0.807 0.391 -2.455) 2.614 5.687 ( -0.219 -1.549 2.146) 2.656 5.722 ( -1.871 1.585 -0.408) 2.486 5.770 ( -2.427 -2.407 -0.605) 3.471 5.797 ( 1.681 1.070 1.368) 2.417 5.817 ( -1.635 0.532 0.258) 1.739 5.872 ( 1.464 1.032 -0.404) 1.836 5.888 ( -0.163 2.342 -0.713) 2.454 5.912 ( 2.409 -0.791 -2.341) 3.451 5.932 ( 1.147 -1.545 -0.769) 2.073 5.971 ( 1.310 0.295 0.021) 1.343 5.990 ( 1.473 -0.735 -0.681) 1.781 6.032 ( 0.053 2.703 -2.405) 3.619 6.090 ( 0.584 -2.541 -4.208) 4.951 6.305 ( -3.809 0.478 -2.607) 4.640 6.326 ( -3.289 -1.709 -3.020) 4.781 6.392 ( -1.780 1.114 -2.360) 3.159 6.406 ( -1.806 -0.352 -2.128) 2.813 6.848 ( -0.338 1.425 -0.298) 1.494 6.877 ( -1.393 -1.350 0.014) 1.940 6.962 ( 1.047 0.832 -1.626) 2.105 6.980 ( 1.285 -0.950 -1.917) 2.496 7.209 ( 1.981 0.236 1.230) 2.344 7.220 ( 2.126 -0.681 1.224) 2.546 7.279 ( -0.446 2.661 -2.605) 3.751 7.331 ( 0.075 -2.474 -4.694) 5.307 7.517 ( -3.256 1.251 3.009) 4.607 7.546 ( -3.480 -1.650 2.205) 4.438 7.579 ( -2.114 1.456 -5.129) 5.735 7.602 ( -1.689 -0.638 -4.231) 4.601 7.758 ( 0.704 0.738 -0.588) 1.177 7.773 ( 0.859 -0.720 -1.867) 2.177 7.916 ( 5.955 0.110 4.758) 7.623 7.919 ( 5.602 -0.189 4.979) 7.497 8.377 ( -0.633 0.732 1.839) 2.078 8.394 ( -0.435 -0.941 0.519) 1.159 8.425 ( 0.576 0.757 -1.308) 1.617 8.439 ( 0.834 -0.557 -1.751) 2.018 ======================= Grid point 78 (50/50) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -0.227 -1.671 20.403) 20.473 1.507 ( -3.713 -8.610 11.464) 14.810 1.816 ( 4.258 9.219 5.622) 11.607 1.884 ( 2.936 5.261 7.478) 9.603 1.899 ( 5.128 -1.653 -6.562) 8.491 2.013 ( 2.978 2.585 -1.884) 4.370 2.069 ( 2.647 -0.252 -2.070) 3.370 2.098 ( 3.700 2.042 2.931) 5.143 2.137 ( -1.881 -3.228 -4.202) 5.623 2.193 ( -1.057 3.980 0.328) 4.131 2.254 ( 5.699 -1.244 -4.189) 7.181 2.342 ( 9.325 0.268 -0.371) 9.336 2.399 ( -0.692 1.457 2.801) 3.233 2.446 ( 0.331 4.150 1.952) 4.598 2.464 ( 1.649 -7.275 -4.678) 8.805 2.478 ( 1.665 5.767 -8.290) 10.235 2.560 ( -2.861 -1.936 1.853) 3.920 2.574 ( 9.779 -5.032 -3.846) 11.651 2.628 ( 7.879 -0.511 -7.555) 10.928 2.685 ( 0.922 -3.702 0.611) 3.864 2.750 ( 0.847 1.206 -3.731) 4.012 2.770 ( 6.289 1.261 3.599) 7.355 2.789 ( 4.788 -1.036 -0.202) 4.903 2.833 ( 2.289 -2.105 3.671) 4.811 2.870 ( 2.675 1.537 6.144) 6.875 2.907 ( 7.387 0.776 0.595) 7.452 2.936 ( 5.960 -2.439 0.865) 6.498 2.966 ( -1.968 -5.470 6.926) 9.042 3.053 ( 4.608 4.998 1.578) 6.979 3.150 ( 2.000 -2.500 5.257) 6.156 3.185 ( -9.488 1.040 2.562) 9.883 3.198 ( -0.264 3.285 0.910) 3.419 3.253 ( -7.316 -5.055 -1.083) 8.958 3.282 ( -3.555 -3.107 -2.286) 5.246 3.379 ( -11.413 0.770 7.175) 13.503 3.395 ( -12.982 -0.536 7.985) 15.250 3.475 ( -1.074 4.331 -0.153) 4.465 3.548 ( -0.977 1.024 1.902) 2.371 3.586 ( -5.028 0.714 2.520) 5.669 3.631 ( 0.813 -4.562 -0.988) 4.738 3.705 ( 1.470 1.782 7.844) 8.177 3.715 ( 2.212 2.644 4.915) 6.003 3.734 ( -0.905 4.284 6.224) 7.610 3.861 ( 2.281 -3.865 4.799) 6.570 4.111 ( 0.744 1.537 -2.417) 2.959 4.158 ( -0.337 -3.591 -3.256) 4.859 4.332 ( -1.137 2.945 -0.769) 3.249 4.339 ( -0.301 1.326 -4.318) 4.527 4.475 ( 5.744 6.978 5.330) 10.492 4.567 ( 2.365 -2.204 1.539) 3.580 4.634 ( 5.770 0.067 6.529) 8.713 4.651 ( 2.978 0.285 7.514) 8.088 4.733 ( 2.791 0.896 5.985) 6.664 4.777 ( 4.439 -0.674 8.374) 9.502 4.801 ( 2.492 -3.893 3.205) 5.624 4.832 ( 0.954 -3.317 0.581) 3.500 4.920 ( 2.927 0.620 -1.277) 3.253 4.981 ( -0.793 -5.479 -4.795) 7.324 5.020 ( -2.417 2.958 0.942) 3.934 5.098 ( -1.110 -4.204 -1.422) 4.574 5.214 ( 0.702 2.840 -2.564) 3.890 5.237 ( -0.037 0.083 -1.643) 1.646 5.278 ( -6.359 3.486 -4.222) 8.392 5.315 ( -5.775 -0.475 -1.803) 6.068 5.428 ( 0.539 0.815 0.483) 1.090 5.456 ( -0.441 -1.833 0.092) 1.887 5.477 ( 1.374 1.802 -2.130) 3.110 5.522 ( 0.478 -1.564 -1.605) 2.291 5.556 ( 0.060 2.852 -3.582) 4.579 5.592 ( -1.479 2.670 -3.286) 4.485 5.609 ( -0.203 -1.128 -2.657) 2.893 5.637 ( -3.407 -0.912 -0.882) 3.635 5.706 ( 0.515 0.263 -0.550) 0.799 5.740 ( -0.692 -1.718 0.281) 1.873 5.788 ( -0.397 1.169 -2.351) 2.656 5.821 ( -1.735 -0.956 -1.467) 2.465 5.828 ( -1.573 2.063 -0.982) 2.774 5.880 ( -2.467 -2.207 -2.109) 3.925 5.921 ( 0.269 -0.099 -1.325) 1.356 5.933 ( -0.451 -1.473 -1.162) 1.930 5.996 ( 1.445 2.848 0.272) 3.206 6.039 ( 1.973 -1.154 -0.167) 2.291 6.066 ( 2.368 0.367 -0.213) 2.406 6.075 ( 1.647 -0.521 -1.883) 2.555 6.189 ( -4.080 1.205 -3.309) 5.390 6.224 ( -3.068 -2.398 -3.687) 5.362 6.324 ( -2.999 1.071 -2.702) 4.177 6.335 ( -2.664 -0.157 -3.443) 4.356 6.836 ( -0.949 0.330 -0.256) 1.037 6.840 ( -1.557 0.081 -0.187) 1.570 6.933 ( -1.935 -0.049 -3.066) 3.626 6.937 ( -1.519 -0.304 -3.089) 3.455 7.241 ( 0.599 0.808 -0.905) 1.353 7.269 ( 0.232 -1.736 -0.889) 1.964 7.287 ( 1.613 1.792 0.103) 2.413 7.313 ( 1.213 -0.763 -1.574) 2.129 7.475 ( -3.096 0.487 2.691) 4.131 7.487 ( -3.312 -0.679 1.362) 3.645 7.508 ( -0.647 1.498 -4.002) 4.322 7.537 ( -0.487 -1.217 -4.487) 4.674 7.784 ( 1.292 0.514 0.876) 1.643 7.794 ( 1.708 -0.470 -0.384) 1.813 8.055 ( 4.154 0.216 3.278) 5.297 8.061 ( 4.795 -0.383 2.651) 5.492 8.379 ( -0.617 0.354 1.365) 1.539 8.389 ( -0.136 -0.727 -0.124) 0.750 8.431 ( 0.701 0.865 -0.301) 1.153 8.446 ( 1.057 -0.614 -1.182) 1.700 =================== 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 3/15876 10.0 674.044 720.414 629.526 0.000 -152.248 0.000 3/15876 20.0 158.589 152.254 184.968 0.000 -13.827 0.000 3/15876 30.0 62.839 56.759 74.278 0.000 -5.076 0.000 3/15876 40.0 33.635 29.226 39.546 0.000 -2.747 0.000 3/15876 50.0 21.506 18.146 25.109 0.000 -1.763 0.000 3/15876 60.0 15.413 12.708 17.893 0.000 -1.256 0.000 3/15876 70.0 11.910 9.643 13.770 0.000 -0.958 0.000 3/15876 80.0 9.686 7.732 11.167 0.000 -0.767 0.000 3/15876 90.0 8.166 6.445 9.397 0.000 -0.636 0.000 3/15876 100.0 7.066 5.527 8.121 0.000 -0.541 0.000 3/15876 110.0 6.236 4.842 7.161 0.000 -0.470 0.000 3/15876 120.0 5.587 4.312 6.412 0.000 -0.415 0.000 3/15876 130.0 5.065 3.890 5.811 0.000 -0.372 0.000 3/15876 140.0 4.636 3.546 5.318 0.000 -0.336 0.000 3/15876 150.0 4.277 3.261 4.906 0.000 -0.307 0.000 3/15876 160.0 3.972 3.019 4.555 0.000 -0.282 0.000 3/15876 170.0 3.709 2.812 4.254 0.000 -0.262 0.000 3/15876 180.0 3.480 2.633 3.992 0.000 -0.244 0.000 3/15876 190.0 3.279 2.476 3.761 0.000 -0.228 0.000 3/15876 200.0 3.101 2.337 3.556 0.000 -0.214 0.000 3/15876 210.0 2.941 2.214 3.374 0.000 -0.202 0.000 3/15876 220.0 2.798 2.104 3.210 0.000 -0.191 0.000 3/15876 230.0 2.668 2.004 3.061 0.000 -0.182 0.000 3/15876 240.0 2.551 1.913 2.926 0.000 -0.173 0.000 3/15876 250.0 2.443 1.831 2.803 0.000 -0.165 0.000 3/15876 260.0 2.344 1.756 2.690 0.000 -0.158 0.000 3/15876 270.0 2.254 1.686 2.586 0.000 -0.151 0.000 3/15876 280.0 2.170 1.623 2.490 0.000 -0.145 0.000 3/15876 290.0 2.092 1.564 2.401 0.000 -0.140 0.000 3/15876 300.0 2.020 1.509 2.318 0.000 -0.134 0.000 3/15876 310.0 1.952 1.458 2.241 0.000 -0.130 0.000 3/15876 320.0 1.890 1.410 2.169 0.000 -0.125 0.000 3/15876 330.0 1.831 1.366 2.102 0.000 -0.121 0.000 3/15876 340.0 1.775 1.324 2.038 0.000 -0.117 0.000 3/15876 350.0 1.723 1.285 1.979 0.000 -0.114 0.000 3/15876 360.0 1.674 1.248 1.923 0.000 -0.110 0.000 3/15876 370.0 1.628 1.213 1.870 0.000 -0.107 0.000 3/15876 380.0 1.584 1.180 1.819 0.000 -0.104 0.000 3/15876 390.0 1.543 1.149 1.772 0.000 -0.101 0.000 3/15876 400.0 1.504 1.119 1.727 0.000 -0.098 0.000 3/15876 410.0 1.466 1.091 1.684 0.000 -0.096 0.000 3/15876 420.0 1.431 1.065 1.644 0.000 -0.093 0.000 3/15876 430.0 1.397 1.039 1.605 0.000 -0.091 0.000 3/15876 440.0 1.365 1.015 1.568 0.000 -0.089 0.000 3/15876 450.0 1.334 0.992 1.533 0.000 -0.087 0.000 3/15876 460.0 1.305 0.970 1.499 0.000 -0.085 0.000 3/15876 470.0 1.277 0.949 1.467 0.000 -0.083 0.000 3/15876 480.0 1.250 0.929 1.436 0.000 -0.081 0.000 3/15876 490.0 1.224 0.909 1.406 0.000 -0.079 0.000 3/15876 500.0 1.199 0.891 1.378 0.000 -0.078 0.000 3/15876 510.0 1.176 0.873 1.351 0.000 -0.076 0.000 3/15876 520.0 1.153 0.856 1.325 0.000 -0.075 0.000 3/15876 530.0 1.131 0.840 1.299 0.000 -0.073 0.000 3/15876 540.0 1.110 0.824 1.275 0.000 -0.072 0.000 3/15876 550.0 1.089 0.809 1.252 0.000 -0.070 0.000 3/15876 560.0 1.070 0.794 1.229 0.000 -0.069 0.000 3/15876 570.0 1.051 0.780 1.208 0.000 -0.068 0.000 3/15876 580.0 1.033 0.766 1.187 0.000 -0.067 0.000 3/15876 590.0 1.015 0.753 1.166 0.000 -0.065 0.000 3/15876 600.0 0.998 0.741 1.147 0.000 -0.064 0.000 3/15876 610.0 0.982 0.728 1.128 0.000 -0.063 0.000 3/15876 620.0 0.966 0.716 1.110 0.000 -0.062 0.000 3/15876 630.0 0.950 0.705 1.092 0.000 -0.061 0.000 3/15876 640.0 0.935 0.694 1.075 0.000 -0.060 0.000 3/15876 650.0 0.921 0.683 1.058 0.000 -0.059 0.000 3/15876 660.0 0.907 0.673 1.042 0.000 -0.058 0.000 3/15876 670.0 0.893 0.663 1.027 0.000 -0.057 0.000 3/15876 680.0 0.880 0.653 1.012 0.000 -0.057 0.000 3/15876 690.0 0.867 0.643 0.997 0.000 -0.056 0.000 3/15876 700.0 0.855 0.634 0.983 0.000 -0.055 0.000 3/15876 710.0 0.843 0.625 0.969 0.000 -0.054 0.000 3/15876 720.0 0.831 0.616 0.955 0.000 -0.053 0.000 3/15876 730.0 0.820 0.608 0.942 0.000 -0.053 0.000 3/15876 740.0 0.808 0.599 0.929 0.000 -0.052 0.000 3/15876 750.0 0.798 0.591 0.917 0.000 -0.051 0.000 3/15876 760.0 0.787 0.584 0.905 0.000 -0.050 0.000 3/15876 770.0 0.777 0.576 0.893 0.000 -0.050 0.000 3/15876 780.0 0.767 0.568 0.882 0.000 -0.049 0.000 3/15876 790.0 0.757 0.561 0.870 0.000 -0.049 0.000 3/15876 800.0 0.748 0.554 0.860 0.000 -0.048 0.000 3/15876 810.0 0.738 0.547 0.849 0.000 -0.047 0.000 3/15876 820.0 0.729 0.541 0.839 0.000 -0.047 0.000 3/15876 830.0 0.721 0.534 0.828 0.000 -0.046 0.000 3/15876 840.0 0.712 0.528 0.819 0.000 -0.046 0.000 3/15876 850.0 0.704 0.521 0.809 0.000 -0.045 0.000 3/15876 860.0 0.695 0.515 0.800 0.000 -0.044 0.000 3/15876 870.0 0.687 0.509 0.790 0.000 -0.044 0.000 3/15876 880.0 0.680 0.504 0.781 0.000 -0.043 0.000 3/15876 890.0 0.672 0.498 0.773 0.000 -0.043 0.000 3/15876 900.0 0.664 0.492 0.764 0.000 -0.042 0.000 3/15876 910.0 0.657 0.487 0.756 0.000 -0.042 0.000 3/15876 920.0 0.650 0.482 0.747 0.000 -0.042 0.000 3/15876 930.0 0.643 0.476 0.739 0.000 -0.041 0.000 3/15876 940.0 0.636 0.471 0.731 0.000 -0.041 0.000 3/15876 950.0 0.629 0.466 0.724 0.000 -0.040 0.000 3/15876 960.0 0.623 0.461 0.716 0.000 -0.040 0.000 3/15876 970.0 0.616 0.457 0.709 0.000 -0.039 0.000 3/15876 980.0 0.610 0.452 0.702 0.000 -0.039 0.000 3/15876 990.0 0.604 0.447 0.695 0.000 -0.039 0.000 3/15876 1000.0 0.598 0.443 0.688 0.000 -0.038 0.000 3/15876 Thermal conductivity related properties were written into "kappa-m737.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:50:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|