----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:04:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.871046781041574 0.000000000000000 0.000000000000000 b 0.000000000000000 3.913976680000000 0.000000000000000 c -0.839568877544785 0.000000000000000 14.721829476167558 Atomic positions (fractional): *1 In 0.33967984452663 0.75000000000000 0.55305725441254 114.818 2 In 0.66032015547337 0.25000000000000 0.44694274558746 114.818 *3 In 0.86100612184191 0.75000000000000 0.93949524983258 114.818 4 In 0.13899387815809 0.25000000000000 0.06050475016742 114.818 *5 In 0.03379625006393 0.25000000000000 0.64178132882114 114.818 6 In 0.96620374993607 0.75000000000000 0.35821867117886 114.818 *7 In 0.75626410576515 0.25000000000000 0.71393606296375 114.818 8 In 0.24373589423485 0.75000000000000 0.28606393703625 114.818 *9 In 0.36753392843525 0.25000000000000 0.83717923301668 114.818 10 In 0.63246607156475 0.75000000000000 0.16282076698332 114.818 *11 Cl 0.67108809401978 0.25000000000000 0.00140846951377 35.453 12 Cl 0.32891190598022 0.75000000000000 0.99859153048623 35.453 *13 S 0.52765352173462 0.25000000000000 0.60182070362808 32.065 14 S 0.47234647826538 0.75000000000000 0.39817929637192 32.065 *15 S 0.16322712734770 0.25000000000000 0.49381100534145 32.065 16 S 0.83677287265230 0.75000000000000 0.50618899465855 32.065 *17 S 0.66763083694849 0.75000000000000 0.80608529585728 32.065 18 S 0.33236916305151 0.25000000000000 0.19391470414272 32.065 *19 S 0.02986472415589 0.25000000000000 0.89532208350014 32.065 20 S 0.97013527584411 0.75000000000000 0.10467791649986 32.065 *21 S 0.20003457315836 0.75000000000000 0.70319477559586 32.065 22 S 0.79996542684164 0.25000000000000 0.29680522440414 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.871046781041574 0.000000000000000 0.000000000000000 b 0.000000000000000 3.913976680000000 0.000000000000000 c -0.839568877544785 0.000000000000000 14.721829476167558 Atomic positions (fractional): *1 In 0.33967984452663 0.75000000000000 0.55305725441254 114.818 > 1 2 In 0.66032015547337 0.25000000000000 0.44694274558746 114.818 > 2 *3 In 0.86100612184191 0.75000000000000 0.93949524983258 114.818 > 3 4 In 0.13899387815809 0.25000000000000 0.06050475016742 114.818 > 4 *5 In 0.03379625006393 0.25000000000000 0.64178132882114 114.818 > 5 6 In 0.96620374993607 0.75000000000000 0.35821867117886 114.818 > 6 *7 In 0.75626410576515 0.25000000000000 0.71393606296375 114.818 > 7 8 In 0.24373589423485 0.75000000000000 0.28606393703625 114.818 > 8 *9 In 0.36753392843525 0.25000000000000 0.83717923301668 114.818 > 9 10 In 0.63246607156475 0.75000000000000 0.16282076698332 114.818 > 10 *11 Cl 0.67108809401978 0.25000000000000 0.00140846951377 35.453 > 11 12 Cl 0.32891190598022 0.75000000000000 0.99859153048623 35.453 > 12 *13 S 0.52765352173462 0.25000000000000 0.60182070362808 32.065 > 13 14 S 0.47234647826538 0.75000000000000 0.39817929637192 32.065 > 14 *15 S 0.16322712734770 0.25000000000000 0.49381100534145 32.065 > 15 16 S 0.83677287265230 0.75000000000000 0.50618899465855 32.065 > 16 *17 S 0.66763083694849 0.75000000000000 0.80608529585728 32.065 > 17 18 S 0.33236916305151 0.25000000000000 0.19391470414272 32.065 > 18 *19 S 0.02986472415589 0.25000000000000 0.89532208350014 32.065 > 19 20 S 0.97013527584411 0.75000000000000 0.10467791649986 32.065 > 20 *21 S 0.20003457315836 0.75000000000000 0.70319477559586 32.065 > 21 22 S 0.79996542684164 0.25000000000000 0.29680522440414 32.065 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.742093562083149 0.000000000000000 0.000000000000000 b 0.000000000000000 11.741930040000000 0.000000000000000 c -0.839568877544785 0.000000000000000 14.721829476167558 Atomic positions (fractional): *1 In 0.16983992226331 0.25000000000000 0.55305725441254 114.818 > 1 2 In 0.66983992226331 0.25000000000000 0.55305725441254 114.818 > 1 3 In 0.16983992226331 0.58333333333333 0.55305725441254 114.818 > 1 4 In 0.66983992226331 0.58333333333333 0.55305725441254 114.818 > 1 5 In 0.16983992226331 0.91666666666667 0.55305725441254 114.818 > 1 6 In 0.66983992226331 0.91666666666667 0.55305725441254 114.818 > 1 7 In 0.33016007773669 0.08333333333333 0.44694274558746 114.818 > 2 8 In 0.83016007773669 0.08333333333333 0.44694274558746 114.818 > 2 9 In 0.33016007773669 0.41666666666667 0.44694274558746 114.818 > 2 10 In 0.83016007773669 0.41666666666667 0.44694274558746 114.818 > 2 11 In 0.33016007773669 0.75000000000000 0.44694274558746 114.818 > 2 12 In 0.83016007773669 0.75000000000000 0.44694274558746 114.818 > 2 *13 In 0.43050306092095 0.25000000000000 0.93949524983258 114.818 > 3 14 In 0.93050306092095 0.25000000000000 0.93949524983258 114.818 > 3 15 In 0.43050306092095 0.58333333333333 0.93949524983258 114.818 > 3 16 In 0.93050306092095 0.58333333333333 0.93949524983258 114.818 > 3 17 In 0.43050306092095 0.91666666666667 0.93949524983258 114.818 > 3 18 In 0.93050306092095 0.91666666666667 0.93949524983258 114.818 > 3 19 In 0.06949693907905 0.08333333333333 0.06050475016742 114.818 > 4 20 In 0.56949693907905 0.08333333333333 0.06050475016742 114.818 > 4 21 In 0.06949693907905 0.41666666666667 0.06050475016742 114.818 > 4 22 In 0.56949693907905 0.41666666666667 0.06050475016742 114.818 > 4 23 In 0.06949693907905 0.75000000000000 0.06050475016742 114.818 > 4 24 In 0.56949693907905 0.75000000000000 0.06050475016742 114.818 > 4 *25 In 0.01689812503196 0.08333333333333 0.64178132882114 114.818 > 5 26 In 0.51689812503196 0.08333333333333 0.64178132882114 114.818 > 5 27 In 0.01689812503196 0.41666666666667 0.64178132882114 114.818 > 5 28 In 0.51689812503196 0.41666666666667 0.64178132882114 114.818 > 5 29 In 0.01689812503196 0.75000000000000 0.64178132882114 114.818 > 5 30 In 0.51689812503196 0.75000000000000 0.64178132882114 114.818 > 5 31 In 0.48310187496804 0.25000000000000 0.35821867117886 114.818 > 6 32 In 0.98310187496804 0.25000000000000 0.35821867117886 114.818 > 6 33 In 0.48310187496804 0.58333333333333 0.35821867117886 114.818 > 6 34 In 0.98310187496804 0.58333333333333 0.35821867117886 114.818 > 6 35 In 0.48310187496804 0.91666666666667 0.35821867117886 114.818 > 6 36 In 0.98310187496804 0.91666666666667 0.35821867117886 114.818 > 6 *37 In 0.37813205288257 0.08333333333333 0.71393606296375 114.818 > 7 38 In 0.87813205288257 0.08333333333333 0.71393606296375 114.818 > 7 39 In 0.37813205288257 0.41666666666667 0.71393606296375 114.818 > 7 40 In 0.87813205288257 0.41666666666667 0.71393606296375 114.818 > 7 41 In 0.37813205288257 0.75000000000000 0.71393606296375 114.818 > 7 42 In 0.87813205288257 0.75000000000000 0.71393606296375 114.818 > 7 43 In 0.12186794711743 0.25000000000000 0.28606393703625 114.818 > 8 44 In 0.62186794711743 0.25000000000000 0.28606393703625 114.818 > 8 45 In 0.12186794711743 0.58333333333333 0.28606393703625 114.818 > 8 46 In 0.62186794711743 0.58333333333333 0.28606393703625 114.818 > 8 47 In 0.12186794711743 0.91666666666667 0.28606393703625 114.818 > 8 48 In 0.62186794711743 0.91666666666667 0.28606393703625 114.818 > 8 *49 In 0.18376696421762 0.08333333333333 0.83717923301668 114.818 > 9 50 In 0.68376696421762 0.08333333333333 0.83717923301668 114.818 > 9 51 In 0.18376696421762 0.41666666666667 0.83717923301668 114.818 > 9 52 In 0.68376696421762 0.41666666666667 0.83717923301668 114.818 > 9 53 In 0.18376696421762 0.75000000000000 0.83717923301668 114.818 > 9 54 In 0.68376696421762 0.75000000000000 0.83717923301668 114.818 > 9 55 In 0.31623303578238 0.25000000000000 0.16282076698332 114.818 > 10 56 In 0.81623303578238 0.25000000000000 0.16282076698332 114.818 > 10 57 In 0.31623303578238 0.58333333333333 0.16282076698332 114.818 > 10 58 In 0.81623303578238 0.58333333333333 0.16282076698332 114.818 > 10 59 In 0.31623303578238 0.91666666666667 0.16282076698332 114.818 > 10 60 In 0.81623303578238 0.91666666666667 0.16282076698332 114.818 > 10 *61 Cl 0.33554404700989 0.08333333333333 0.00140846951377 35.453 > 11 62 Cl 0.83554404700989 0.08333333333333 0.00140846951377 35.453 > 11 63 Cl 0.33554404700989 0.41666666666667 0.00140846951377 35.453 > 11 64 Cl 0.83554404700989 0.41666666666667 0.00140846951377 35.453 > 11 65 Cl 0.33554404700989 0.75000000000000 0.00140846951377 35.453 > 11 66 Cl 0.83554404700989 0.75000000000000 0.00140846951377 35.453 > 11 67 Cl 0.16445595299011 0.25000000000000 0.99859153048623 35.453 > 12 68 Cl 0.66445595299011 0.25000000000000 0.99859153048623 35.453 > 12 69 Cl 0.16445595299011 0.58333333333333 0.99859153048623 35.453 > 12 70 Cl 0.66445595299011 0.58333333333333 0.99859153048623 35.453 > 12 71 Cl 0.16445595299011 0.91666666666667 0.99859153048623 35.453 > 12 72 Cl 0.66445595299011 0.91666666666667 0.99859153048623 35.453 > 12 *73 S 0.26382676086731 0.08333333333333 0.60182070362808 32.065 > 13 74 S 0.76382676086731 0.08333333333333 0.60182070362808 32.065 > 13 75 S 0.26382676086731 0.41666666666667 0.60182070362808 32.065 > 13 76 S 0.76382676086731 0.41666666666667 0.60182070362808 32.065 > 13 77 S 0.26382676086731 0.75000000000000 0.60182070362808 32.065 > 13 78 S 0.76382676086731 0.75000000000000 0.60182070362808 32.065 > 13 79 S 0.23617323913269 0.25000000000000 0.39817929637192 32.065 > 14 80 S 0.73617323913269 0.25000000000000 0.39817929637192 32.065 > 14 81 S 0.23617323913269 0.58333333333333 0.39817929637192 32.065 > 14 82 S 0.73617323913269 0.58333333333333 0.39817929637192 32.065 > 14 83 S 0.23617323913269 0.91666666666667 0.39817929637192 32.065 > 14 84 S 0.73617323913269 0.91666666666667 0.39817929637192 32.065 > 14 *85 S 0.08161356367385 0.08333333333333 0.49381100534145 32.065 > 15 86 S 0.58161356367385 0.08333333333333 0.49381100534145 32.065 > 15 87 S 0.08161356367385 0.41666666666667 0.49381100534145 32.065 > 15 88 S 0.58161356367385 0.41666666666667 0.49381100534145 32.065 > 15 89 S 0.08161356367385 0.75000000000000 0.49381100534145 32.065 > 15 90 S 0.58161356367385 0.75000000000000 0.49381100534145 32.065 > 15 91 S 0.41838643632615 0.25000000000000 0.50618899465855 32.065 > 16 92 S 0.91838643632615 0.25000000000000 0.50618899465855 32.065 > 16 93 S 0.41838643632615 0.58333333333333 0.50618899465855 32.065 > 16 94 S 0.91838643632615 0.58333333333333 0.50618899465855 32.065 > 16 95 S 0.41838643632615 0.91666666666667 0.50618899465855 32.065 > 16 96 S 0.91838643632615 0.91666666666667 0.50618899465855 32.065 > 16 *97 S 0.33381541847424 0.25000000000000 0.80608529585728 32.065 > 17 98 S 0.83381541847424 0.25000000000000 0.80608529585728 32.065 > 17 99 S 0.33381541847424 0.58333333333333 0.80608529585728 32.065 > 17 100 S 0.83381541847424 0.58333333333333 0.80608529585728 32.065 > 17 101 S 0.33381541847424 0.91666666666667 0.80608529585728 32.065 > 17 102 S 0.83381541847424 0.91666666666667 0.80608529585728 32.065 > 17 103 S 0.16618458152576 0.08333333333333 0.19391470414272 32.065 > 18 104 S 0.66618458152576 0.08333333333333 0.19391470414272 32.065 > 18 105 S 0.16618458152576 0.41666666666667 0.19391470414272 32.065 > 18 106 S 0.66618458152576 0.41666666666667 0.19391470414272 32.065 > 18 107 S 0.16618458152576 0.75000000000000 0.19391470414272 32.065 > 18 108 S 0.66618458152576 0.75000000000000 0.19391470414272 32.065 > 18 *109 S 0.01493236207795 0.08333333333333 0.89532208350014 32.065 > 19 110 S 0.51493236207795 0.08333333333333 0.89532208350014 32.065 > 19 111 S 0.01493236207795 0.41666666666667 0.89532208350014 32.065 > 19 112 S 0.51493236207795 0.41666666666667 0.89532208350014 32.065 > 19 113 S 0.01493236207795 0.75000000000000 0.89532208350014 32.065 > 19 114 S 0.51493236207795 0.75000000000000 0.89532208350014 32.065 > 19 115 S 0.48506763792205 0.25000000000000 0.10467791649986 32.065 > 20 116 S 0.98506763792205 0.25000000000000 0.10467791649986 32.065 > 20 117 S 0.48506763792205 0.58333333333333 0.10467791649986 32.065 > 20 118 S 0.98506763792205 0.58333333333333 0.10467791649986 32.065 > 20 119 S 0.48506763792205 0.91666666666667 0.10467791649986 32.065 > 20 120 S 0.98506763792205 0.91666666666667 0.10467791649986 32.065 > 20 *121 S 0.10001728657918 0.25000000000000 0.70319477559586 32.065 > 21 122 S 0.60001728657918 0.25000000000000 0.70319477559586 32.065 > 21 123 S 0.10001728657918 0.58333333333333 0.70319477559586 32.065 > 21 124 S 0.60001728657918 0.58333333333333 0.70319477559586 32.065 > 21 125 S 0.10001728657918 0.91666666666667 0.70319477559586 32.065 > 21 126 S 0.60001728657918 0.91666666666667 0.70319477559586 32.065 > 21 127 S 0.39998271342082 0.08333333333333 0.29680522440414 32.065 > 22 128 S 0.89998271342082 0.08333333333333 0.29680522440414 32.065 > 22 129 S 0.39998271342082 0.41666666666667 0.29680522440414 32.065 > 22 130 S 0.89998271342082 0.41666666666667 0.29680522440414 32.065 > 22 131 S 0.39998271342082 0.75000000000000 0.29680522440414 32.065 > 22 132 S 0.89998271342082 0.75000000000000 0.29680522440414 32.065 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.2426927 0.0000000 0.1033128 0.0000000 8.6694440 0.0000000 0.1033403 0.0000000 8.0203991 -------------------------- Born effective charges -------------------------- 1 In 3.9604956 0.0000000 -0.3799452 0.0000000 4.1585347 0.0000000 -0.3766307 0.0000000 2.6034936 2 In 3.9604956 0.0000000 -0.3799452 0.0000000 4.1585347 0.0000000 -0.3766307 0.0000000 2.6034936 3 In 2.7486919 0.0000000 0.5004551 0.0000000 3.8225316 0.0000000 0.4696732 0.0000000 3.6861315 4 In 2.7486919 0.0000000 0.5004551 0.0000000 3.8225316 0.0000000 0.4696732 0.0000000 3.6861315 5 In 2.8891040 0.0000000 -0.0896913 0.0000000 3.2549696 0.0000000 0.1455872 0.0000000 2.3675483 6 In 2.8891040 0.0000000 -0.0896913 0.0000000 3.2549696 0.0000000 0.1455872 0.0000000 2.3675483 7 In 2.3376534 0.0000000 0.3382515 0.0000000 2.6263474 0.0000000 0.1704726 0.0000000 2.6427555 8 In 2.3376534 0.0000000 0.3382515 0.0000000 2.6263474 0.0000000 0.1704726 0.0000000 2.6427555 9 In 2.6816503 0.0000000 0.1879958 0.0000000 2.2287993 0.0000000 -0.0320171 0.0000000 2.6336981 10 In 2.6816503 0.0000000 0.1879958 0.0000000 2.2287993 0.0000000 -0.0320171 0.0000000 2.6336981 11 Cl -1.6243583 0.0000000 0.2732425 0.0000000 -2.2097926 0.0000000 0.5192967 0.0000000 -2.3603425 12 Cl -1.6243583 0.0000000 0.2732425 0.0000000 -2.2097926 0.0000000 0.5192967 0.0000000 -2.3603425 13 S -3.2300714 0.0000000 -0.5778951 0.0000000 -2.1976410 0.0000000 -0.4143009 0.0000000 -2.2625423 14 S -3.2300714 0.0000000 -0.5778951 0.0000000 -2.1976410 0.0000000 -0.4143009 0.0000000 -2.2625423 15 S -2.5124750 0.0000000 0.0077942 0.0000000 -3.0344211 0.0000000 -0.0526898 0.0000000 -2.5085451 16 S -2.5124750 0.0000000 0.0077942 0.0000000 -3.0344211 0.0000000 -0.0526898 0.0000000 -2.5085451 17 S -2.2931464 0.0000000 0.0314249 0.0000000 -2.9337855 0.0000000 0.0845169 0.0000000 -2.3750052 18 S -2.2931464 0.0000000 0.0314249 0.0000000 -2.9337855 0.0000000 0.0845169 0.0000000 -2.3750052 19 S -2.1224884 0.0000000 -0.1491249 0.0000000 -2.3196591 0.0000000 -0.1398797 0.0000000 -2.3406920 20 S -2.1224884 0.0000000 -0.1491249 0.0000000 -2.3196591 0.0000000 -0.1398797 0.0000000 -2.3406920 21 S -2.8350557 0.0000000 -0.1425074 0.0000000 -3.3958834 0.0000000 -0.3740285 0.0000000 -2.0864999 22 S -2.8350557 0.0000000 -0.1425074 0.0000000 -3.3958834 0.0000000 -0.3740285 0.0000000 -2.0864999 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 13530/13530 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3520 Number of blocks in projector: 3520 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 447 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 484 Use standard eigh solver. Tree of FC basis block matrices: - (3520, 3466), data: False |-- (484, 484), data: True |-- (484, 484), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 21), data: (968, 42) @ (42, 21) |-- (468, 447), data: True |-- (500, 479), data: False |-- (500, 20), data: (500, 41) @ (41, 20) |-- (250, 230), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.039 Solver_block: 200 / 720 - Time: 0.964 Solver_block: 300 / 720 - Time: 0.958 Solver_block: 400 / 720 - Time: 0.957 Solver_block: 500 / 720 - Time: 0.963 Solver_block: 600 / 720 - Time: 0.951 Solver_block: 700 / 720 - Time: 0.965 Solver_block: 720 / 720 - Time: 0.322 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.281 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 13530/13530 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3520 Number of blocks in projector: 3520 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 447 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 484 Use standard eigh solver. Tree of FC basis block matrices: - (3520, 3466), data: False |-- (484, 484), data: True |-- (484, 484), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 21), data: (968, 42) @ (42, 21) |-- (468, 447), data: True |-- (500, 479), data: False |-- (500, 20), data: (500, 41) @ (41, 20) |-- (250, 230), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:04:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:04:47]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.871046781041574 0.000000000000000 0.000000000000000 b 0.000000000000000 3.913976680000000 0.000000000000000 c -0.839568877544785 0.000000000000000 14.721829476167558 Atomic positions (fractional): 1 In 0.33967984452663 0.75000000000000 0.55305725441254 114.818 2 In 0.66032015547337 0.25000000000000 0.44694274558746 114.818 3 In 0.86100612184191 0.75000000000000 0.93949524983258 114.818 4 In 0.13899387815809 0.25000000000000 0.06050475016742 114.818 5 In 0.03379625006393 0.25000000000000 0.64178132882114 114.818 6 In 0.96620374993607 0.75000000000000 0.35821867117886 114.818 7 In 0.75626410576515 0.25000000000000 0.71393606296375 114.818 8 In 0.24373589423485 0.75000000000000 0.28606393703625 114.818 9 In 0.36753392843525 0.25000000000000 0.83717923301668 114.818 10 In 0.63246607156475 0.75000000000000 0.16282076698332 114.818 11 Cl 0.67108809401978 0.25000000000000 0.00140846951377 35.453 12 Cl 0.32891190598022 0.75000000000000 0.99859153048623 35.453 13 S 0.52765352173462 0.25000000000000 0.60182070362808 32.065 14 S 0.47234647826538 0.75000000000000 0.39817929637192 32.065 15 S 0.16322712734770 0.25000000000000 0.49381100534145 32.065 16 S 0.83677287265230 0.75000000000000 0.50618899465855 32.065 17 S 0.66763083694849 0.75000000000000 0.80608529585728 32.065 18 S 0.33236916305151 0.25000000000000 0.19391470414272 32.065 19 S 0.02986472415589 0.25000000000000 0.89532208350014 32.065 20 S 0.97013527584411 0.75000000000000 0.10467791649986 32.065 21 S 0.20003457315836 0.75000000000000 0.70319477559586 32.065 22 S 0.79996542684164 0.25000000000000 0.29680522440414 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.742093562083149 0.000000000000000 0.000000000000000 b 0.000000000000000 11.741930040000000 0.000000000000000 c -0.839568877544785 0.000000000000000 14.721829476167558 Atomic positions (fractional): 1 In 0.16983992226331 0.25000000000000 0.55305725441254 114.818 > 1 2 In 0.66983992226331 0.25000000000000 0.55305725441254 114.818 > 1 3 In 0.16983992226331 0.58333333333333 0.55305725441254 114.818 > 1 4 In 0.66983992226331 0.58333333333333 0.55305725441254 114.818 > 1 5 In 0.16983992226331 0.91666666666667 0.55305725441254 114.818 > 1 6 In 0.66983992226331 0.91666666666667 0.55305725441254 114.818 > 1 7 In 0.33016007773669 0.08333333333333 0.44694274558746 114.818 > 7 8 In 0.83016007773669 0.08333333333333 0.44694274558746 114.818 > 7 9 In 0.33016007773669 0.41666666666667 0.44694274558746 114.818 > 7 10 In 0.83016007773669 0.41666666666667 0.44694274558746 114.818 > 7 11 In 0.33016007773669 0.75000000000000 0.44694274558746 114.818 > 7 12 In 0.83016007773669 0.75000000000000 0.44694274558746 114.818 > 7 13 In 0.43050306092095 0.25000000000000 0.93949524983258 114.818 > 13 14 In 0.93050306092095 0.25000000000000 0.93949524983258 114.818 > 13 15 In 0.43050306092095 0.58333333333333 0.93949524983258 114.818 > 13 16 In 0.93050306092095 0.58333333333333 0.93949524983258 114.818 > 13 17 In 0.43050306092095 0.91666666666667 0.93949524983258 114.818 > 13 18 In 0.93050306092095 0.91666666666667 0.93949524983258 114.818 > 13 19 In 0.06949693907905 0.08333333333333 0.06050475016742 114.818 > 19 20 In 0.56949693907905 0.08333333333333 0.06050475016742 114.818 > 19 21 In 0.06949693907905 0.41666666666667 0.06050475016742 114.818 > 19 22 In 0.56949693907905 0.41666666666667 0.06050475016742 114.818 > 19 23 In 0.06949693907905 0.75000000000000 0.06050475016742 114.818 > 19 24 In 0.56949693907905 0.75000000000000 0.06050475016742 114.818 > 19 25 In 0.01689812503196 0.08333333333333 0.64178132882114 114.818 > 25 26 In 0.51689812503196 0.08333333333333 0.64178132882114 114.818 > 25 27 In 0.01689812503196 0.41666666666667 0.64178132882114 114.818 > 25 28 In 0.51689812503196 0.41666666666667 0.64178132882114 114.818 > 25 29 In 0.01689812503196 0.75000000000000 0.64178132882114 114.818 > 25 30 In 0.51689812503196 0.75000000000000 0.64178132882114 114.818 > 25 31 In 0.48310187496804 0.25000000000000 0.35821867117886 114.818 > 31 32 In 0.98310187496804 0.25000000000000 0.35821867117886 114.818 > 31 33 In 0.48310187496804 0.58333333333333 0.35821867117886 114.818 > 31 34 In 0.98310187496804 0.58333333333333 0.35821867117886 114.818 > 31 35 In 0.48310187496804 0.91666666666667 0.35821867117886 114.818 > 31 36 In 0.98310187496804 0.91666666666667 0.35821867117886 114.818 > 31 37 In 0.37813205288257 0.08333333333333 0.71393606296375 114.818 > 37 38 In 0.87813205288257 0.08333333333333 0.71393606296375 114.818 > 37 39 In 0.37813205288257 0.41666666666667 0.71393606296375 114.818 > 37 40 In 0.87813205288257 0.41666666666667 0.71393606296375 114.818 > 37 41 In 0.37813205288257 0.75000000000000 0.71393606296375 114.818 > 37 42 In 0.87813205288257 0.75000000000000 0.71393606296375 114.818 > 37 43 In 0.12186794711743 0.25000000000000 0.28606393703625 114.818 > 43 44 In 0.62186794711743 0.25000000000000 0.28606393703625 114.818 > 43 45 In 0.12186794711743 0.58333333333333 0.28606393703625 114.818 > 43 46 In 0.62186794711743 0.58333333333333 0.28606393703625 114.818 > 43 47 In 0.12186794711743 0.91666666666667 0.28606393703625 114.818 > 43 48 In 0.62186794711743 0.91666666666667 0.28606393703625 114.818 > 43 49 In 0.18376696421762 0.08333333333333 0.83717923301668 114.818 > 49 50 In 0.68376696421762 0.08333333333333 0.83717923301668 114.818 > 49 51 In 0.18376696421762 0.41666666666667 0.83717923301668 114.818 > 49 52 In 0.68376696421762 0.41666666666667 0.83717923301668 114.818 > 49 53 In 0.18376696421762 0.75000000000000 0.83717923301668 114.818 > 49 54 In 0.68376696421762 0.75000000000000 0.83717923301668 114.818 > 49 55 In 0.31623303578238 0.25000000000000 0.16282076698332 114.818 > 55 56 In 0.81623303578238 0.25000000000000 0.16282076698332 114.818 > 55 57 In 0.31623303578238 0.58333333333333 0.16282076698332 114.818 > 55 58 In 0.81623303578238 0.58333333333333 0.16282076698332 114.818 > 55 59 In 0.31623303578238 0.91666666666667 0.16282076698332 114.818 > 55 60 In 0.81623303578238 0.91666666666667 0.16282076698332 114.818 > 55 61 Cl 0.33554404700989 0.08333333333333 0.00140846951377 35.453 > 61 62 Cl 0.83554404700989 0.08333333333333 0.00140846951377 35.453 > 61 63 Cl 0.33554404700989 0.41666666666667 0.00140846951377 35.453 > 61 64 Cl 0.83554404700989 0.41666666666667 0.00140846951377 35.453 > 61 65 Cl 0.33554404700989 0.75000000000000 0.00140846951377 35.453 > 61 66 Cl 0.83554404700989 0.75000000000000 0.00140846951377 35.453 > 61 67 Cl 0.16445595299011 0.25000000000000 0.99859153048623 35.453 > 67 68 Cl 0.66445595299011 0.25000000000000 0.99859153048623 35.453 > 67 69 Cl 0.16445595299011 0.58333333333333 0.99859153048623 35.453 > 67 70 Cl 0.66445595299011 0.58333333333333 0.99859153048623 35.453 > 67 71 Cl 0.16445595299011 0.91666666666667 0.99859153048623 35.453 > 67 72 Cl 0.66445595299011 0.91666666666667 0.99859153048623 35.453 > 67 73 S 0.26382676086731 0.08333333333333 0.60182070362808 32.065 > 73 74 S 0.76382676086731 0.08333333333333 0.60182070362808 32.065 > 73 75 S 0.26382676086731 0.41666666666667 0.60182070362808 32.065 > 73 76 S 0.76382676086731 0.41666666666667 0.60182070362808 32.065 > 73 77 S 0.26382676086731 0.75000000000000 0.60182070362808 32.065 > 73 78 S 0.76382676086731 0.75000000000000 0.60182070362808 32.065 > 73 79 S 0.23617323913269 0.25000000000000 0.39817929637192 32.065 > 79 80 S 0.73617323913269 0.25000000000000 0.39817929637192 32.065 > 79 81 S 0.23617323913269 0.58333333333333 0.39817929637192 32.065 > 79 82 S 0.73617323913269 0.58333333333333 0.39817929637192 32.065 > 79 83 S 0.23617323913269 0.91666666666667 0.39817929637192 32.065 > 79 84 S 0.73617323913269 0.91666666666667 0.39817929637192 32.065 > 79 85 S 0.08161356367385 0.08333333333333 0.49381100534145 32.065 > 85 86 S 0.58161356367385 0.08333333333333 0.49381100534145 32.065 > 85 87 S 0.08161356367385 0.41666666666667 0.49381100534145 32.065 > 85 88 S 0.58161356367385 0.41666666666667 0.49381100534145 32.065 > 85 89 S 0.08161356367385 0.75000000000000 0.49381100534145 32.065 > 85 90 S 0.58161356367385 0.75000000000000 0.49381100534145 32.065 > 85 91 S 0.41838643632615 0.25000000000000 0.50618899465855 32.065 > 91 92 S 0.91838643632615 0.25000000000000 0.50618899465855 32.065 > 91 93 S 0.41838643632615 0.58333333333333 0.50618899465855 32.065 > 91 94 S 0.91838643632615 0.58333333333333 0.50618899465855 32.065 > 91 95 S 0.41838643632615 0.91666666666667 0.50618899465855 32.065 > 91 96 S 0.91838643632615 0.91666666666667 0.50618899465855 32.065 > 91 97 S 0.33381541847424 0.25000000000000 0.80608529585728 32.065 > 97 98 S 0.83381541847424 0.25000000000000 0.80608529585728 32.065 > 97 99 S 0.33381541847424 0.58333333333333 0.80608529585728 32.065 > 97 100 S 0.83381541847424 0.58333333333333 0.80608529585728 32.065 > 97 101 S 0.33381541847424 0.91666666666667 0.80608529585728 32.065 > 97 102 S 0.83381541847424 0.91666666666667 0.80608529585728 32.065 > 97 103 S 0.16618458152576 0.08333333333333 0.19391470414272 32.065 > 103 104 S 0.66618458152576 0.08333333333333 0.19391470414272 32.065 > 103 105 S 0.16618458152576 0.41666666666667 0.19391470414272 32.065 > 103 106 S 0.66618458152576 0.41666666666667 0.19391470414272 32.065 > 103 107 S 0.16618458152576 0.75000000000000 0.19391470414272 32.065 > 103 108 S 0.66618458152576 0.75000000000000 0.19391470414272 32.065 > 103 109 S 0.01493236207795 0.08333333333333 0.89532208350014 32.065 > 109 110 S 0.51493236207795 0.08333333333333 0.89532208350014 32.065 > 109 111 S 0.01493236207795 0.41666666666667 0.89532208350014 32.065 > 109 112 S 0.51493236207795 0.41666666666667 0.89532208350014 32.065 > 109 113 S 0.01493236207795 0.75000000000000 0.89532208350014 32.065 > 109 114 S 0.51493236207795 0.75000000000000 0.89532208350014 32.065 > 109 115 S 0.48506763792205 0.25000000000000 0.10467791649986 32.065 > 115 116 S 0.98506763792205 0.25000000000000 0.10467791649986 32.065 > 115 117 S 0.48506763792205 0.58333333333333 0.10467791649986 32.065 > 115 118 S 0.98506763792205 0.58333333333333 0.10467791649986 32.065 > 115 119 S 0.48506763792205 0.91666666666667 0.10467791649986 32.065 > 115 120 S 0.98506763792205 0.91666666666667 0.10467791649986 32.065 > 115 121 S 0.10001728657918 0.25000000000000 0.70319477559586 32.065 > 121 122 S 0.60001728657918 0.25000000000000 0.70319477559586 32.065 > 121 123 S 0.10001728657918 0.58333333333333 0.70319477559586 32.065 > 121 124 S 0.60001728657918 0.58333333333333 0.70319477559586 32.065 > 121 125 S 0.10001728657918 0.91666666666667 0.70319477559586 32.065 > 121 126 S 0.60001728657918 0.91666666666667 0.70319477559586 32.065 > 121 127 S 0.39998271342082 0.08333333333333 0.29680522440414 32.065 > 127 128 S 0.89998271342082 0.08333333333333 0.29680522440414 32.065 > 127 129 S 0.39998271342082 0.41666666666667 0.29680522440414 32.065 > 127 130 S 0.89998271342082 0.41666666666667 0.29680522440414 32.065 > 127 131 S 0.39998271342082 0.75000000000000 0.29680522440414 32.065 > 127 132 S 0.89998271342082 0.75000000000000 0.29680522440414 32.065 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.2426927 0.0000000 0.1033128 0.0000000 8.6694440 0.0000000 0.1033403 0.0000000 8.0203991 -------------------------- Born effective charges -------------------------- 1 In 3.9604956 0.0000000 -0.3799452 0.0000000 4.1585347 0.0000000 -0.3766307 0.0000000 2.6034936 2 In 3.9604956 0.0000000 -0.3799452 0.0000000 4.1585347 0.0000000 -0.3766307 0.0000000 2.6034936 3 In 2.7486919 0.0000000 0.5004551 0.0000000 3.8225316 0.0000000 0.4696732 0.0000000 3.6861315 4 In 2.7486919 0.0000000 0.5004551 0.0000000 3.8225316 0.0000000 0.4696732 0.0000000 3.6861315 5 In 2.8891040 0.0000000 -0.0896913 0.0000000 3.2549696 0.0000000 0.1455872 0.0000000 2.3675483 6 In 2.8891040 0.0000000 -0.0896913 0.0000000 3.2549696 0.0000000 0.1455872 0.0000000 2.3675483 7 In 2.3376534 0.0000000 0.3382515 0.0000000 2.6263474 0.0000000 0.1704726 0.0000000 2.6427555 8 In 2.3376534 0.0000000 0.3382515 0.0000000 2.6263474 0.0000000 0.1704726 0.0000000 2.6427555 9 In 2.6816503 0.0000000 0.1879958 0.0000000 2.2287993 0.0000000 -0.0320171 0.0000000 2.6336981 10 In 2.6816503 0.0000000 0.1879958 0.0000000 2.2287993 0.0000000 -0.0320171 0.0000000 2.6336981 11 Cl -1.6243583 0.0000000 0.2732425 0.0000000 -2.2097926 0.0000000 0.5192967 0.0000000 -2.3603425 12 Cl -1.6243583 0.0000000 0.2732425 0.0000000 -2.2097926 0.0000000 0.5192967 0.0000000 -2.3603425 13 S -3.2300714 0.0000000 -0.5778951 0.0000000 -2.1976410 0.0000000 -0.4143009 0.0000000 -2.2625423 14 S -3.2300714 0.0000000 -0.5778951 0.0000000 -2.1976410 0.0000000 -0.4143009 0.0000000 -2.2625423 15 S -2.5124750 0.0000000 0.0077942 0.0000000 -3.0344211 0.0000000 -0.0526898 0.0000000 -2.5085451 16 S -2.5124750 0.0000000 0.0077942 0.0000000 -3.0344211 0.0000000 -0.0526898 0.0000000 -2.5085451 17 S -2.2931464 0.0000000 0.0314249 0.0000000 -2.9337855 0.0000000 0.0845169 0.0000000 -2.3750052 18 S -2.2931464 0.0000000 0.0314249 0.0000000 -2.9337855 0.0000000 0.0845169 0.0000000 -2.3750052 19 S -2.1224884 0.0000000 -0.1491249 0.0000000 -2.3196591 0.0000000 -0.1398797 0.0000000 -2.3406920 20 S -2.1224884 0.0000000 -0.1491249 0.0000000 -2.3196591 0.0000000 -0.1398797 0.0000000 -2.3406920 21 S -2.8350557 0.0000000 -0.1425074 0.0000000 -3.3958834 0.0000000 -0.3740285 0.0000000 -2.0864999 22 S -2.8350557 0.0000000 -0.1425074 0.0000000 -3.3958834 0.0000000 -0.3740285 0.0000000 -2.0864999 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 25, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 37, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 61, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 73, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 85, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 109, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 121, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:05:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:05:32]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.871046781041574 0.000000000000000 0.000000000000000 b 0.000000000000000 3.913976680000000 0.000000000000000 c -0.839568877544785 0.000000000000000 14.721829476167558 Atomic positions (fractional): 1 In 0.33967984452663 0.75000000000000 0.55305725441254 114.818 2 In 0.66032015547337 0.25000000000000 0.44694274558746 114.818 3 In 0.86100612184191 0.75000000000000 0.93949524983258 114.818 4 In 0.13899387815809 0.25000000000000 0.06050475016742 114.818 5 In 0.03379625006393 0.25000000000000 0.64178132882114 114.818 6 In 0.96620374993607 0.75000000000000 0.35821867117886 114.818 7 In 0.75626410576515 0.25000000000000 0.71393606296375 114.818 8 In 0.24373589423485 0.75000000000000 0.28606393703625 114.818 9 In 0.36753392843525 0.25000000000000 0.83717923301668 114.818 10 In 0.63246607156475 0.75000000000000 0.16282076698332 114.818 11 Cl 0.67108809401978 0.25000000000000 0.00140846951377 35.453 12 Cl 0.32891190598022 0.75000000000000 0.99859153048623 35.453 13 S 0.52765352173462 0.25000000000000 0.60182070362808 32.065 14 S 0.47234647826538 0.75000000000000 0.39817929637192 32.065 15 S 0.16322712734770 0.25000000000000 0.49381100534145 32.065 16 S 0.83677287265230 0.75000000000000 0.50618899465855 32.065 17 S 0.66763083694849 0.75000000000000 0.80608529585728 32.065 18 S 0.33236916305151 0.25000000000000 0.19391470414272 32.065 19 S 0.02986472415589 0.25000000000000 0.89532208350014 32.065 20 S 0.97013527584411 0.75000000000000 0.10467791649986 32.065 21 S 0.20003457315836 0.75000000000000 0.70319477559586 32.065 22 S 0.79996542684164 0.25000000000000 0.29680522440414 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.742093562083149 0.000000000000000 0.000000000000000 b 0.000000000000000 11.741930040000000 0.000000000000000 c -0.839568877544785 0.000000000000000 14.721829476167558 Atomic positions (fractional): 1 In 0.16983992226331 0.25000000000000 0.55305725441254 114.818 > 1 2 In 0.66983992226331 0.25000000000000 0.55305725441254 114.818 > 1 3 In 0.16983992226331 0.58333333333333 0.55305725441254 114.818 > 1 4 In 0.66983992226331 0.58333333333333 0.55305725441254 114.818 > 1 5 In 0.16983992226331 0.91666666666667 0.55305725441254 114.818 > 1 6 In 0.66983992226331 0.91666666666667 0.55305725441254 114.818 > 1 7 In 0.33016007773669 0.08333333333333 0.44694274558746 114.818 > 7 8 In 0.83016007773669 0.08333333333333 0.44694274558746 114.818 > 7 9 In 0.33016007773669 0.41666666666667 0.44694274558746 114.818 > 7 10 In 0.83016007773669 0.41666666666667 0.44694274558746 114.818 > 7 11 In 0.33016007773669 0.75000000000000 0.44694274558746 114.818 > 7 12 In 0.83016007773669 0.75000000000000 0.44694274558746 114.818 > 7 13 In 0.43050306092095 0.25000000000000 0.93949524983258 114.818 > 13 14 In 0.93050306092095 0.25000000000000 0.93949524983258 114.818 > 13 15 In 0.43050306092095 0.58333333333333 0.93949524983258 114.818 > 13 16 In 0.93050306092095 0.58333333333333 0.93949524983258 114.818 > 13 17 In 0.43050306092095 0.91666666666667 0.93949524983258 114.818 > 13 18 In 0.93050306092095 0.91666666666667 0.93949524983258 114.818 > 13 19 In 0.06949693907905 0.08333333333333 0.06050475016742 114.818 > 19 20 In 0.56949693907905 0.08333333333333 0.06050475016742 114.818 > 19 21 In 0.06949693907905 0.41666666666667 0.06050475016742 114.818 > 19 22 In 0.56949693907905 0.41666666666667 0.06050475016742 114.818 > 19 23 In 0.06949693907905 0.75000000000000 0.06050475016742 114.818 > 19 24 In 0.56949693907905 0.75000000000000 0.06050475016742 114.818 > 19 25 In 0.01689812503196 0.08333333333333 0.64178132882114 114.818 > 25 26 In 0.51689812503196 0.08333333333333 0.64178132882114 114.818 > 25 27 In 0.01689812503196 0.41666666666667 0.64178132882114 114.818 > 25 28 In 0.51689812503196 0.41666666666667 0.64178132882114 114.818 > 25 29 In 0.01689812503196 0.75000000000000 0.64178132882114 114.818 > 25 30 In 0.51689812503196 0.75000000000000 0.64178132882114 114.818 > 25 31 In 0.48310187496804 0.25000000000000 0.35821867117886 114.818 > 31 32 In 0.98310187496804 0.25000000000000 0.35821867117886 114.818 > 31 33 In 0.48310187496804 0.58333333333333 0.35821867117886 114.818 > 31 34 In 0.98310187496804 0.58333333333333 0.35821867117886 114.818 > 31 35 In 0.48310187496804 0.91666666666667 0.35821867117886 114.818 > 31 36 In 0.98310187496804 0.91666666666667 0.35821867117886 114.818 > 31 37 In 0.37813205288257 0.08333333333333 0.71393606296375 114.818 > 37 38 In 0.87813205288257 0.08333333333333 0.71393606296375 114.818 > 37 39 In 0.37813205288257 0.41666666666667 0.71393606296375 114.818 > 37 40 In 0.87813205288257 0.41666666666667 0.71393606296375 114.818 > 37 41 In 0.37813205288257 0.75000000000000 0.71393606296375 114.818 > 37 42 In 0.87813205288257 0.75000000000000 0.71393606296375 114.818 > 37 43 In 0.12186794711743 0.25000000000000 0.28606393703625 114.818 > 43 44 In 0.62186794711743 0.25000000000000 0.28606393703625 114.818 > 43 45 In 0.12186794711743 0.58333333333333 0.28606393703625 114.818 > 43 46 In 0.62186794711743 0.58333333333333 0.28606393703625 114.818 > 43 47 In 0.12186794711743 0.91666666666667 0.28606393703625 114.818 > 43 48 In 0.62186794711743 0.91666666666667 0.28606393703625 114.818 > 43 49 In 0.18376696421762 0.08333333333333 0.83717923301668 114.818 > 49 50 In 0.68376696421762 0.08333333333333 0.83717923301668 114.818 > 49 51 In 0.18376696421762 0.41666666666667 0.83717923301668 114.818 > 49 52 In 0.68376696421762 0.41666666666667 0.83717923301668 114.818 > 49 53 In 0.18376696421762 0.75000000000000 0.83717923301668 114.818 > 49 54 In 0.68376696421762 0.75000000000000 0.83717923301668 114.818 > 49 55 In 0.31623303578238 0.25000000000000 0.16282076698332 114.818 > 55 56 In 0.81623303578238 0.25000000000000 0.16282076698332 114.818 > 55 57 In 0.31623303578238 0.58333333333333 0.16282076698332 114.818 > 55 58 In 0.81623303578238 0.58333333333333 0.16282076698332 114.818 > 55 59 In 0.31623303578238 0.91666666666667 0.16282076698332 114.818 > 55 60 In 0.81623303578238 0.91666666666667 0.16282076698332 114.818 > 55 61 Cl 0.33554404700989 0.08333333333333 0.00140846951377 35.453 > 61 62 Cl 0.83554404700989 0.08333333333333 0.00140846951377 35.453 > 61 63 Cl 0.33554404700989 0.41666666666667 0.00140846951377 35.453 > 61 64 Cl 0.83554404700989 0.41666666666667 0.00140846951377 35.453 > 61 65 Cl 0.33554404700989 0.75000000000000 0.00140846951377 35.453 > 61 66 Cl 0.83554404700989 0.75000000000000 0.00140846951377 35.453 > 61 67 Cl 0.16445595299011 0.25000000000000 0.99859153048623 35.453 > 67 68 Cl 0.66445595299011 0.25000000000000 0.99859153048623 35.453 > 67 69 Cl 0.16445595299011 0.58333333333333 0.99859153048623 35.453 > 67 70 Cl 0.66445595299011 0.58333333333333 0.99859153048623 35.453 > 67 71 Cl 0.16445595299011 0.91666666666667 0.99859153048623 35.453 > 67 72 Cl 0.66445595299011 0.91666666666667 0.99859153048623 35.453 > 67 73 S 0.26382676086731 0.08333333333333 0.60182070362808 32.065 > 73 74 S 0.76382676086731 0.08333333333333 0.60182070362808 32.065 > 73 75 S 0.26382676086731 0.41666666666667 0.60182070362808 32.065 > 73 76 S 0.76382676086731 0.41666666666667 0.60182070362808 32.065 > 73 77 S 0.26382676086731 0.75000000000000 0.60182070362808 32.065 > 73 78 S 0.76382676086731 0.75000000000000 0.60182070362808 32.065 > 73 79 S 0.23617323913269 0.25000000000000 0.39817929637192 32.065 > 79 80 S 0.73617323913269 0.25000000000000 0.39817929637192 32.065 > 79 81 S 0.23617323913269 0.58333333333333 0.39817929637192 32.065 > 79 82 S 0.73617323913269 0.58333333333333 0.39817929637192 32.065 > 79 83 S 0.23617323913269 0.91666666666667 0.39817929637192 32.065 > 79 84 S 0.73617323913269 0.91666666666667 0.39817929637192 32.065 > 79 85 S 0.08161356367385 0.08333333333333 0.49381100534145 32.065 > 85 86 S 0.58161356367385 0.08333333333333 0.49381100534145 32.065 > 85 87 S 0.08161356367385 0.41666666666667 0.49381100534145 32.065 > 85 88 S 0.58161356367385 0.41666666666667 0.49381100534145 32.065 > 85 89 S 0.08161356367385 0.75000000000000 0.49381100534145 32.065 > 85 90 S 0.58161356367385 0.75000000000000 0.49381100534145 32.065 > 85 91 S 0.41838643632615 0.25000000000000 0.50618899465855 32.065 > 91 92 S 0.91838643632615 0.25000000000000 0.50618899465855 32.065 > 91 93 S 0.41838643632615 0.58333333333333 0.50618899465855 32.065 > 91 94 S 0.91838643632615 0.58333333333333 0.50618899465855 32.065 > 91 95 S 0.41838643632615 0.91666666666667 0.50618899465855 32.065 > 91 96 S 0.91838643632615 0.91666666666667 0.50618899465855 32.065 > 91 97 S 0.33381541847424 0.25000000000000 0.80608529585728 32.065 > 97 98 S 0.83381541847424 0.25000000000000 0.80608529585728 32.065 > 97 99 S 0.33381541847424 0.58333333333333 0.80608529585728 32.065 > 97 100 S 0.83381541847424 0.58333333333333 0.80608529585728 32.065 > 97 101 S 0.33381541847424 0.91666666666667 0.80608529585728 32.065 > 97 102 S 0.83381541847424 0.91666666666667 0.80608529585728 32.065 > 97 103 S 0.16618458152576 0.08333333333333 0.19391470414272 32.065 > 103 104 S 0.66618458152576 0.08333333333333 0.19391470414272 32.065 > 103 105 S 0.16618458152576 0.41666666666667 0.19391470414272 32.065 > 103 106 S 0.66618458152576 0.41666666666667 0.19391470414272 32.065 > 103 107 S 0.16618458152576 0.75000000000000 0.19391470414272 32.065 > 103 108 S 0.66618458152576 0.75000000000000 0.19391470414272 32.065 > 103 109 S 0.01493236207795 0.08333333333333 0.89532208350014 32.065 > 109 110 S 0.51493236207795 0.08333333333333 0.89532208350014 32.065 > 109 111 S 0.01493236207795 0.41666666666667 0.89532208350014 32.065 > 109 112 S 0.51493236207795 0.41666666666667 0.89532208350014 32.065 > 109 113 S 0.01493236207795 0.75000000000000 0.89532208350014 32.065 > 109 114 S 0.51493236207795 0.75000000000000 0.89532208350014 32.065 > 109 115 S 0.48506763792205 0.25000000000000 0.10467791649986 32.065 > 115 116 S 0.98506763792205 0.25000000000000 0.10467791649986 32.065 > 115 117 S 0.48506763792205 0.58333333333333 0.10467791649986 32.065 > 115 118 S 0.98506763792205 0.58333333333333 0.10467791649986 32.065 > 115 119 S 0.48506763792205 0.91666666666667 0.10467791649986 32.065 > 115 120 S 0.98506763792205 0.91666666666667 0.10467791649986 32.065 > 115 121 S 0.10001728657918 0.25000000000000 0.70319477559586 32.065 > 121 122 S 0.60001728657918 0.25000000000000 0.70319477559586 32.065 > 121 123 S 0.10001728657918 0.58333333333333 0.70319477559586 32.065 > 121 124 S 0.60001728657918 0.58333333333333 0.70319477559586 32.065 > 121 125 S 0.10001728657918 0.91666666666667 0.70319477559586 32.065 > 121 126 S 0.60001728657918 0.91666666666667 0.70319477559586 32.065 > 121 127 S 0.39998271342082 0.08333333333333 0.29680522440414 32.065 > 127 128 S 0.89998271342082 0.08333333333333 0.29680522440414 32.065 > 127 129 S 0.39998271342082 0.41666666666667 0.29680522440414 32.065 > 127 130 S 0.89998271342082 0.41666666666667 0.29680522440414 32.065 > 127 131 S 0.39998271342082 0.75000000000000 0.29680522440414 32.065 > 127 132 S 0.89998271342082 0.75000000000000 0.29680522440414 32.065 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.2426927 0.0000000 0.1033128 0.0000000 8.6694440 0.0000000 0.1033403 0.0000000 8.0203991 -------------------------- Born effective charges -------------------------- 1 In 3.9604956 0.0000000 -0.3799452 0.0000000 4.1585347 0.0000000 -0.3766307 0.0000000 2.6034936 2 In 3.9604956 0.0000000 -0.3799452 0.0000000 4.1585347 0.0000000 -0.3766307 0.0000000 2.6034936 3 In 2.7486919 0.0000000 0.5004551 0.0000000 3.8225316 0.0000000 0.4696732 0.0000000 3.6861315 4 In 2.7486919 0.0000000 0.5004551 0.0000000 3.8225316 0.0000000 0.4696732 0.0000000 3.6861315 5 In 2.8891040 0.0000000 -0.0896913 0.0000000 3.2549696 0.0000000 0.1455872 0.0000000 2.3675483 6 In 2.8891040 0.0000000 -0.0896913 0.0000000 3.2549696 0.0000000 0.1455872 0.0000000 2.3675483 7 In 2.3376534 0.0000000 0.3382515 0.0000000 2.6263474 0.0000000 0.1704726 0.0000000 2.6427555 8 In 2.3376534 0.0000000 0.3382515 0.0000000 2.6263474 0.0000000 0.1704726 0.0000000 2.6427555 9 In 2.6816503 0.0000000 0.1879958 0.0000000 2.2287993 0.0000000 -0.0320171 0.0000000 2.6336981 10 In 2.6816503 0.0000000 0.1879958 0.0000000 2.2287993 0.0000000 -0.0320171 0.0000000 2.6336981 11 Cl -1.6243583 0.0000000 0.2732425 0.0000000 -2.2097926 0.0000000 0.5192967 0.0000000 -2.3603425 12 Cl -1.6243583 0.0000000 0.2732425 0.0000000 -2.2097926 0.0000000 0.5192967 0.0000000 -2.3603425 13 S -3.2300714 0.0000000 -0.5778951 0.0000000 -2.1976410 0.0000000 -0.4143009 0.0000000 -2.2625423 14 S -3.2300714 0.0000000 -0.5778951 0.0000000 -2.1976410 0.0000000 -0.4143009 0.0000000 -2.2625423 15 S -2.5124750 0.0000000 0.0077942 0.0000000 -3.0344211 0.0000000 -0.0526898 0.0000000 -2.5085451 16 S -2.5124750 0.0000000 0.0077942 0.0000000 -3.0344211 0.0000000 -0.0526898 0.0000000 -2.5085451 17 S -2.2931464 0.0000000 0.0314249 0.0000000 -2.9337855 0.0000000 0.0845169 0.0000000 -2.3750052 18 S -2.2931464 0.0000000 0.0314249 0.0000000 -2.9337855 0.0000000 0.0845169 0.0000000 -2.3750052 19 S -2.1224884 0.0000000 -0.1491249 0.0000000 -2.3196591 0.0000000 -0.1398797 0.0000000 -2.3406920 20 S -2.1224884 0.0000000 -0.1491249 0.0000000 -2.3196591 0.0000000 -0.1398797 0.0000000 -2.3406920 21 S -2.8350557 0.0000000 -0.1425074 0.0000000 -3.3958834 0.0000000 -0.3740285 0.0000000 -2.0864999 22 S -2.8350557 0.0000000 -0.1425074 0.0000000 -3.3958834 0.0000000 -0.3740285 0.0000000 -2.0864999 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 13 3 ] 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: 0.52, Number of G-points: 281, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.702 ( 0.000 0.000 0.000) 0.000 0.910 ( 0.000 0.000 0.000) 0.000 0.917 ( 0.000 0.000 0.000) 0.000 0.980 ( 0.000 0.000 0.000) 0.000 1.044 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 8.211 ( 0.000 0.000 0.000) 0.000 8.303 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.554 ( 0.000 0.000 0.000) 0.000 8.686 ( 0.000 0.000 0.000) 0.000 8.895 ( 0.000 0.000 0.000) 0.000 9.570 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 16.545 0.000 3.871) 16.992 0.380 ( 18.825 0.000 0.600) 18.834 0.668 ( 19.286 0.000 4.235) 19.745 0.753 ( 14.683 0.000 -2.847) 14.956 0.909 ( -0.138 0.000 0.633) 0.648 1.030 ( 5.494 0.000 6.401) 8.436 1.049 ( 0.358 0.000 0.399) 0.536 1.107 ( 1.249 0.000 10.962) 11.033 1.200 ( 2.341 0.000 -1.903) 3.017 1.430 ( -3.072 0.000 -3.651) 4.771 1.499 ( -1.296 0.000 0.832) 1.540 1.560 ( -0.734 0.000 0.248) 0.774 1.615 ( -4.812 0.000 -2.023) 5.220 1.671 ( 1.129 0.000 -0.265) 1.160 1.795 ( 0.957 0.000 -6.849) 6.915 1.952 ( -0.525 0.000 2.581) 2.634 2.020 ( 0.355 0.000 1.926) 1.958 2.061 ( -1.220 0.000 -0.034) 1.221 2.090 ( 5.841 0.000 -2.038) 6.186 2.188 ( -0.507 0.000 0.018) 0.508 2.230 ( 2.555 0.000 -9.996) 10.317 2.303 ( 0.080 0.000 -0.047) 0.093 2.439 ( 0.711 0.000 6.909) 6.945 2.782 ( -0.302 0.000 0.531) 0.611 2.898 ( 0.438 0.000 0.294) 0.528 3.350 ( -2.794 0.000 0.061) 2.795 3.398 ( -4.403 0.000 -2.248) 4.944 3.600 ( -2.425 0.000 -1.083) 2.655 3.687 ( -1.515 0.000 3.865) 4.151 3.705 ( 2.670 0.000 -0.105) 2.672 3.800 ( -5.144 0.000 5.923) 7.844 4.171 ( -16.057 0.000 -1.218) 16.103 4.437 ( 2.010 0.000 -7.412) 7.680 4.966 ( 2.387 0.000 -0.317) 2.408 5.017 ( 1.122 0.000 0.429) 1.201 5.160 ( 5.956 0.000 0.160) 5.958 5.186 ( -5.021 0.000 0.109) 5.022 5.559 ( -1.064 0.000 0.293) 1.104 5.840 ( -3.148 0.000 -0.010) 3.148 5.926 ( 13.721 0.000 -0.549) 13.732 6.127 ( 10.418 0.000 -0.063) 10.419 6.392 ( -5.629 0.000 -1.537) 5.835 6.675 ( -1.953 0.000 -0.017) 1.953 6.735 ( 5.132 0.000 0.872) 5.205 6.739 ( 0.056 0.000 -0.028) 0.063 6.985 ( -7.863 0.000 -0.238) 7.866 7.032 ( 1.331 0.000 -15.017) 15.075 7.046 ( 0.062 0.000 0.138) 0.151 7.147 ( -2.592 0.000 -3.614) 4.447 7.165 ( -0.347 0.000 -0.081) 0.357 7.392 ( -1.817 0.000 0.765) 1.971 7.404 ( -0.442 0.000 0.002) 0.442 7.475 ( -1.470 0.000 14.552) 14.626 7.567 ( 4.113 0.000 2.649) 4.892 7.789 ( 0.228 0.000 0.009) 0.229 7.829 ( 0.579 0.000 -0.012) 0.579 7.891 ( -0.892 0.000 2.226) 2.399 8.015 ( -3.373 0.000 -8.370) 9.024 8.243 ( 0.482 0.000 -7.322) 7.338 8.355 ( -0.242 0.000 12.539) 12.542 8.394 ( -0.152 0.000 3.215) 3.218 8.548 ( -0.882 0.000 1.435) 1.685 8.827 ( -0.514 0.000 2.522) 2.573 8.880 ( -1.488 0.000 -1.059) 1.827 9.606 ( -4.266 0.000 3.121) 5.286 9.867 ( 2.334 0.000 1.431) 2.738 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 9.387 0.000 2.973) 9.846 0.683 ( 12.746 0.000 0.314) 12.750 0.779 ( 4.405 0.000 -2.579) 5.104 0.901 ( -1.033 0.000 0.836) 1.329 1.008 ( 5.543 0.000 5.818) 8.036 1.055 ( 0.190 0.000 0.703) 0.728 1.109 ( 3.069 0.000 5.493) 6.292 1.254 ( 3.374 0.000 -3.199) 4.649 1.321 ( -3.970 0.000 2.440) 4.660 1.351 ( 8.609 0.000 -1.882) 8.812 1.465 ( -2.381 0.000 1.806) 2.988 1.546 ( -0.711 0.000 0.115) 0.720 1.558 ( 1.060 0.000 -6.848) 6.929 1.691 ( 0.906 0.000 -0.228) 0.934 1.794 ( 0.352 0.000 -5.071) 5.083 1.961 ( 2.616 0.000 -0.353) 2.639 2.023 ( 0.343 0.000 3.490) 3.507 2.035 ( -1.210 0.000 -0.032) 1.210 2.150 ( 1.312 0.000 4.185) 4.386 2.177 ( -0.542 0.000 0.032) 0.543 2.305 ( 0.123 0.000 -0.063) 0.138 2.377 ( 12.173 0.000 -8.652) 14.935 2.479 ( 2.218 0.000 5.472) 5.904 2.781 ( 0.011 0.000 1.605) 1.605 2.876 ( -2.704 0.000 -0.841) 2.832 3.278 ( -7.191 0.000 -4.277) 8.366 3.299 ( -2.202 0.000 0.043) 2.203 3.546 ( -4.531 0.000 1.180) 4.682 3.604 ( -7.936 0.000 3.403) 8.635 3.732 ( -1.069 0.000 1.970) 2.242 3.754 ( 2.074 0.000 -0.091) 2.076 3.885 ( -10.701 0.000 -2.445) 10.976 4.465 ( 1.357 0.000 -2.274) 2.648 5.017 ( 2.285 0.000 -0.479) 2.335 5.040 ( 1.147 0.000 0.579) 1.285 5.086 ( -4.699 0.000 0.102) 4.700 5.240 ( 2.324 0.000 0.552) 2.389 5.577 ( 2.291 0.000 -0.390) 2.324 5.813 ( -0.265 0.000 -0.022) 0.266 6.205 ( 14.239 0.000 0.717) 14.257 6.286 ( -4.053 0.000 0.631) 4.102 6.316 ( 9.142 0.000 -0.031) 9.142 6.619 ( -3.947 0.000 -0.036) 3.947 6.740 ( 0.053 0.000 -0.020) 0.057 6.770 ( -13.087 0.000 2.326) 13.292 6.809 ( 1.443 0.000 1.300) 1.942 7.048 ( 0.152 0.000 0.140) 0.206 7.057 ( 1.574 0.000 -8.534) 8.678 7.146 ( 3.088 0.000 0.157) 3.092 7.157 ( -0.433 0.000 -0.080) 0.441 7.343 ( -4.110 0.000 0.910) 4.210 7.395 ( -0.427 0.000 0.001) 0.427 7.474 ( 0.948 0.000 3.032) 3.177 7.632 ( 2.689 0.000 -1.546) 3.101 7.794 ( 0.247 0.000 0.004) 0.247 7.841 ( 0.543 0.000 -0.008) 0.543 7.842 ( -4.771 0.000 1.103) 4.897 7.952 ( -1.418 0.000 -2.280) 2.684 8.268 ( 2.211 0.000 -1.921) 2.928 8.347 ( -1.383 0.000 2.114) 2.526 8.409 ( 1.420 0.000 1.677) 2.197 8.522 ( -1.883 0.000 1.803) 2.607 8.816 ( -0.806 0.000 1.805) 1.977 8.844 ( -1.758 0.000 -1.127) 2.088 9.553 ( -1.511 0.000 -0.120) 1.515 9.893 ( 0.361 0.000 0.462) 0.586 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 0.000 0.000) 0.000 0.829 ( 0.000 0.000 0.000) 0.000 0.834 ( 0.000 0.000 -0.000) 0.000 0.866 ( -0.000 0.000 0.000) 0.000 1.057 ( 0.000 0.000 -0.000) 0.000 1.091 ( 0.000 0.000 -0.000) 0.000 1.168 ( 0.000 0.000 -0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.294 ( 0.000 0.000 -0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 -0.000) 0.000 1.538 ( 0.000 0.000 -0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 -0.000) 0.000 2.006 ( 0.000 0.000 -0.000) 0.000 2.023 ( 0.000 0.000 -0.000) 0.000 2.053 ( -0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 -0.000) 0.000 2.171 ( 0.000 0.000 -0.000) 0.000 2.307 ( 0.000 0.000 -0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.575 ( -0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 -0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 -0.000) 0.000 3.430 ( 0.000 0.000 -0.000) 0.000 3.554 ( 0.000 0.000 -0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 -0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 -0.000) 0.000 5.037 ( 0.000 0.000 -0.000) 0.000 5.038 ( 0.000 0.000 -0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 -0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 -0.000) 0.000 6.224 ( 0.000 0.000 -0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 6.466 ( -0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 -0.000) 0.000 6.556 ( 0.000 0.000 -0.000) 0.000 6.740 ( 0.000 0.000 -0.000) 0.000 6.821 ( 0.000 0.000 -0.000) 0.000 7.050 ( 0.000 0.000 -0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 -0.000) 0.000 7.236 ( -0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 -0.000) 0.000 7.391 ( 0.000 0.000 -0.000) 0.000 7.495 ( 0.000 0.000 -0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.000 -0.000) 0.000 7.796 ( 0.000 0.000 -0.000) 0.000 7.846 ( 0.000 0.000 -0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 8.299 ( -0.000 0.000 -0.000) 0.000 8.325 ( 0.000 0.000 -0.000) 0.000 8.430 ( 0.000 0.000 -0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 -0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 0.000 16.050 0.000) 16.050 0.450 ( 0.000 21.867 0.000) 21.867 0.644 ( 0.000 11.773 0.000) 11.773 0.836 ( 0.000 27.006 0.000) 27.006 0.893 ( 0.000 0.019 0.000) 0.019 0.975 ( 0.000 6.777 0.000) 6.777 1.096 ( 0.000 9.200 0.000) 9.200 1.231 ( 0.000 5.791 0.000) 5.791 1.261 ( 0.000 4.119 0.000) 4.119 1.509 ( 0.000 5.627 0.000) 5.627 1.519 ( 0.000 -1.294 0.000) 1.294 1.612 ( 0.000 8.057 0.000) 8.057 1.667 ( 0.000 -0.549 0.000) 0.549 1.767 ( 0.000 4.689 0.000) 4.689 1.846 ( 0.000 5.396 0.000) 5.396 1.862 ( 0.000 4.565 0.000) 4.565 1.960 ( 0.000 2.678 0.000) 2.678 1.983 ( 0.000 -1.129 0.000) 1.129 2.218 ( 0.000 2.533 0.000) 2.533 2.230 ( 0.000 10.568 0.000) 10.568 2.358 ( 0.000 15.104 0.000) 15.104 2.432 ( 0.000 11.692 0.000) 11.692 2.467 ( 0.000 2.877 0.000) 2.877 2.767 ( 0.000 -0.633 0.000) 0.633 2.856 ( 0.000 -0.593 0.000) 0.593 3.419 ( 0.000 -1.863 0.000) 1.863 3.615 ( 0.000 -4.867 0.000) 4.867 3.618 ( 0.000 -0.869 0.000) 0.869 3.717 ( 0.000 0.755 0.000) 0.755 3.751 ( 0.000 -0.352 0.000) 0.352 3.820 ( 0.000 0.497 0.000) 0.497 4.313 ( 0.000 -4.554 0.000) 4.554 4.322 ( 0.000 -2.042 0.000) 2.042 4.926 ( 0.000 -1.938 0.000) 1.938 5.030 ( 0.000 2.130 0.000) 2.130 5.049 ( 0.000 -1.396 0.000) 1.396 5.387 ( 0.000 -4.891 0.000) 4.891 5.485 ( 0.000 2.151 0.000) 2.151 5.640 ( 0.000 8.924 0.000) 8.924 6.072 ( 0.000 8.885 0.000) 8.885 6.361 ( 0.000 -1.423 0.000) 1.423 6.463 ( 0.000 -3.914 0.000) 3.914 6.465 ( 0.000 -0.039 0.000) 0.039 6.678 ( 0.000 0.946 0.000) 0.946 6.791 ( 0.000 5.917 0.000) 5.917 6.970 ( 0.000 -0.195 0.000) 0.195 7.095 ( 0.000 3.157 0.000) 3.157 7.097 ( 0.000 -1.695 0.000) 1.695 7.152 ( 0.000 -3.317 0.000) 3.317 7.253 ( 0.000 3.309 0.000) 3.309 7.434 ( 0.000 5.340 0.000) 5.340 7.471 ( 0.000 2.809 0.000) 2.809 7.485 ( 0.000 3.033 0.000) 3.033 7.547 ( 0.000 5.195 0.000) 5.195 7.652 ( 0.000 -2.925 0.000) 2.925 7.860 ( 0.000 -3.467 0.000) 3.467 7.937 ( 0.000 7.641 0.000) 7.641 8.228 ( 0.000 1.619 0.000) 1.619 8.302 ( 0.000 0.209 0.000) 0.209 8.371 ( 0.000 -2.197 0.000) 2.197 8.538 ( 0.000 -1.363 0.000) 1.363 8.693 ( 0.000 0.857 0.000) 0.857 8.784 ( 0.000 0.721 0.000) 0.721 8.872 ( 0.000 -2.059 0.000) 2.059 9.541 ( 0.000 -2.772 0.000) 2.772 9.806 ( 0.000 -2.168 0.000) 2.168 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 8.991 8.939 -1.121) 12.728 0.553 ( 11.137 15.255 4.494) 19.415 0.718 ( 4.580 2.981 1.192) 5.594 0.903 ( 2.773 3.094 1.929) 4.581 1.009 ( 9.809 16.501 -0.419) 19.201 1.029 ( 3.385 3.371 5.575) 7.342 1.133 ( 5.450 10.339 0.079) 11.688 1.207 ( 0.589 8.810 1.214) 8.912 1.314 ( 4.963 7.363 -2.885) 9.337 1.444 ( -3.242 2.765 -6.734) 7.969 1.526 ( -1.804 1.172 4.516) 5.002 1.586 ( -1.752 4.016 -0.923) 4.478 1.656 ( 0.025 5.845 -0.109) 5.846 1.765 ( 0.305 6.236 1.179) 6.354 1.853 ( -0.945 4.575 -1.269) 4.841 1.941 ( -1.501 1.608 2.297) 3.181 1.966 ( 5.705 -2.520 0.556) 6.261 1.991 ( 1.726 -1.616 0.306) 2.384 2.225 ( -1.620 11.174 -0.328) 11.296 2.258 ( 5.225 3.955 -4.696) 8.062 2.335 ( -1.362 11.293 -2.000) 11.550 2.414 ( 0.629 8.817 -0.521) 8.855 2.499 ( 1.088 8.005 4.134) 9.074 2.756 ( -0.320 -0.338 -1.888) 1.944 2.879 ( 1.393 -0.333 0.579) 1.544 3.366 ( -5.035 -1.289 -1.120) 5.316 3.540 ( -8.219 6.029 0.686) 10.216 3.603 ( -3.074 0.248 -1.208) 3.312 3.623 ( -0.216 -2.843 -1.137) 3.070 3.733 ( -4.115 -5.078 4.268) 7.806 3.818 ( 0.960 5.925 0.378) 6.014 4.145 ( -14.101 -2.045 -0.747) 14.268 4.389 ( 3.630 -3.282 -3.129) 5.808 4.935 ( 2.182 -2.358 -0.056) 3.213 5.024 ( -0.266 1.123 0.095) 1.158 5.130 ( 5.584 -1.932 0.528) 5.932 5.395 ( -3.618 10.314 -0.002) 10.930 5.498 ( 1.913 -3.527 0.719) 4.076 5.733 ( 10.281 -3.423 -0.703) 10.859 5.992 ( -5.535 11.119 0.523) 12.432 6.345 ( 3.451 5.760 1.499) 6.880 6.395 ( -3.248 -1.758 -0.365) 3.711 6.591 ( 4.165 -3.080 -0.763) 5.236 6.630 ( -2.423 -2.595 -2.848) 4.551 6.847 ( 2.984 5.291 1.930) 6.374 6.981 ( 0.399 -2.814 -0.022) 2.842 7.042 ( -3.306 3.374 1.294) 4.897 7.080 ( -1.481 3.476 -5.657) 6.803 7.152 ( 0.054 -2.198 -1.846) 2.871 7.227 ( -2.637 2.463 0.723) 3.681 7.389 ( -3.210 2.943 -3.108) 5.350 7.439 ( -0.666 4.895 -1.198) 5.084 7.503 ( -2.064 2.540 8.571) 9.175 7.574 ( 4.086 1.498 4.722) 6.422 7.705 ( 3.594 -1.597 -6.336) 7.457 7.816 ( -2.300 -1.508 -0.119) 2.753 7.996 ( 3.584 5.660 -1.893) 6.962 8.157 ( -6.867 4.980 0.609) 8.505 8.300 ( -0.384 1.403 -6.801) 6.955 8.375 ( 0.387 -1.697 4.101) 4.455 8.427 ( -10.219 7.861 5.634) 14.070 8.537 ( -1.256 -0.490 2.023) 2.431 8.828 ( -0.561 0.164 0.762) 0.960 8.858 ( -0.884 -2.054 -0.242) 2.249 9.537 ( -1.982 -5.112 0.972) 5.568 9.839 ( 2.376 -2.545 0.633) 3.539 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 5.289 2.260 1.124) 5.860 0.782 ( 8.128 6.014 2.259) 10.360 0.819 ( 7.490 4.288 -1.280) 8.725 0.956 ( 3.104 4.655 0.752) 5.645 1.078 ( 1.629 7.416 4.397) 8.774 1.085 ( 1.857 2.012 3.352) 4.328 1.163 ( 0.307 6.131 -1.364) 6.289 1.288 ( -0.275 3.029 -1.465) 3.376 1.346 ( -5.930 4.066 -0.344) 7.198 1.441 ( 6.035 9.776 -0.076) 11.489 1.559 ( 1.279 4.148 -1.803) 4.700 1.578 ( -0.643 4.000 -5.271) 6.649 1.657 ( 5.063 9.137 1.061) 10.500 1.775 ( 0.507 6.629 1.966) 6.933 1.816 ( -3.287 6.483 -3.364) 8.010 1.932 ( 2.239 -1.744 1.532) 3.225 2.005 ( 0.983 -0.354 1.455) 1.791 2.074 ( 4.213 -3.813 3.835) 6.855 2.170 ( -2.476 9.211 -0.596) 9.557 2.342 ( 1.684 10.908 0.172) 11.039 2.375 ( 3.817 5.535 -0.264) 6.729 2.467 ( 6.861 6.956 -5.085) 11.014 2.505 ( -0.635 7.312 2.612) 7.790 2.761 ( 1.077 0.323 -0.670) 1.309 2.885 ( -1.195 1.394 -0.232) 1.850 3.258 ( -5.381 -0.045 -1.982) 5.735 3.404 ( -6.628 6.281 1.312) 9.225 3.541 ( -2.877 -2.662 -0.778) 3.996 3.591 ( -4.737 1.826 3.275) 6.042 3.679 ( -0.296 -3.998 0.697) 4.069 3.844 ( 0.854 5.651 -0.857) 5.779 3.873 ( -11.315 0.022 -1.393) 11.400 4.443 ( 2.227 -1.676 -1.327) 3.087 4.989 ( 2.633 -2.399 -0.466) 3.592 5.023 ( 0.186 -0.708 0.463) 0.866 5.206 ( 2.243 0.246 0.922) 2.438 5.298 ( -4.946 12.866 -0.135) 13.785 5.540 ( 2.394 -2.846 -0.265) 3.729 5.935 ( 1.766 7.349 -0.064) 7.559 5.963 ( 9.470 -7.286 -0.264) 11.952 6.273 ( -4.491 -1.223 0.383) 4.670 6.454 ( -4.510 -9.246 -0.222) 10.289 6.558 ( 4.834 8.448 -1.896) 9.916 6.684 ( 2.513 -0.651 3.129) 4.065 6.874 ( -0.656 5.614 1.239) 5.787 6.972 ( -2.868 6.555 1.746) 7.365 6.974 ( -1.216 0.043 0.330) 1.261 7.083 ( 1.572 2.202 -3.771) 4.641 7.155 ( 0.582 -1.780 -1.244) 2.248 7.193 ( -0.159 2.536 0.436) 2.579 7.325 ( -3.808 -0.904 -1.134) 4.074 7.407 ( -1.644 2.063 -0.716) 2.733 7.506 ( 0.884 3.917 1.688) 4.356 7.638 ( 2.280 0.474 2.837) 3.671 7.748 ( 1.453 -0.180 -2.968) 3.309 7.784 ( -1.333 -1.609 -2.047) 2.925 8.007 ( -4.191 7.545 2.669) 9.034 8.064 ( 0.402 8.685 -2.953) 9.182 8.279 ( -0.367 1.230 -1.795) 2.207 8.334 ( -2.686 -0.390 2.279) 3.544 8.401 ( 1.714 -0.670 1.563) 2.415 8.512 ( -1.665 -0.838 1.696) 2.520 8.805 ( -1.271 -1.215 0.272) 1.779 8.835 ( -1.359 -0.641 0.203) 1.516 9.501 ( -1.303 -4.657 -0.354) 4.849 9.868 ( 0.617 -2.407 0.368) 2.512 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 0.056 0.000) 0.056 0.844 ( 0.000 2.031 0.000) 2.031 0.918 ( 0.000 3.109 0.000) 3.109 0.993 ( -0.000 12.337 -0.000) 12.337 1.101 ( 0.000 2.218 0.000) 2.218 1.132 ( -0.000 4.299 -0.000) 4.299 1.153 ( 0.000 0.592 0.000) 0.592 1.254 ( 0.000 6.485 0.000) 6.485 1.300 ( 0.000 2.074 0.000) 2.074 1.461 ( 0.000 8.440 0.000) 8.440 1.536 ( 0.000 1.737 0.000) 1.737 1.588 ( -0.000 12.231 -0.000) 12.231 1.727 ( 0.000 -0.033 0.000) 0.033 1.774 ( 0.000 9.447 0.000) 9.447 1.784 ( 0.000 7.344 -0.000) 7.344 1.966 ( 0.000 -2.973 -0.000) 2.973 2.025 ( 0.000 -2.148 0.000) 2.148 2.132 ( 0.000 7.857 0.000) 7.857 2.144 ( -0.000 0.334 -0.000) 0.334 2.364 ( 0.000 17.288 -0.000) 17.288 2.398 ( 0.000 1.449 -0.000) 1.449 2.495 ( 0.000 5.786 -0.000) 5.786 2.582 ( -0.000 0.551 0.000) 0.551 2.798 ( 0.000 6.057 -0.000) 6.057 2.828 ( 0.000 -0.354 0.000) 0.354 3.207 ( 0.000 2.565 0.000) 2.565 3.314 ( 0.000 3.204 -0.000) 3.204 3.514 ( 0.000 -2.794 -0.000) 2.794 3.525 ( 0.000 8.230 0.000) 8.230 3.686 ( 0.000 -3.317 0.000) 3.317 3.759 ( 0.000 -2.597 0.000) 2.597 3.859 ( 0.000 5.973 -0.000) 5.973 4.464 ( 0.000 -0.898 -0.000) 0.898 5.011 ( 0.000 -2.478 -0.000) 2.478 5.030 ( 0.000 -1.353 0.000) 1.353 5.226 ( 0.000 14.955 -0.000) 14.955 5.246 ( 0.000 -1.282 -0.000) 1.282 5.568 ( 0.000 -2.973 0.000) 2.973 5.940 ( 0.000 11.403 -0.000) 11.403 6.089 ( 0.000 -10.107 -0.000) 10.107 6.269 ( -0.000 -11.229 0.000) 11.229 6.325 ( 0.000 -1.920 -0.000) 1.920 6.640 ( 0.000 -1.313 0.000) 1.313 6.715 ( 0.000 7.336 -0.000) 7.336 6.843 ( 0.000 9.676 -0.000) 9.676 6.944 ( 0.000 12.594 -0.000) 12.594 6.968 ( 0.000 -5.310 -0.000) 5.310 7.097 ( 0.000 1.769 0.000) 1.769 7.159 ( 0.000 1.019 0.000) 1.019 7.237 ( 0.000 -2.126 0.000) 2.126 7.250 ( -0.000 -0.871 -0.000) 0.871 7.390 ( 0.000 0.687 -0.000) 0.687 7.519 ( 0.000 3.739 -0.000) 3.739 7.663 ( 0.000 -0.198 0.000) 0.198 7.759 ( 0.000 0.109 0.000) 0.109 7.764 ( 0.000 0.156 -0.000) 0.156 7.962 ( 0.000 7.608 0.000) 7.608 8.074 ( 0.000 9.987 -0.000) 9.987 8.283 ( 0.000 -0.660 -0.000) 0.660 8.303 ( 0.000 -2.061 -0.000) 2.061 8.424 ( 0.000 -0.512 -0.000) 0.512 8.491 ( 0.000 -0.624 0.000) 0.624 8.792 ( 0.000 -1.526 -0.000) 1.526 8.820 ( 0.000 -0.399 0.000) 0.399 9.490 ( 0.000 -4.676 0.000) 4.676 9.872 ( 0.000 -2.193 0.000) 2.193 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 10.318 0.000) 10.318 0.756 ( 0.000 5.636 0.000) 5.636 0.827 ( 0.000 14.623 0.000) 14.623 0.964 ( 0.000 9.228 0.000) 9.228 1.186 ( 0.000 13.149 0.000) 13.149 1.266 ( 0.000 5.199 0.000) 5.199 1.288 ( 0.000 10.248 0.000) 10.248 1.321 ( 0.000 3.282 0.000) 3.282 1.479 ( 0.000 18.591 0.000) 18.591 1.555 ( 0.000 5.057 0.000) 5.057 1.688 ( 0.000 6.423 0.000) 6.423 1.714 ( 0.000 12.316 0.000) 12.316 1.724 ( 0.000 1.853 0.000) 1.853 1.818 ( 0.000 2.509 0.000) 2.509 1.940 ( 0.000 6.765 0.000) 6.765 1.960 ( 0.000 -0.482 0.000) 0.482 1.991 ( 0.000 5.004 0.000) 5.004 2.129 ( 0.000 12.250 0.000) 12.250 2.354 ( 0.000 11.328 0.000) 11.328 2.385 ( 0.000 1.961 0.000) 1.961 2.537 ( 0.000 5.852 0.000) 5.852 2.666 ( 0.000 9.956 0.000) 9.956 2.729 ( 0.000 20.241 0.000) 20.241 2.845 ( 0.000 9.212 0.000) 9.212 2.901 ( 0.000 7.697 0.000) 7.697 3.382 ( 0.000 -1.341 0.000) 1.341 3.514 ( 0.000 -4.499 0.000) 4.499 3.604 ( 0.000 -0.262 0.000) 0.262 3.665 ( 0.000 -5.219 0.000) 5.219 3.749 ( 0.000 0.388 0.000) 0.388 3.887 ( 0.000 4.972 0.000) 4.972 4.211 ( 0.000 -5.211 0.000) 5.211 4.271 ( 0.000 -2.901 0.000) 2.901 4.885 ( 0.000 -1.814 0.000) 1.814 5.030 ( 0.000 -0.138 0.000) 0.138 5.063 ( 0.000 0.503 0.000) 0.503 5.323 ( 0.000 -0.963 0.000) 0.963 5.467 ( 0.000 -1.979 0.000) 1.979 5.936 ( 0.000 17.794 0.000) 17.794 6.153 ( 0.000 -2.559 0.000) 2.559 6.320 ( 0.000 -0.181 0.000) 0.181 6.427 ( 0.000 -2.844 0.000) 2.844 6.514 ( 0.000 7.257 0.000) 7.257 6.675 ( 0.000 -1.479 0.000) 1.479 6.892 ( 0.000 5.222 0.000) 5.222 6.970 ( 0.000 -0.510 0.000) 0.510 7.043 ( 0.000 -5.078 0.000) 5.078 7.124 ( 0.000 2.114 0.000) 2.114 7.209 ( 0.000 6.330 0.000) 6.330 7.267 ( 0.000 -0.039 0.000) 0.039 7.494 ( 0.000 -2.356 0.000) 2.356 7.569 ( 0.000 4.974 0.000) 4.974 7.577 ( 0.000 7.659 0.000) 7.659 7.632 ( 0.000 1.264 0.000) 1.264 7.683 ( 0.000 8.081 0.000) 8.081 7.789 ( 0.000 -2.124 0.000) 2.124 8.080 ( 0.000 6.703 0.000) 6.703 8.254 ( 0.000 0.921 0.000) 0.921 8.316 ( 0.000 -2.938 0.000) 2.938 8.333 ( 0.000 2.861 0.000) 2.861 8.513 ( 0.000 -1.053 0.000) 1.053 8.724 ( 0.000 2.353 0.000) 2.353 8.773 ( 0.000 -2.740 0.000) 2.740 8.843 ( 0.000 0.116 0.000) 0.116 9.472 ( 0.000 -3.865 0.000) 3.865 9.746 ( 0.000 -3.743 0.000) 3.743 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 3.542 8.353 -1.053) 9.134 0.787 ( 3.432 4.331 -0.959) 5.608 0.855 ( 2.703 12.045 3.470) 12.823 0.995 ( 3.418 10.126 1.148) 10.749 1.185 ( 0.020 10.752 -0.616) 10.770 1.243 ( -0.310 7.862 2.353) 8.213 1.300 ( -1.460 4.694 -0.755) 4.974 1.368 ( 4.575 4.733 -3.646) 7.525 1.490 ( -0.535 7.776 3.367) 8.491 1.564 ( 0.328 8.904 -8.170) 12.088 1.654 ( -1.529 6.071 0.884) 6.323 1.726 ( 3.182 15.406 0.093) 15.732 1.774 ( 2.786 2.741 2.353) 4.562 1.846 ( 2.745 3.879 4.578) 6.599 1.918 ( -1.982 5.472 0.933) 5.894 1.968 ( 0.765 1.017 -0.560) 1.390 1.997 ( 0.180 3.522 1.278) 3.751 2.117 ( -0.822 12.103 0.144) 12.132 2.350 ( 0.064 3.850 2.714) 4.711 2.447 ( 5.292 5.891 -3.676) 8.731 2.461 ( -5.879 9.369 -1.712) 11.193 2.685 ( 1.184 9.740 1.782) 9.972 2.729 ( 0.127 17.303 -2.349) 17.462 2.856 ( 1.606 11.899 -3.566) 12.525 2.935 ( 2.253 7.426 1.945) 8.000 3.350 ( -2.906 0.319 -0.052) 2.924 3.531 ( 0.740 -3.934 0.054) 4.003 3.570 ( -2.947 -0.678 -2.432) 3.881 3.608 ( -4.931 -3.037 4.878) 7.572 3.696 ( -3.601 2.089 -1.209) 4.335 3.911 ( 1.678 3.890 -0.947) 4.341 4.110 ( -9.224 -1.231 0.278) 9.310 4.325 ( 4.482 -3.140 -0.541) 5.499 4.887 ( 1.366 -2.208 -0.035) 2.596 5.040 ( -1.783 -0.075 -0.551) 1.868 5.089 ( 4.416 -1.793 0.604) 4.804 5.401 ( 5.885 -1.146 0.295) 6.003 5.491 ( 2.129 -2.251 -0.088) 3.100 5.886 ( -3.140 13.722 -0.603) 14.090 6.147 ( -1.270 2.668 0.557) 3.007 6.307 ( 0.431 -2.414 1.154) 2.710 6.470 ( -3.620 7.852 -0.202) 8.649 6.528 ( 5.186 -2.370 0.363) 5.713 6.641 ( -0.410 0.615 -2.207) 2.327 6.918 ( 1.407 1.747 2.325) 3.231 6.949 ( -1.606 -0.177 0.262) 1.637 7.048 ( 0.549 -4.633 -1.577) 4.925 7.111 ( -0.884 1.847 -2.793) 3.463 7.212 ( 0.198 7.269 1.263) 7.381 7.246 ( -1.687 0.846 1.220) 2.247 7.437 ( -4.182 -0.071 -0.930) 4.285 7.552 ( -5.217 3.053 1.319) 6.187 7.591 ( 1.233 7.653 -2.577) 8.169 7.624 ( 2.679 3.373 6.530) 7.823 7.735 ( 3.309 3.744 -5.324) 7.302 7.773 ( -1.000 -0.839 -0.243) 1.328 8.112 ( 2.712 6.208 -1.503) 6.939 8.230 ( -1.931 2.203 -2.230) 3.682 8.302 ( -1.844 -0.605 2.350) 3.048 8.350 ( 1.894 0.553 1.838) 2.696 8.492 ( -2.716 -0.286 0.258) 2.743 8.586 ( -8.004 4.292 1.215) 9.164 8.801 ( -1.298 -2.913 1.267) 3.432 8.843 ( 0.261 0.883 -0.992) 1.353 9.441 ( -2.508 -4.435 -0.601) 5.130 9.774 ( 2.118 -3.919 0.417) 4.475 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 2.197 6.519 -0.168) 6.881 0.859 ( 3.325 2.760 -0.811) 4.397 0.927 ( 4.193 6.576 2.079) 8.071 1.102 ( 7.282 10.031 0.772) 12.419 1.186 ( 0.168 7.982 -1.830) 8.191 1.247 ( -0.297 7.294 0.804) 7.344 1.259 ( -3.120 3.956 2.327) 5.550 1.378 ( -0.879 5.497 -0.651) 5.605 1.495 ( -2.188 8.630 -2.071) 9.141 1.575 ( 3.660 3.941 -4.878) 7.261 1.650 ( 1.491 8.281 1.760) 8.597 1.719 ( -4.289 7.311 -1.225) 8.565 1.829 ( 1.745 2.679 3.644) 4.848 1.896 ( 0.887 1.617 -0.581) 1.934 1.947 ( 1.952 10.896 1.715) 11.201 1.985 ( 0.212 4.815 1.423) 5.026 1.998 ( 3.230 1.603 2.307) 4.281 2.116 ( 1.003 8.535 -0.943) 8.645 2.321 ( -3.539 3.315 2.251) 5.346 2.405 ( 0.998 8.091 -1.496) 8.289 2.544 ( 4.453 3.409 -2.092) 5.986 2.698 ( -0.267 9.618 1.728) 9.775 2.732 ( 0.490 16.843 -2.591) 17.049 2.883 ( 0.931 11.948 -2.809) 12.309 2.965 ( 0.846 8.036 -0.244) 8.084 3.299 ( -1.545 4.612 0.416) 4.882 3.472 ( -4.520 -1.462 4.192) 6.336 3.510 ( -4.020 3.505 -0.647) 5.373 3.590 ( 2.242 -2.888 -0.107) 3.658 3.651 ( -1.177 1.587 -0.745) 2.112 3.902 ( -8.074 4.109 -2.740) 9.464 3.947 ( -1.286 3.765 1.525) 4.261 4.408 ( 3.804 -1.845 -0.324) 4.240 4.932 ( 2.402 -3.051 -0.594) 3.929 5.002 ( -1.587 -1.593 0.778) 2.379 5.168 ( 3.573 -2.862 -0.065) 4.579 5.468 ( 0.283 0.834 -0.142) 0.893 5.512 ( 0.230 -0.724 0.169) 0.778 5.903 ( 5.545 5.817 -0.574) 8.057 6.127 ( -1.296 3.744 0.194) 3.966 6.268 ( -4.332 3.430 0.724) 5.573 6.389 ( -4.760 5.060 -0.485) 6.963 6.567 ( 1.919 -2.933 -3.212) 4.755 6.731 ( 6.196 1.939 3.351) 7.306 6.897 ( -1.944 -3.112 0.322) 3.683 6.957 ( 0.528 2.640 0.376) 2.718 7.059 ( 0.692 -4.493 -1.560) 4.806 7.108 ( 1.672 -0.651 0.420) 1.843 7.215 ( -0.023 9.697 2.243) 9.953 7.227 ( -0.289 1.397 0.778) 1.625 7.356 ( -4.369 2.910 -0.212) 5.254 7.441 ( -5.704 2.110 -2.595) 6.613 7.621 ( 1.696 5.880 -0.685) 6.158 7.668 ( 1.064 2.837 4.685) 5.580 7.743 ( -0.578 -1.838 -0.929) 2.139 7.798 ( 2.489 4.320 -4.491) 6.710 8.130 ( -1.558 6.524 1.330) 6.838 8.214 ( 1.308 3.670 -3.912) 5.522 8.272 ( -0.740 0.406 1.223) 1.486 8.383 ( -1.509 1.382 2.655) 3.352 8.407 ( -2.245 3.902 -0.174) 4.505 8.502 ( -2.246 0.303 1.054) 2.499 8.769 ( -1.527 -2.240 -0.256) 2.723 8.830 ( -1.259 0.202 0.551) 1.389 9.401 ( -1.457 -4.857 -0.696) 5.118 9.804 ( 0.905 -3.875 0.316) 3.992 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 5.586 0.000) 5.586 0.891 ( 0.000 2.925 -0.000) 2.925 0.982 ( 0.000 4.144 -0.000) 4.144 1.177 ( -0.000 6.163 -0.000) 6.163 1.202 ( -0.000 6.517 0.000) 6.517 1.215 ( 0.000 3.551 -0.000) 3.551 1.236 ( -0.000 9.343 -0.000) 9.343 1.400 ( -0.000 6.878 0.000) 6.878 1.450 ( -0.000 10.743 -0.000) 10.743 1.577 ( 0.000 3.066 0.000) 3.066 1.632 ( 0.000 7.445 -0.000) 7.445 1.773 ( 0.000 6.921 -0.000) 6.921 1.811 ( 0.000 8.852 -0.000) 8.852 1.865 ( 0.000 -1.115 -0.000) 1.115 1.979 ( 0.000 -1.400 -0.000) 1.400 1.992 ( 0.000 6.183 0.000) 6.183 2.035 ( 0.000 12.211 0.000) 12.211 2.138 ( 0.000 -1.178 -0.000) 1.178 2.289 ( 0.000 7.970 -0.000) 7.970 2.423 ( 0.000 5.589 -0.000) 5.589 2.588 ( 0.000 0.574 0.000) 0.574 2.692 ( 0.000 10.360 -0.000) 10.360 2.735 ( 0.000 15.820 0.000) 15.820 2.884 ( 0.000 8.716 0.000) 8.716 2.970 ( 0.000 10.314 -0.000) 10.314 3.307 ( -0.000 6.997 0.000) 6.997 3.404 ( 0.000 5.710 -0.000) 5.710 3.482 ( 0.000 0.960 -0.000) 0.960 3.622 ( 0.000 -1.012 0.000) 1.012 3.640 ( 0.000 -0.471 0.000) 0.471 3.788 ( 0.000 8.050 -0.000) 8.050 3.949 ( 0.000 2.708 0.000) 2.708 4.447 ( 0.000 -0.923 -0.000) 0.923 4.949 ( 0.000 -3.695 -0.000) 3.695 4.995 ( 0.000 -2.047 0.000) 2.047 5.208 ( 0.000 -2.803 -0.000) 2.803 5.449 ( 0.000 3.135 -0.000) 3.135 5.520 ( 0.000 -1.166 0.000) 1.166 6.024 ( -0.000 6.625 0.000) 6.625 6.061 ( 0.000 -7.193 -0.000) 7.193 6.227 ( 0.000 14.352 -0.000) 14.352 6.328 ( 0.000 2.187 -0.000) 2.187 6.590 ( 0.000 -2.909 0.000) 2.909 6.800 ( 0.000 0.976 -0.000) 0.976 6.878 ( 0.000 -2.639 0.000) 2.639 6.952 ( 0.000 2.830 -0.000) 2.830 7.065 ( 0.000 -5.053 -0.000) 5.053 7.151 ( 0.000 -2.813 0.000) 2.813 7.224 ( 0.000 1.107 0.000) 1.107 7.248 ( -0.000 3.806 -0.000) 3.806 7.267 ( 0.000 15.024 0.000) 15.024 7.379 ( 0.000 -1.432 -0.000) 1.432 7.641 ( 0.000 6.234 0.000) 6.234 7.675 ( 0.000 2.213 0.000) 2.213 7.739 ( 0.000 -2.464 -0.000) 2.464 7.821 ( 0.000 4.696 -0.000) 4.696 8.107 ( 0.000 7.756 -0.000) 7.756 8.225 ( 0.000 -0.331 -0.000) 0.331 8.305 ( -0.000 2.051 0.000) 2.051 8.306 ( 0.000 7.685 -0.000) 7.685 8.419 ( 0.000 0.446 -0.000) 0.446 8.479 ( 0.000 -0.403 -0.000) 0.403 8.754 ( 0.000 -2.202 -0.000) 2.202 8.815 ( 0.000 0.060 0.000) 0.060 9.387 ( 0.000 -5.019 0.000) 5.019 9.812 ( 0.000 -3.740 -0.000) 3.740 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.000 9.935 0.000) 9.935 0.888 ( 0.000 7.513 0.000) 7.513 1.026 ( 0.000 8.024 0.000) 8.024 1.212 ( 0.000 11.686 0.000) 11.686 1.303 ( 0.000 0.286 0.000) 0.286 1.385 ( 0.000 3.462 0.000) 3.462 1.412 ( 0.000 10.050 0.000) 10.050 1.521 ( 0.000 11.560 0.000) 11.560 1.684 ( 0.000 7.413 0.000) 7.413 1.687 ( 0.000 5.893 0.000) 5.893 1.749 ( 0.000 1.855 0.000) 1.855 1.755 ( 0.000 1.462 0.000) 1.462 1.823 ( 0.000 3.176 0.000) 3.176 1.961 ( 0.000 0.516 0.000) 0.516 1.981 ( 0.000 0.753 0.000) 0.753 2.076 ( 0.000 8.288 0.000) 8.288 2.127 ( 0.000 5.414 0.000) 5.414 2.380 ( 0.000 10.147 0.000) 10.147 2.395 ( 0.000 6.285 0.000) 6.285 2.588 ( 0.000 10.944 0.000) 10.944 2.678 ( 0.000 7.720 0.000) 7.720 2.817 ( 0.000 7.916 0.000) 7.916 3.063 ( 0.000 11.035 0.000) 11.035 3.065 ( 0.000 9.541 0.000) 9.541 3.161 ( 0.000 16.653 0.000) 16.653 3.387 ( 0.000 2.014 0.000) 2.014 3.475 ( 0.000 1.525 0.000) 1.525 3.561 ( 0.000 -3.278 0.000) 3.278 3.614 ( 0.000 1.157 0.000) 1.157 3.781 ( 0.000 3.344 0.000) 3.344 3.971 ( 0.000 3.036 0.000) 3.036 4.129 ( 0.000 -2.667 0.000) 2.667 4.224 ( 0.000 -1.301 0.000) 1.301 4.869 ( 0.000 0.526 0.000) 0.526 5.027 ( 0.000 -4.434 0.000) 4.434 5.047 ( 0.000 1.667 0.000) 1.667 5.367 ( 0.000 5.601 0.000) 5.601 5.431 ( 0.000 -1.457 0.000) 1.457 6.053 ( 0.000 -5.876 0.000) 5.876 6.246 ( 0.000 11.062 0.000) 11.062 6.345 ( 0.000 2.138 0.000) 2.138 6.394 ( 0.000 0.309 0.000) 0.309 6.642 ( 0.000 4.831 0.000) 4.831 6.656 ( 0.000 1.396 0.000) 1.396 6.932 ( 0.000 -5.850 0.000) 5.850 6.941 ( 0.000 -2.503 0.000) 2.503 7.032 ( 0.000 8.524 0.000) 8.524 7.189 ( 0.000 -3.063 0.000) 3.063 7.193 ( 0.000 4.762 0.000) 4.762 7.381 ( 0.000 5.512 0.000) 5.512 7.424 ( 0.000 -3.718 0.000) 3.718 7.586 ( 0.000 -1.282 0.000) 1.282 7.633 ( 0.000 0.034 0.000) 0.034 7.750 ( 0.000 7.702 0.000) 7.702 7.809 ( 0.000 3.679 0.000) 3.679 7.855 ( 0.000 7.083 0.000) 7.083 8.171 ( 0.000 2.037 0.000) 2.037 8.279 ( 0.000 -0.074 0.000) 0.074 8.312 ( 0.000 5.691 0.000) 5.691 8.387 ( 0.000 2.305 0.000) 2.305 8.498 ( 0.000 -0.528 0.000) 0.528 8.697 ( 0.000 -4.395 0.000) 4.395 8.783 ( 0.000 3.464 0.000) 3.464 8.864 ( 0.000 1.604 0.000) 1.604 9.402 ( 0.000 -3.016 0.000) 3.016 9.664 ( 0.000 -4.499 0.000) 4.499 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 2.245 9.182 0.219) 9.455 0.899 ( 1.373 6.918 -0.371) 7.063 1.031 ( 0.707 7.547 0.437) 7.593 1.236 ( 2.636 10.463 -0.364) 10.796 1.305 ( 0.060 0.757 -1.057) 1.302 1.373 ( -1.689 4.585 0.481) 4.909 1.404 ( -0.368 9.215 -0.128) 9.223 1.513 ( -0.856 8.749 -0.818) 8.829 1.648 ( -0.582 8.961 2.008) 9.202 1.708 ( -0.027 4.708 -2.129) 5.167 1.725 ( -0.414 2.114 -0.970) 2.363 1.797 ( 2.101 1.606 0.090) 2.646 1.864 ( 3.501 4.042 1.468) 5.545 1.949 ( -2.178 1.786 1.275) 3.092 1.967 ( -0.867 0.549 -0.392) 1.099 2.067 ( -0.973 4.375 4.004) 6.010 2.139 ( 0.912 5.015 -0.876) 5.172 2.362 ( -2.320 11.967 -1.646) 12.300 2.393 ( 0.680 5.381 1.569) 5.646 2.599 ( 0.933 8.735 -0.567) 8.803 2.636 ( -3.176 7.733 -3.276) 8.978 2.841 ( 1.415 7.713 2.899) 8.360 3.000 ( -3.153 8.048 -1.807) 8.831 3.129 ( 3.093 10.790 -1.724) 11.356 3.171 ( 0.712 15.314 0.411) 15.336 3.392 ( 0.473 3.569 0.508) 3.635 3.502 ( 2.623 1.822 -0.345) 3.212 3.535 ( -1.804 0.681 1.255) 2.301 3.616 ( -0.279 2.581 1.065) 2.806 3.734 ( -3.500 2.511 -0.853) 4.390 3.980 ( 0.363 3.120 -1.214) 3.367 4.100 ( -2.692 0.471 1.054) 2.929 4.274 ( 4.787 -1.777 0.209) 5.111 4.862 ( 0.047 -0.053 -0.359) 0.366 5.002 ( -2.457 -4.134 0.371) 4.823 5.070 ( 2.104 0.086 -0.556) 2.178 5.418 ( 2.511 0.365 -0.239) 2.549 5.462 ( 3.842 2.334 0.163) 4.499 5.987 ( -4.704 -3.077 0.057) 5.621 6.271 ( 1.207 9.569 0.914) 9.688 6.316 ( -0.044 2.272 1.140) 2.542 6.465 ( 3.118 -0.809 -1.504) 3.555 6.635 ( -0.069 0.642 -2.842) 2.915 6.667 ( 1.629 7.247 0.974) 7.491 6.901 ( -3.182 -2.284 2.801) 4.815 6.943 ( 0.652 -5.507 -1.973) 5.886 7.027 ( -0.375 7.303 0.171) 7.314 7.138 ( -2.890 0.141 -1.686) 3.348 7.233 ( 1.651 1.477 1.314) 2.576 7.367 ( -1.341 4.520 -0.087) 4.716 7.397 ( -2.347 -2.709 -0.306) 3.597 7.587 ( -0.087 0.288 -0.373) 0.480 7.620 ( -1.950 -0.675 5.237) 5.629 7.755 ( 0.384 7.493 -0.525) 7.521 7.803 ( 0.164 3.471 -0.114) 3.476 7.860 ( 0.659 6.080 -4.649) 7.682 8.205 ( 2.902 2.129 -0.990) 3.732 8.265 ( -1.048 1.032 0.265) 1.495 8.313 ( -0.728 4.854 2.809) 5.655 8.393 ( 1.122 2.425 -0.146) 2.676 8.485 ( -1.172 -0.128 0.198) 1.196 8.635 ( -4.990 -0.289 -3.234) 5.954 8.768 ( -1.835 0.690 5.992) 6.305 8.866 ( -0.339 1.396 -2.742) 3.096 9.370 ( -2.514 -2.633 -0.873) 3.743 9.690 ( 2.026 -4.553 0.420) 5.001 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 1.198 8.457 -0.088) 8.542 0.939 ( 2.521 5.383 -0.275) 5.950 1.057 ( 1.873 6.384 -0.386) 6.665 1.274 ( -0.254 3.467 2.395) 4.221 1.317 ( -2.368 3.374 -2.024) 4.592 1.334 ( 2.806 6.875 0.004) 7.425 1.399 ( -0.153 8.876 -0.092) 8.878 1.495 ( -0.198 7.226 -0.274) 7.234 1.668 ( 0.750 9.479 -0.270) 9.512 1.690 ( -1.325 4.852 -1.076) 5.143 1.748 ( 3.013 1.685 -0.331) 3.469 1.827 ( 1.407 3.856 -1.113) 4.253 1.865 ( -3.549 3.802 2.594) 5.812 1.930 ( 0.649 1.947 0.110) 2.055 1.982 ( 2.483 -1.157 0.063) 2.740 2.045 ( -2.118 3.078 2.606) 4.556 2.142 ( -0.293 2.066 2.612) 3.343 2.288 ( -4.946 6.853 -3.648) 9.205 2.428 ( 2.185 8.805 2.192) 9.333 2.592 ( -0.493 7.963 -2.330) 8.311 2.620 ( 0.964 6.500 -1.131) 6.668 2.855 ( -0.131 6.054 1.349) 6.204 2.937 ( -3.156 5.759 -1.229) 6.681 3.157 ( -0.151 8.017 -0.951) 8.075 3.180 ( 0.205 14.610 0.199) 14.613 3.409 ( 1.457 5.507 0.380) 5.709 3.522 ( 0.052 6.052 -0.129) 6.054 3.562 ( 2.925 1.892 2.859) 4.507 3.586 ( -2.304 4.351 0.292) 4.932 3.711 ( 1.601 6.069 -2.130) 6.629 3.973 ( -0.722 2.048 -1.843) 2.848 4.038 ( -3.920 6.437 1.846) 7.760 4.374 ( 4.900 -1.489 0.231) 5.127 4.879 ( 0.829 -2.273 -0.915) 2.587 4.955 ( -1.588 -3.090 1.226) 3.684 5.111 ( 2.017 -2.579 -0.662) 3.341 5.425 ( -1.405 -4.044 -0.246) 4.288 5.524 ( 1.839 3.571 -0.196) 4.022 5.942 ( 0.128 -1.721 -0.090) 1.728 6.251 ( -2.717 6.905 0.047) 7.420 6.361 ( 4.063 7.240 2.279) 8.609 6.509 ( 2.335 -1.853 -0.681) 3.058 6.582 ( -4.387 9.183 -3.103) 10.640 6.737 ( 2.885 -0.905 0.018) 3.023 6.865 ( 0.415 -0.068 1.331) 1.396 6.954 ( 0.539 -4.897 -0.779) 4.988 7.026 ( -0.001 5.242 0.374) 5.256 7.080 ( -2.936 -1.496 0.139) 3.298 7.251 ( 0.195 1.238 -0.016) 1.253 7.337 ( -1.748 2.502 -1.308) 3.320 7.360 ( -1.038 -0.994 1.821) 2.320 7.557 ( -2.679 7.121 0.811) 7.651 7.605 ( 0.486 -3.890 1.775) 4.304 7.755 ( -0.613 5.639 1.063) 5.771 7.814 ( 0.371 5.406 0.654) 5.458 7.870 ( 1.009 2.092 -5.457) 5.931 8.226 ( -0.734 1.749 -1.347) 2.326 8.272 ( 1.082 5.136 0.245) 5.254 8.298 ( 0.027 2.217 3.003) 3.733 8.426 ( 1.919 2.968 -1.466) 3.826 8.463 ( -1.135 1.084 1.789) 2.380 8.541 ( -4.176 2.446 -1.753) 5.147 8.736 ( -1.711 -0.308 2.357) 2.929 8.843 ( -1.497 0.990 -0.868) 1.994 9.329 ( -1.520 -2.183 -0.777) 2.771 9.721 ( 1.058 -4.490 0.316) 4.624 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 8.065 0.000) 8.065 0.968 ( 0.000 4.748 -0.000) 4.748 1.081 ( 0.000 5.364 -0.000) 5.364 1.268 ( 0.000 3.093 0.000) 3.093 1.275 ( -0.000 2.646 -0.000) 2.646 1.367 ( 0.000 8.060 -0.000) 8.060 1.409 ( 0.000 8.585 0.000) 8.585 1.515 ( -0.000 4.577 0.000) 4.577 1.635 ( -0.000 7.948 -0.000) 7.948 1.689 ( 0.000 8.496 -0.000) 8.496 1.771 ( 0.000 5.049 -0.000) 5.049 1.840 ( 0.000 0.262 -0.000) 0.262 1.880 ( 0.000 3.933 0.000) 3.933 1.923 ( 0.000 1.485 -0.000) 1.485 1.996 ( -0.000 3.120 -0.000) 3.120 2.008 ( 0.000 -2.400 -0.000) 2.400 2.185 ( -0.000 2.481 -0.000) 2.481 2.193 ( 0.000 5.141 0.000) 5.141 2.454 ( 0.000 7.703 0.000) 7.703 2.592 ( 0.000 9.473 -0.000) 9.473 2.629 ( 0.000 4.470 0.000) 4.470 2.852 ( 0.000 5.104 0.000) 5.104 2.901 ( 0.000 5.717 0.000) 5.717 3.147 ( 0.000 6.766 -0.000) 6.766 3.182 ( -0.000 14.778 0.000) 14.778 3.435 ( 0.000 7.183 -0.000) 7.183 3.502 ( 0.000 3.167 0.000) 3.167 3.563 ( 0.000 4.071 -0.000) 4.071 3.612 ( 0.000 2.788 -0.000) 2.788 3.738 ( 0.000 11.859 0.000) 11.859 3.968 ( 0.000 -0.370 -0.000) 0.370 3.984 ( 0.000 10.721 0.000) 10.721 4.426 ( 0.000 -1.043 -0.000) 1.043 4.873 ( 0.000 -3.923 -0.000) 3.923 4.955 ( 0.000 -1.745 0.000) 1.745 5.133 ( 0.000 -4.385 -0.000) 4.385 5.399 ( 0.000 -4.463 0.000) 4.463 5.539 ( 0.000 2.927 0.000) 2.927 5.953 ( -0.000 -2.976 0.000) 2.976 6.217 ( 0.000 7.739 -0.000) 7.739 6.431 ( -0.000 8.294 -0.000) 8.294 6.506 ( 0.000 12.307 -0.000) 12.307 6.538 ( 0.000 -2.216 0.000) 2.216 6.752 ( 0.000 -3.263 0.000) 3.263 6.898 ( 0.000 2.371 -0.000) 2.371 6.959 ( 0.000 -4.603 -0.000) 4.603 7.007 ( -0.000 2.935 -0.000) 2.935 7.059 ( 0.000 -3.108 0.000) 3.108 7.250 ( 0.000 1.020 -0.000) 1.020 7.315 ( 0.000 2.072 -0.000) 2.072 7.355 ( 0.000 -0.761 -0.000) 0.761 7.530 ( 0.000 10.204 -0.000) 10.204 7.617 ( 0.000 -4.029 -0.000) 4.029 7.743 ( 0.000 4.027 0.000) 4.027 7.816 ( 0.000 6.691 0.000) 6.691 7.879 ( 0.000 -0.052 -0.000) 0.052 8.216 ( 0.000 2.042 -0.000) 2.042 8.271 ( 0.000 8.447 -0.000) 8.447 8.316 ( 0.000 -0.753 -0.000) 0.753 8.445 ( 0.000 3.145 -0.000) 3.145 8.454 ( 0.000 2.582 -0.000) 2.582 8.494 ( 0.000 2.914 -0.000) 2.914 8.720 ( 0.000 -0.646 -0.000) 0.646 8.826 ( 0.000 0.930 -0.000) 0.930 9.314 ( 0.000 -2.082 0.000) 2.082 9.730 ( 0.000 -4.420 -0.000) 4.420 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 9.614 0.000) 9.614 1.034 ( 0.000 6.905 0.000) 6.905 1.160 ( 0.000 5.518 0.000) 5.518 1.297 ( 0.000 -0.650 0.000) 0.650 1.364 ( 0.000 4.218 0.000) 4.218 1.453 ( 0.000 3.090 0.000) 3.090 1.595 ( 0.000 7.384 0.000) 7.384 1.686 ( 0.000 7.157 0.000) 7.157 1.745 ( 0.000 -1.636 0.000) 1.636 1.768 ( 0.000 -0.140 0.000) 0.140 1.772 ( 0.000 3.542 0.000) 3.542 1.849 ( 0.000 7.212 0.000) 7.212 1.915 ( 0.000 4.435 0.000) 4.435 1.954 ( 0.000 -2.167 0.000) 2.167 2.044 ( 0.000 5.583 0.000) 5.583 2.082 ( 0.000 -1.272 0.000) 1.272 2.185 ( 0.000 1.919 0.000) 1.919 2.467 ( 0.000 1.887 0.000) 1.887 2.564 ( 0.000 3.768 0.000) 3.768 2.774 ( 0.000 7.952 0.000) 7.952 2.866 ( 0.000 10.035 0.000) 10.035 2.912 ( 0.000 -2.472 0.000) 2.472 3.152 ( 0.000 4.745 0.000) 4.745 3.249 ( 0.000 7.954 0.000) 7.954 3.362 ( 0.000 2.240 0.000) 2.240 3.450 ( 0.000 3.730 0.000) 3.730 3.591 ( 0.000 11.148 0.000) 11.148 3.629 ( 0.000 0.324 0.000) 0.324 3.653 ( 0.000 10.148 0.000) 10.148 3.881 ( 0.000 5.866 0.000) 5.866 4.004 ( 0.000 1.038 0.000) 1.038 4.130 ( 0.000 3.110 0.000) 3.110 4.233 ( 0.000 2.008 0.000) 2.008 4.865 ( 0.000 -7.097 0.000) 7.097 4.937 ( 0.000 1.685 0.000) 1.685 5.086 ( 0.000 2.182 0.000) 2.182 5.415 ( 0.000 -0.099 0.000) 0.099 5.526 ( 0.000 9.581 0.000) 9.581 5.946 ( 0.000 -4.652 0.000) 4.652 6.341 ( 0.000 1.007 0.000) 1.007 6.395 ( 0.000 2.753 0.000) 2.753 6.408 ( 0.000 0.014 0.000) 0.014 6.725 ( 0.000 4.369 0.000) 4.369 6.777 ( 0.000 8.182 0.000) 8.182 6.824 ( 0.000 -4.871 0.000) 4.871 6.878 ( 0.000 -2.792 0.000) 2.792 7.144 ( 0.000 -1.357 0.000) 1.357 7.165 ( 0.000 4.139 0.000) 4.139 7.322 ( 0.000 7.809 0.000) 7.809 7.379 ( 0.000 0.041 0.000) 0.041 7.414 ( 0.000 -1.230 0.000) 1.230 7.603 ( 0.000 2.541 0.000) 2.541 7.606 ( 0.000 -2.890 0.000) 2.890 7.838 ( 0.000 -1.188 0.000) 1.188 7.884 ( 0.000 5.735 0.000) 5.735 7.958 ( 0.000 3.368 0.000) 3.368 8.201 ( 0.000 1.935 0.000) 1.935 8.329 ( 0.000 4.689 0.000) 4.689 8.412 ( 0.000 1.742 0.000) 1.742 8.443 ( 0.000 5.224 0.000) 5.224 8.488 ( 0.000 -0.614 0.000) 0.614 8.613 ( 0.000 -3.996 0.000) 3.996 8.852 ( 0.000 3.386 0.000) 3.386 8.899 ( 0.000 1.835 0.000) 1.835 9.360 ( 0.000 -1.152 0.000) 1.152 9.575 ( 0.000 -4.458 0.000) 4.458 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.17 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.972 8.816 0.134) 8.870 1.037 ( 0.327 6.516 0.101) 6.525 1.160 ( 0.162 5.463 -0.039) 5.465 1.303 ( 0.363 -0.466 0.006) 0.591 1.356 ( -0.561 3.126 -0.643) 3.241 1.450 ( -0.543 2.705 1.042) 2.949 1.583 ( -1.079 7.684 -0.191) 7.762 1.673 ( -1.264 7.309 0.561) 7.439 1.726 ( -0.086 0.460 -1.862) 1.919 1.751 ( -0.922 0.415 0.176) 1.026 1.814 ( 2.566 1.051 0.350) 2.795 1.834 ( -0.587 5.656 -0.160) 5.689 1.939 ( 1.498 1.432 1.071) 2.332 1.975 ( 0.885 1.367 -0.161) 1.636 2.032 ( -0.226 5.828 -2.940) 6.532 2.085 ( -0.153 0.081 5.123) 5.126 2.156 ( -2.549 1.041 -0.847) 2.881 2.455 ( -2.061 1.407 -3.851) 4.589 2.556 ( -0.652 3.799 2.300) 4.489 2.753 ( -2.427 6.411 -0.841) 6.907 2.792 ( -3.158 5.993 -2.317) 7.159 2.946 ( 0.104 1.992 2.968) 3.577 3.105 ( -3.562 5.732 0.330) 6.756 3.262 ( 0.399 4.492 -0.163) 4.513 3.351 ( -0.760 2.354 0.933) 2.644 3.467 ( 1.353 3.623 0.488) 3.898 3.606 ( -0.164 2.613 -0.406) 2.650 3.630 ( 2.643 11.027 0.574) 11.353 3.724 ( 5.123 8.677 -2.117) 10.297 3.825 ( -3.072 6.349 0.963) 7.119 4.035 ( 1.092 2.838 -0.823) 3.150 4.146 ( 1.471 4.431 0.962) 4.767 4.264 ( 3.772 0.904 0.150) 3.882 4.854 ( -1.132 -5.464 -0.761) 5.632 4.918 ( -1.019 0.644 0.537) 1.320 5.088 ( -0.163 1.447 -0.186) 1.468 5.403 ( -1.069 -0.328 -0.278) 1.152 5.580 ( 3.236 6.860 -0.277) 7.590 5.922 ( -0.770 -1.816 0.138) 1.978 6.352 ( -0.631 1.395 0.180) 1.542 6.381 ( 3.002 2.196 2.391) 4.421 6.481 ( 3.042 0.998 -0.813) 3.303 6.686 ( -0.710 4.786 -1.593) 5.094 6.772 ( -1.721 1.362 -1.572) 2.700 6.834 ( -1.205 -5.226 -2.317) 5.843 6.885 ( 2.524 3.158 2.967) 5.015 7.122 ( -1.915 -0.010 -0.206) 1.927 7.173 ( 0.320 4.343 0.760) 4.420 7.302 ( -1.630 4.793 -0.859) 5.135 7.370 ( -0.868 0.762 -0.344) 1.205 7.400 ( -1.602 0.501 -0.137) 1.684 7.565 ( -2.097 -1.998 2.875) 4.081 7.641 ( 1.537 1.527 1.096) 2.429 7.825 ( -0.616 -1.596 -1.794) 2.479 7.884 ( -0.341 5.569 -0.093) 5.580 7.952 ( -0.526 3.278 -2.401) 4.097 8.228 ( 2.273 1.142 2.470) 3.545 8.322 ( -0.657 5.026 0.066) 5.069 8.426 ( 0.224 1.635 1.228) 2.057 8.436 ( 0.654 5.133 -0.202) 5.178 8.487 ( -0.043 0.339 -0.720) 0.797 8.590 ( -2.130 -3.263 -2.363) 4.558 8.817 ( -3.015 3.222 4.968) 6.645 8.894 ( -0.926 1.352 -3.103) 3.510 9.341 ( -1.490 -0.358 -0.635) 1.659 9.600 ( 2.037 -4.473 0.318) 4.925 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.33 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.494 7.658 -0.051) 7.675 1.049 ( 0.945 5.229 0.248) 5.320 1.169 ( 0.652 4.929 -0.465) 4.994 1.302 ( -0.258 0.515 0.807) 0.992 1.344 ( -1.212 0.878 -1.413) 2.058 1.440 ( 0.108 2.703 2.275) 3.534 1.570 ( 0.040 7.343 -1.225) 7.445 1.639 ( -2.497 5.492 1.100) 6.133 1.732 ( -0.555 0.447 0.851) 1.110 1.760 ( 3.201 1.374 -2.959) 4.571 1.836 ( 0.748 5.082 -0.695) 5.184 1.866 ( 2.690 0.641 0.026) 2.765 1.948 ( -1.841 2.770 1.368) 3.597 1.962 ( -0.566 1.176 -1.115) 1.717 2.035 ( -0.275 7.859 -0.084) 7.865 2.084 ( -2.515 0.592 1.606) 3.042 2.124 ( 2.083 -0.587 3.809) 4.381 2.368 ( -5.701 1.926 -6.979) 9.216 2.545 ( -0.905 2.144 2.712) 3.574 2.721 ( -0.242 4.448 1.292) 4.638 2.756 ( -1.124 4.947 -2.542) 5.674 2.919 ( -2.438 1.024 1.341) 2.965 3.048 ( -2.220 6.743 -0.025) 7.099 3.255 ( -0.884 2.999 0.563) 3.177 3.347 ( 0.247 2.990 0.485) 3.039 3.496 ( 1.804 3.078 0.978) 3.699 3.587 ( -1.746 1.524 -1.424) 2.721 3.705 ( 4.373 10.176 0.420) 11.084 3.724 ( -2.359 9.133 -0.343) 9.439 3.874 ( 4.170 5.882 0.215) 7.213 4.029 ( -0.343 6.149 -0.780) 6.208 4.176 ( 1.173 7.059 0.575) 7.179 4.361 ( 5.390 0.662 0.289) 5.439 4.822 ( -2.043 -4.329 -0.450) 4.808 4.921 ( 1.176 0.849 0.597) 1.569 5.076 ( -1.044 -1.011 -0.315) 1.487 5.369 ( -2.308 -1.127 -0.309) 2.587 5.601 ( -0.084 2.877 -0.297) 2.893 5.942 ( 1.670 2.871 -0.181) 3.326 6.328 ( -1.899 2.216 -0.749) 3.012 6.460 ( 4.013 0.030 3.801) 5.527 6.521 ( 2.869 3.822 -0.666) 4.825 6.696 ( -3.025 1.406 -2.245) 4.021 6.737 ( 1.727 2.856 -0.640) 3.398 6.820 ( 1.222 -4.803 -0.883) 5.034 6.939 ( 2.332 3.931 0.639) 4.616 7.065 ( -4.292 0.170 -0.236) 4.302 7.172 ( -0.492 7.197 0.383) 7.224 7.277 ( -0.734 1.947 -0.299) 2.102 7.346 ( -1.452 0.270 -1.399) 2.035 7.367 ( -1.557 1.030 1.417) 2.344 7.548 ( 0.620 -1.374 2.863) 3.235 7.659 ( 0.241 2.550 0.120) 2.564 7.814 ( -1.412 -3.745 -0.597) 4.047 7.863 ( -1.148 4.470 -0.161) 4.618 7.938 ( -0.441 4.284 -2.593) 5.027 8.274 ( 1.990 0.005 2.564) 3.246 8.311 ( -0.373 5.774 -0.142) 5.788 8.420 ( -0.124 5.164 0.472) 5.187 8.473 ( 1.964 2.202 0.846) 3.070 8.482 ( -0.475 1.060 -0.834) 1.430 8.544 ( -1.912 -1.852 -2.753) 3.830 8.769 ( -2.355 2.937 3.371) 5.053 8.863 ( -1.597 0.923 -1.616) 2.452 9.316 ( -0.954 0.747 -0.584) 1.345 9.632 ( 1.152 -4.432 0.244) 4.586 ======================= Grid point 31 (20/70) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 7.185 0.000) 7.185 1.062 ( 0.000 4.301 -0.000) 4.301 1.176 ( 0.000 4.341 -0.000) 4.341 1.304 ( 0.000 0.768 -0.000) 0.768 1.319 ( 0.000 1.878 0.000) 1.878 1.453 ( 0.000 1.673 -0.000) 1.673 1.587 ( -0.000 7.870 0.000) 7.870 1.592 ( 0.000 3.263 -0.000) 3.263 1.726 ( 0.000 0.742 -0.000) 0.742 1.808 ( 0.000 0.938 -0.000) 0.938 1.849 ( 0.000 5.270 -0.000) 5.270 1.889 ( 0.000 -1.613 -0.000) 1.613 1.911 ( 0.000 6.047 -0.000) 6.047 1.989 ( 0.000 -0.491 -0.000) 0.491 2.001 ( -0.000 6.136 0.000) 6.136 2.041 ( 0.000 2.731 0.000) 2.731 2.191 ( -0.000 -0.173 -0.000) 0.173 2.278 ( 0.000 3.742 -0.000) 3.742 2.535 ( 0.000 0.968 0.000) 0.968 2.728 ( 0.000 2.834 0.000) 2.834 2.740 ( 0.000 4.727 -0.000) 4.727 2.890 ( 0.000 0.235 0.000) 0.235 3.027 ( 0.000 7.412 0.000) 7.412 3.245 ( 0.000 3.387 -0.000) 3.387 3.351 ( 0.000 3.395 -0.000) 3.395 3.540 ( 0.000 1.478 0.000) 1.478 3.541 ( -0.000 2.358 -0.000) 2.358 3.699 ( 0.000 10.553 -0.000) 10.553 3.760 ( 0.000 10.615 0.000) 10.615 3.896 ( 0.000 -2.089 -0.000) 2.089 4.041 ( 0.000 11.607 -0.000) 11.607 4.185 ( 0.000 9.079 -0.000) 9.079 4.421 ( 0.000 0.998 -0.000) 0.998 4.796 ( 0.000 -3.818 -0.000) 3.818 4.940 ( 0.000 0.564 0.000) 0.564 5.061 ( 0.000 -2.487 -0.000) 2.487 5.341 ( 0.000 -0.953 0.000) 0.953 5.600 ( -0.000 2.084 0.000) 2.084 5.957 ( -0.000 3.497 0.000) 3.497 6.305 ( 0.000 2.309 -0.000) 2.309 6.503 ( 0.000 -1.299 -0.000) 1.299 6.580 ( -0.000 5.618 -0.000) 5.618 6.633 ( 0.000 0.323 0.000) 0.323 6.751 ( 0.000 1.127 0.000) 1.127 6.870 ( 0.000 0.705 -0.000) 0.705 6.973 ( 0.000 -2.144 -0.000) 2.144 6.985 ( -0.000 3.785 -0.000) 3.785 7.165 ( 0.000 8.098 0.000) 8.098 7.273 ( 0.000 1.984 -0.000) 1.984 7.329 ( 0.000 0.301 -0.000) 0.301 7.349 ( 0.000 -0.326 -0.000) 0.326 7.577 ( 0.000 0.036 -0.000) 0.036 7.651 ( 0.000 2.306 0.000) 2.306 7.782 ( 0.000 -2.877 0.000) 2.877 7.859 ( 0.000 1.811 -0.000) 1.811 7.932 ( 0.000 4.977 -0.000) 4.977 8.297 ( 0.000 -0.493 0.000) 0.493 8.308 ( 0.000 6.117 -0.000) 6.117 8.422 ( 0.000 6.167 0.000) 6.167 8.468 ( 0.000 0.556 -0.000) 0.556 8.498 ( -0.000 1.867 0.000) 1.867 8.525 ( 0.000 -0.781 -0.000) 0.781 8.746 ( 0.000 2.870 -0.000) 2.870 8.846 ( 0.000 0.910 0.000) 0.910 9.306 ( 0.000 1.119 0.000) 1.119 9.643 ( 0.000 -4.400 -0.000) 4.400 ======================= Grid point 35 (21/70) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 4.027 0.000) 4.027 1.142 ( 0.000 3.710 0.000) 3.710 1.243 ( 0.000 2.746 0.000) 2.746 1.284 ( 0.000 -0.575 0.000) 0.575 1.427 ( 0.000 3.654 0.000) 3.654 1.493 ( 0.000 1.114 0.000) 1.114 1.681 ( 0.000 1.538 0.000) 1.538 1.705 ( 0.000 -2.379 0.000) 2.379 1.731 ( 0.000 -1.674 0.000) 1.674 1.833 ( 0.000 4.966 0.000) 4.966 1.838 ( 0.000 1.215 0.000) 1.215 1.870 ( 0.000 -2.461 0.000) 2.461 1.962 ( 0.000 5.667 0.000) 5.667 1.982 ( 0.000 1.757 0.000) 1.757 2.112 ( 0.000 3.492 0.000) 3.492 2.122 ( 0.000 1.548 0.000) 1.548 2.274 ( 0.000 6.989 0.000) 6.989 2.475 ( 0.000 -0.240 0.000) 0.240 2.568 ( 0.000 -2.409 0.000) 2.409 2.746 ( 0.000 -10.542 0.000) 10.542 2.910 ( 0.000 5.267 0.000) 5.267 3.002 ( 0.000 3.699 0.000) 3.699 3.277 ( 0.000 5.496 0.000) 5.496 3.348 ( 0.000 1.361 0.000) 1.361 3.382 ( 0.000 1.612 0.000) 1.612 3.511 ( 0.000 2.085 0.000) 2.085 3.669 ( 0.000 4.735 0.000) 4.735 3.803 ( 0.000 8.897 0.000) 8.897 3.825 ( 0.000 5.853 0.000) 5.853 3.972 ( 0.000 3.005 0.000) 3.005 4.055 ( 0.000 5.064 0.000) 5.064 4.224 ( 0.000 4.976 0.000) 4.976 4.285 ( 0.000 3.008 0.000) 3.008 4.666 ( 0.000 -11.028 0.000) 11.028 5.028 ( 0.000 5.599 0.000) 5.599 5.129 ( 0.000 1.973 0.000) 1.973 5.433 ( 0.000 2.088 0.000) 2.088 5.666 ( 0.000 1.752 0.000) 1.752 5.913 ( 0.000 3.439 0.000) 3.439 6.301 ( 0.000 -4.157 0.000) 4.157 6.444 ( 0.000 3.171 0.000) 3.171 6.448 ( 0.000 2.620 0.000) 2.620 6.745 ( 0.000 -3.312 0.000) 3.312 6.766 ( 0.000 -4.507 0.000) 4.507 6.823 ( 0.000 5.450 0.000) 5.450 6.958 ( 0.000 4.849 0.000) 4.849 7.150 ( 0.000 2.694 0.000) 2.694 7.217 ( 0.000 1.994 0.000) 1.994 7.378 ( 0.000 -2.091 0.000) 2.091 7.408 ( 0.000 3.586 0.000) 3.586 7.484 ( 0.000 6.875 0.000) 6.875 7.523 ( 0.000 -5.161 0.000) 5.161 7.642 ( 0.000 0.904 0.000) 0.904 7.771 ( 0.000 -5.026 0.000) 5.026 7.973 ( 0.000 3.364 0.000) 3.364 8.005 ( 0.000 1.645 0.000) 1.645 8.259 ( 0.000 3.891 0.000) 3.891 8.425 ( 0.000 3.858 0.000) 3.858 8.430 ( 0.000 0.569 0.000) 0.569 8.475 ( 0.000 -0.086 0.000) 0.086 8.528 ( 0.000 2.944 0.000) 2.944 8.539 ( 0.000 -3.651 0.000) 3.651 8.910 ( 0.000 2.334 0.000) 2.334 8.932 ( 0.000 1.341 0.000) 1.341 9.356 ( 0.000 0.619 0.000) 0.619 9.493 ( 0.000 -3.782 0.000) 3.782 ======================= Grid point 36 (22/70) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -0.326 3.464 -0.163) 3.484 1.137 ( -0.492 3.360 0.129) 3.398 1.246 ( 0.293 2.965 -0.112) 2.981 1.291 ( 0.629 -0.689 0.080) 0.936 1.413 ( -1.455 3.699 0.199) 3.980 1.482 ( -0.903 1.115 0.009) 1.435 1.676 ( -1.240 0.495 -0.813) 1.563 1.699 ( -2.194 -0.851 0.615) 2.432 1.712 ( 1.008 -1.214 2.182) 2.693 1.829 ( -0.366 2.620 -0.816) 2.768 1.851 ( 0.949 1.126 -0.865) 1.708 1.894 ( 1.542 -0.482 -0.299) 1.643 1.896 ( -2.334 1.972 0.480) 3.093 2.041 ( 2.448 3.609 -0.641) 4.408 2.098 ( -1.612 1.015 -0.171) 1.913 2.126 ( 0.759 3.338 0.724) 3.499 2.255 ( -1.738 7.800 0.416) 8.002 2.459 ( -1.874 -0.137 -4.227) 4.626 2.561 ( -0.897 -2.233 2.621) 3.558 2.715 ( -2.244 -8.163 -0.098) 8.466 2.889 ( -2.302 4.801 -0.397) 5.339 2.995 ( -1.527 2.218 0.760) 2.798 3.241 ( -3.290 6.218 0.222) 7.038 3.309 ( -2.450 0.278 0.919) 2.631 3.378 ( -0.268 1.897 -0.055) 1.916 3.524 ( 1.008 1.716 0.962) 2.211 3.648 ( -1.787 3.113 -0.993) 3.724 3.814 ( -0.225 4.581 0.063) 4.587 3.869 ( 3.995 6.673 -1.679) 7.957 3.949 ( -0.610 5.215 1.671) 5.510 4.115 ( 3.829 5.600 -0.940) 6.849 4.247 ( 2.231 4.415 2.003) 5.336 4.311 ( 3.751 3.882 -1.301) 5.552 4.694 ( 2.270 -8.705 0.041) 8.996 4.991 ( -2.300 4.836 -0.600) 5.388 5.117 ( -1.848 1.181 0.472) 2.243 5.421 ( -1.296 2.287 -0.152) 2.632 5.647 ( -2.077 -0.816 -0.468) 2.280 5.966 ( 5.204 6.303 -0.183) 8.176 6.328 ( 2.076 -3.226 1.589) 4.153 6.442 ( 0.559 3.735 0.248) 3.784 6.504 ( 4.082 1.673 0.414) 4.431 6.724 ( -2.218 -2.477 -1.149) 3.518 6.734 ( -1.825 -4.388 -0.793) 4.818 6.815 ( -0.289 5.500 0.091) 5.509 6.984 ( 2.261 3.832 0.021) 4.449 7.138 ( -1.360 2.580 0.021) 2.916 7.221 ( 0.518 1.574 0.980) 1.925 7.343 ( -2.517 -0.848 -1.324) 2.968 7.403 ( -0.691 3.365 -1.267) 3.661 7.472 ( -2.853 2.288 1.099) 3.819 7.518 ( 0.835 -0.032 1.348) 1.586 7.657 ( 1.140 -0.017 0.776) 1.379 7.753 ( -1.556 -5.142 -2.564) 5.952 7.972 ( -0.565 3.386 -0.032) 3.433 8.000 ( -0.167 1.791 -0.237) 1.814 8.272 ( 1.065 3.271 1.932) 3.945 8.419 ( -0.370 3.481 0.997) 3.640 8.444 ( 1.204 1.028 -0.311) 1.614 8.481 ( 0.752 0.464 -1.146) 1.448 8.520 ( -1.040 -1.755 -1.253) 2.394 8.535 ( -0.188 1.313 0.634) 1.470 8.874 ( -3.034 2.374 2.994) 4.879 8.915 ( -1.788 0.729 -2.258) 2.971 9.353 ( -0.137 1.431 -0.347) 1.479 9.517 ( 1.988 -3.898 0.102) 4.377 ======================= Grid point 37 (23/70) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -0.533 2.347 -0.326) 2.429 1.127 ( -0.530 2.327 0.332) 2.409 1.252 ( 0.355 3.055 -0.153) 3.079 1.302 ( 0.403 -0.484 0.227) 0.669 1.382 ( -1.506 3.715 -0.083) 4.009 1.469 ( -0.315 1.094 0.614) 1.293 1.643 ( -1.417 -0.233 -0.744) 1.617 1.664 ( -1.681 -1.389 0.303) 2.202 1.741 ( 1.300 1.745 2.008) 2.961 1.823 ( 0.408 1.546 -2.004) 2.564 1.862 ( 0.046 0.757 -1.208) 1.426 1.874 ( -0.234 -0.946 0.453) 1.074 1.932 ( 2.197 -0.888 0.492) 2.421 2.047 ( -3.525 -2.538 0.283) 4.352 2.063 ( 0.094 6.149 0.072) 6.150 2.166 ( 3.180 3.587 2.119) 5.242 2.223 ( -1.360 9.138 0.106) 9.239 2.397 ( -3.452 1.574 -6.301) 7.355 2.538 ( -1.851 -2.229 3.550) 4.582 2.688 ( -0.737 -6.369 0.634) 6.443 2.831 ( -3.017 3.426 -1.275) 4.740 2.943 ( -3.254 1.093 0.253) 3.442 3.187 ( -1.848 6.199 -0.026) 6.468 3.283 ( -0.773 0.070 1.020) 1.282 3.380 ( 0.506 1.752 0.164) 1.831 3.545 ( 1.136 1.794 1.594) 2.655 3.611 ( -1.926 1.390 -1.455) 2.785 3.804 ( -0.680 -1.758 -0.100) 1.888 3.906 ( 0.354 8.119 -0.359) 8.135 3.952 ( 0.016 5.417 0.247) 5.423 4.189 ( 4.339 7.502 -0.178) 8.669 4.298 ( 2.194 4.728 0.479) 5.234 4.411 ( 5.736 4.371 -0.351) 7.220 4.725 ( 0.662 -5.085 0.095) 5.129 4.974 ( 0.321 3.702 -0.342) 3.732 5.069 ( -2.583 0.215 0.345) 2.615 5.386 ( -2.123 2.635 -0.087) 3.385 5.611 ( -1.284 -1.683 -0.342) 2.144 6.051 ( 2.808 7.177 -0.118) 7.708 6.346 ( -0.894 -0.702 -0.494) 1.239 6.460 ( 1.600 0.833 2.430) 3.027 6.580 ( 3.721 2.614 0.752) 4.609 6.687 ( -1.807 -2.232 -2.963) 4.126 6.707 ( -1.074 -3.743 -0.102) 3.896 6.849 ( 4.716 5.598 0.763) 7.359 7.024 ( 1.525 3.209 -0.578) 3.600 7.089 ( -4.080 2.667 -0.130) 4.876 7.236 ( 0.585 0.665 1.142) 1.446 7.310 ( -0.513 -0.621 -0.604) 1.007 7.384 ( -0.979 4.343 -2.499) 5.105 7.406 ( -3.411 1.493 2.694) 4.595 7.549 ( 2.278 1.618 1.130) 3.014 7.670 ( -0.321 -0.943 -0.174) 1.011 7.714 ( -2.104 -5.560 -1.967) 6.262 7.945 ( -1.714 3.757 0.130) 4.131 8.003 ( 0.286 2.261 -0.468) 2.326 8.295 ( 1.050 2.216 2.041) 3.190 8.416 ( -0.051 3.871 0.139) 3.873 8.467 ( 0.878 0.824 0.317) 1.245 8.493 ( -0.708 -1.259 -0.366) 1.490 8.500 ( 0.476 -0.374 -1.958) 2.049 8.535 ( 0.260 2.882 0.467) 2.931 8.823 ( -2.322 2.273 2.007) 3.819 8.875 ( -1.820 0.219 -1.195) 2.189 9.350 ( -0.129 2.500 -0.354) 2.528 9.549 ( 1.159 -4.017 0.085) 4.182 ======================= Grid point 38 (24/70) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.000 1.906 -0.000) 1.906 1.122 ( 0.000 1.592 0.000) 1.592 1.256 ( 0.000 3.014 0.000) 3.014 1.306 ( 0.000 -0.400 -0.000) 0.400 1.367 ( 0.000 3.845 0.000) 3.845 1.469 ( 0.000 0.627 0.000) 0.627 1.631 ( 0.000 0.427 -0.000) 0.427 1.644 ( -0.000 -1.692 0.000) 1.692 1.756 ( -0.000 2.978 -0.000) 2.978 1.834 ( 0.000 1.418 -0.000) 1.418 1.855 ( 0.000 -1.369 -0.000) 1.369 1.873 ( -0.000 -1.659 0.000) 1.659 1.972 ( 0.000 -0.778 -0.000) 0.778 1.991 ( -0.000 -2.934 0.000) 2.934 2.061 ( 0.000 7.325 -0.000) 7.325 2.207 ( -0.000 7.740 -0.000) 7.740 2.215 ( 0.000 4.148 0.000) 4.148 2.351 ( 0.000 3.664 -0.000) 3.664 2.516 ( 0.000 -2.553 0.000) 2.553 2.681 ( 0.000 -6.200 -0.000) 6.200 2.800 ( 0.000 2.475 -0.000) 2.475 2.907 ( 0.000 0.941 0.000) 0.941 3.171 ( -0.000 6.331 0.000) 6.331 3.276 ( 0.000 0.046 -0.000) 0.046 3.388 ( 0.000 1.442 -0.000) 1.442 3.570 ( -0.000 0.681 -0.000) 0.681 3.578 ( 0.000 2.516 0.000) 2.516 3.796 ( -0.000 -6.090 0.000) 6.090 3.907 ( 0.000 8.721 -0.000) 8.721 3.951 ( 0.000 7.740 -0.000) 7.740 4.239 ( 0.000 7.394 -0.000) 7.394 4.319 ( 0.000 4.332 0.000) 4.332 4.475 ( 0.000 4.262 -0.000) 4.262 4.726 ( 0.000 -3.340 -0.000) 3.340 4.981 ( 0.000 3.294 0.000) 3.294 5.042 ( 0.000 0.417 -0.000) 0.417 5.361 ( 0.000 2.748 0.000) 2.748 5.599 ( -0.000 -2.022 0.000) 2.022 6.073 ( -0.000 7.374 0.000) 7.374 6.328 ( 0.000 0.224 0.000) 0.224 6.486 ( 0.000 -0.406 -0.000) 0.406 6.625 ( -0.000 -1.199 -0.000) 1.199 6.659 ( 0.000 2.663 0.000) 2.663 6.693 ( -0.000 -3.390 -0.000) 3.390 6.960 ( -0.000 0.855 -0.000) 0.855 6.987 ( 0.000 7.847 0.000) 7.847 7.045 ( -0.000 1.862 -0.000) 1.862 7.240 ( 0.000 0.392 0.000) 0.392 7.313 ( -0.000 -1.925 -0.000) 1.925 7.361 ( 0.000 4.423 0.000) 4.423 7.380 ( 0.000 4.078 -0.000) 4.078 7.599 ( -0.000 1.490 -0.000) 1.490 7.634 ( 0.000 -3.171 0.000) 3.171 7.695 ( 0.000 -4.132 0.000) 4.132 7.928 ( 0.000 3.954 -0.000) 3.954 8.006 ( 0.000 2.400 -0.000) 2.400 8.308 ( 0.000 1.666 0.000) 1.666 8.416 ( -0.000 3.950 -0.000) 3.950 8.469 ( -0.000 -1.084 0.000) 1.084 8.491 ( 0.000 0.916 0.000) 0.916 8.502 ( -0.000 0.251 -0.000) 0.251 8.541 ( 0.000 2.464 -0.000) 2.464 8.801 ( 0.000 2.296 -0.000) 2.296 8.856 ( 0.000 0.104 0.000) 0.104 9.348 ( 0.000 2.886 0.000) 2.886 9.560 ( 0.000 -4.055 -0.000) 4.055 ======================= Grid point 42 (25/70) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 1.034 0.000) 1.034 1.178 ( 0.000 0.220 0.000) 0.220 1.267 ( 0.000 0.229 0.000) 0.229 1.273 ( 0.000 -0.540 0.000) 0.540 1.507 ( 0.000 2.983 0.000) 2.983 1.515 ( 0.000 1.207 0.000) 1.207 1.669 ( 0.000 -0.606 0.000) 0.606 1.684 ( 0.000 -0.672 0.000) 0.672 1.697 ( 0.000 -0.370 0.000) 0.370 1.758 ( 0.000 -4.809 0.000) 4.809 1.899 ( 0.000 2.170 0.000) 2.170 1.912 ( 0.000 1.346 0.000) 1.346 2.013 ( 0.000 2.029 0.000) 2.029 2.043 ( 0.000 0.579 0.000) 0.579 2.157 ( 0.000 2.917 0.000) 2.917 2.177 ( 0.000 1.918 0.000) 1.918 2.404 ( 0.000 5.604 0.000) 5.604 2.473 ( 0.000 0.212 0.000) 0.212 2.501 ( 0.000 -3.445 0.000) 3.445 2.557 ( 0.000 -7.514 0.000) 7.514 2.992 ( 0.000 3.062 0.000) 3.062 3.029 ( 0.000 -0.538 0.000) 0.538 3.323 ( 0.000 0.435 0.000) 0.435 3.336 ( 0.000 -1.200 0.000) 1.200 3.455 ( 0.000 4.582 0.000) 4.582 3.519 ( 0.000 -1.487 0.000) 1.487 3.785 ( 0.000 5.666 0.000) 5.666 3.859 ( 0.000 -1.419 0.000) 1.419 3.940 ( 0.000 4.646 0.000) 4.646 3.994 ( 0.000 -0.828 0.000) 0.828 4.192 ( 0.000 7.456 0.000) 7.456 4.278 ( 0.000 -0.294 0.000) 0.294 4.348 ( 0.000 3.559 0.000) 3.559 4.463 ( 0.000 -8.824 0.000) 8.824 5.123 ( 0.000 3.410 0.000) 3.410 5.153 ( 0.000 0.173 0.000) 0.173 5.500 ( 0.000 4.687 0.000) 4.687 5.606 ( 0.000 -5.488 0.000) 5.488 6.053 ( 0.000 8.342 0.000) 8.342 6.199 ( 0.000 -6.287 0.000) 6.287 6.495 ( 0.000 1.871 0.000) 1.871 6.500 ( 0.000 1.771 0.000) 1.771 6.691 ( 0.000 -2.399 0.000) 2.399 6.691 ( 0.000 -1.990 0.000) 1.990 6.925 ( 0.000 4.425 0.000) 4.425 6.984 ( 0.000 -1.342 0.000) 1.342 7.250 ( 0.000 6.274 0.000) 6.274 7.263 ( 0.000 2.769 0.000) 2.769 7.330 ( 0.000 -2.622 0.000) 2.622 7.389 ( 0.000 -6.287 0.000) 6.287 7.518 ( 0.000 5.405 0.000) 5.405 7.595 ( 0.000 4.389 0.000) 4.389 7.623 ( 0.000 -3.696 0.000) 3.696 7.668 ( 0.000 -4.243 0.000) 4.243 8.018 ( 0.000 1.233 0.000) 1.233 8.025 ( 0.000 0.396 0.000) 0.396 8.346 ( 0.000 4.661 0.000) 4.661 8.426 ( 0.000 -2.736 0.000) 2.736 8.442 ( 0.000 0.802 0.000) 0.802 8.470 ( 0.000 -2.418 0.000) 2.418 8.522 ( 0.000 2.722 0.000) 2.722 8.554 ( 0.000 -0.270 0.000) 0.270 8.942 ( 0.000 0.955 0.000) 0.955 8.948 ( 0.000 0.290 0.000) 0.290 9.381 ( 0.000 1.876 0.000) 1.876 9.428 ( 0.000 -2.844 0.000) 2.844 ======================= Grid point 43 (26/70) ======================= q-point: ( 0.17 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.027 0.848 -0.164) 1.342 1.167 ( -1.072 0.040 0.019) 1.073 1.272 ( 0.460 0.276 -0.155) 0.559 1.278 ( 0.525 -0.557 -0.009) 0.765 1.495 ( -1.165 3.213 0.031) 3.417 1.509 ( -0.682 1.286 -0.280) 1.482 1.655 ( -1.357 -0.399 0.571) 1.525 1.673 ( -1.810 -1.373 0.729) 2.386 1.704 ( 1.666 0.185 0.479) 1.744 1.760 ( 0.301 -4.641 -0.618) 4.692 1.892 ( -0.341 1.896 -0.294) 1.948 1.914 ( -0.041 0.102 -0.150) 0.186 1.967 ( -3.192 4.269 0.517) 5.356 2.042 ( -1.771 -2.885 0.005) 3.386 2.159 ( 0.728 4.144 -0.388) 4.226 2.189 ( 1.131 1.625 -0.372) 2.015 2.394 ( -0.810 6.064 1.274) 6.250 2.466 ( -0.905 1.118 -1.376) 1.990 2.497 ( -0.392 -3.696 0.069) 3.717 2.550 ( -0.629 -7.206 -0.185) 7.236 2.967 ( -2.805 3.048 -0.013) 4.142 3.007 ( -2.565 -0.906 0.263) 2.733 3.301 ( -2.090 0.474 -1.349) 2.532 3.303 ( -2.384 -0.256 -0.640) 2.482 3.446 ( -0.480 4.572 1.206) 4.753 3.519 ( 0.302 -2.231 1.221) 2.561 3.735 ( -4.369 4.999 -0.091) 6.640 3.818 ( -4.112 -2.835 0.194) 4.999 3.978 ( 3.054 3.659 -0.816) 4.835 4.008 ( 1.158 0.698 0.122) 1.358 4.233 ( 3.556 5.270 -0.167) 6.359 4.290 ( 2.250 -0.252 1.349) 2.636 4.406 ( 5.580 5.534 -0.921) 7.913 4.533 ( 5.561 -7.447 -0.046) 9.295 5.080 ( -3.190 3.643 -0.410) 4.860 5.123 ( -2.970 -0.783 0.163) 3.075 5.490 ( -1.077 4.506 0.166) 4.636 5.584 ( -1.826 -4.617 -0.079) 4.966 6.113 ( 4.953 7.461 -0.341) 8.962 6.241 ( 3.416 -5.524 0.384) 6.506 6.515 ( 1.083 3.198 1.348) 3.635 6.538 ( 4.201 1.124 0.713) 4.407 6.661 ( -2.575 -2.268 -0.162) 3.435 6.670 ( -1.765 -2.547 -1.158) 3.308 6.925 ( 0.457 5.011 0.457) 5.053 6.997 ( 1.353 -1.981 0.645) 2.484 7.224 ( -2.025 4.717 -1.665) 5.397 7.262 ( -0.860 2.365 0.823) 2.647 7.310 ( -1.290 -1.250 -1.016) 2.064 7.385 ( -0.766 -5.715 1.764) 6.029 7.508 ( -0.904 5.638 -1.765) 5.977 7.597 ( 0.218 3.952 0.365) 3.975 7.621 ( -0.398 -4.867 -0.470) 4.906 7.658 ( -0.765 -3.013 -0.828) 3.217 8.018 ( -0.301 1.258 0.033) 1.294 8.024 ( 0.083 0.549 0.085) 0.562 8.348 ( 0.157 4.213 0.944) 4.320 8.423 ( -0.210 -2.778 -0.038) 2.786 8.453 ( 0.923 0.373 -0.359) 1.058 8.470 ( 0.208 -1.471 -0.176) 1.495 8.526 ( 0.339 2.711 0.124) 2.734 8.557 ( 0.233 -0.257 0.213) 0.407 8.909 ( -2.935 1.160 1.194) 3.375 8.921 ( -2.547 -0.154 -0.628) 2.628 9.392 ( 0.974 2.468 -0.217) 2.662 9.448 ( 1.673 -3.178 -0.106) 3.593 ======================= Grid point 44 (27/70) ======================= q-point: ( 0.33 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -1.168 0.439 -0.259) 1.274 1.143 ( -1.292 -0.264 0.194) 1.332 1.280 ( 0.294 0.374 -0.106) 0.488 1.288 ( 0.434 -0.668 0.022) 0.797 1.470 ( -1.273 3.616 0.059) 3.834 1.493 ( -0.827 0.799 -0.260) 1.179 1.630 ( -1.104 0.083 0.569) 1.245 1.640 ( -1.509 -0.696 0.245) 1.680 1.744 ( 2.100 -0.951 0.675) 2.402 1.772 ( 1.154 -3.675 -0.853) 3.945 1.882 ( -1.093 1.949 -0.593) 2.312 1.906 ( -0.768 0.768 0.105) 1.092 1.926 ( -0.445 1.179 0.236) 1.282 1.983 ( -3.514 -3.493 0.607) 4.992 2.178 ( 0.888 4.675 -0.095) 4.760 2.219 ( 2.006 0.831 0.088) 2.174 2.383 ( -0.467 7.194 0.949) 7.271 2.436 ( -1.703 2.458 -3.210) 4.387 2.481 ( -1.606 -3.187 1.880) 4.034 2.539 ( -0.409 -7.795 -0.386) 7.816 2.898 ( -3.642 3.142 -0.322) 4.821 2.943 ( -3.445 -1.214 0.119) 3.654 3.261 ( -1.219 1.514 -1.127) 2.247 3.276 ( -0.917 -0.478 -0.103) 1.039 3.443 ( -0.164 4.629 1.024) 4.744 3.533 ( 0.717 -3.362 1.255) 3.660 3.659 ( -2.953 3.349 -0.222) 4.470 3.731 ( -4.197 -4.025 0.054) 5.816 4.020 ( 1.332 3.318 -0.444) 3.603 4.034 ( 1.509 1.966 -0.413) 2.512 4.301 ( 3.210 3.993 0.227) 5.128 4.344 ( 2.169 -0.100 0.563) 2.243 4.516 ( 5.255 5.740 -0.443) 7.794 4.625 ( 3.549 -5.227 -0.043) 6.318 5.041 ( -0.557 2.747 -0.286) 2.818 5.072 ( -1.833 -0.376 0.164) 1.878 5.460 ( -1.894 4.576 0.107) 4.953 5.550 ( -1.624 -4.176 -0.169) 4.484 6.189 ( 2.639 6.341 0.539) 6.890 6.294 ( 1.729 -4.288 0.789) 4.690 6.508 ( -1.565 3.854 0.280) 4.169 6.597 ( -2.864 -4.795 -1.074) 5.688 6.632 ( 3.985 2.279 0.306) 4.600 6.672 ( 1.754 -1.637 -0.536) 2.459 6.957 ( 2.859 4.989 0.831) 5.810 7.031 ( 1.803 -2.114 0.631) 2.849 7.176 ( -2.827 4.935 -0.895) 5.758 7.236 ( -1.314 -0.936 -0.235) 1.630 7.295 ( -0.406 0.798 0.235) 0.925 7.367 ( -1.123 -4.671 1.439) 5.016 7.490 ( -0.521 5.994 -1.826) 6.288 7.598 ( -0.463 0.433 -0.838) 1.051 7.608 ( -0.220 -3.254 -0.294) 3.274 7.643 ( -0.974 -1.626 -0.121) 1.899 8.005 ( -0.792 2.180 0.102) 2.321 8.026 ( 0.055 0.073 0.006) 0.092 8.353 ( 0.192 3.322 0.941) 3.457 8.417 ( -0.394 -2.943 -0.526) 3.015 8.467 ( 0.469 0.654 0.664) 1.043 8.481 ( 0.819 -0.552 -0.812) 1.278 8.535 ( 0.518 2.454 0.175) 2.514 8.563 ( 0.333 -0.119 0.220) 0.417 8.856 ( -2.299 1.166 0.778) 2.693 8.872 ( -2.142 -0.462 -0.237) 2.204 9.408 ( 0.552 3.209 -0.213) 3.263 9.474 ( 0.980 -3.584 -0.085) 3.716 ======================= Grid point 45 (28/70) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 0.274 -0.000) 0.274 1.129 ( 0.000 -0.429 0.000) 0.429 1.282 ( 0.000 0.414 0.000) 0.414 1.293 ( 0.000 -0.765 -0.000) 0.765 1.456 ( 0.000 3.693 0.000) 3.693 1.484 ( 0.000 0.391 -0.000) 0.391 1.621 ( 0.000 -0.063 0.000) 0.063 1.624 ( -0.000 -0.401 -0.000) 0.401 1.766 ( 0.000 -1.044 -0.000) 1.044 1.789 ( -0.000 -3.516 -0.000) 3.516 1.866 ( -0.000 2.327 0.000) 2.327 1.897 ( 0.000 2.328 -0.000) 2.328 1.927 ( 0.000 -2.914 -0.000) 2.914 1.948 ( -0.000 -1.843 0.000) 1.843 2.186 ( 0.000 5.164 0.000) 5.164 2.245 ( 0.000 -0.273 0.000) 0.273 2.379 ( -0.000 7.900 -0.000) 7.900 2.414 ( 0.000 2.491 0.000) 2.491 2.458 ( -0.000 -2.577 0.000) 2.577 2.535 ( -0.000 -7.970 -0.000) 7.970 2.860 ( 0.000 3.246 -0.000) 3.246 2.906 ( 0.000 -1.224 0.000) 1.224 3.250 ( -0.000 1.778 0.000) 1.778 3.267 ( 0.000 -0.552 -0.000) 0.552 3.441 ( 0.000 4.428 -0.000) 4.428 3.541 ( -0.000 -4.267 -0.000) 4.267 3.632 ( 0.000 2.720 0.000) 2.720 3.688 ( -0.000 -3.746 -0.000) 3.746 4.033 ( 0.000 3.740 0.000) 3.740 4.049 ( 0.000 2.140 -0.000) 2.140 4.336 ( -0.000 2.859 0.000) 2.859 4.361 ( 0.000 0.250 -0.000) 0.250 4.571 ( 0.000 4.964 -0.000) 4.964 4.658 ( 0.000 -3.836 -0.000) 3.836 5.042 ( 0.000 2.219 -0.000) 2.219 5.058 ( -0.000 0.487 0.000) 0.487 5.438 ( 0.000 4.693 0.000) 4.693 5.532 ( -0.000 -4.501 0.000) 4.501 6.214 ( -0.000 6.389 -0.000) 6.389 6.307 ( 0.000 -2.806 -0.000) 2.806 6.495 ( 0.000 1.709 -0.000) 1.709 6.557 ( 0.000 -4.258 0.000) 4.258 6.681 ( 0.000 0.763 0.000) 0.763 6.688 ( 0.000 0.407 -0.000) 0.407 7.002 ( -0.000 2.964 -0.000) 2.964 7.050 ( -0.000 -1.369 0.000) 1.369 7.137 ( 0.000 6.818 0.000) 6.818 7.223 ( 0.000 -2.118 0.000) 2.118 7.292 ( -0.000 0.681 -0.000) 0.681 7.356 ( 0.000 -4.259 -0.000) 4.259 7.486 ( -0.000 6.054 -0.000) 6.054 7.588 ( 0.000 -2.830 0.000) 2.830 7.618 ( -0.000 0.277 -0.000) 0.277 7.623 ( 0.000 -1.976 0.000) 1.976 7.996 ( 0.000 2.729 -0.000) 2.729 8.026 ( 0.000 -0.252 0.000) 0.252 8.355 ( 0.000 2.867 0.000) 2.867 8.412 ( 0.000 -2.731 -0.000) 2.731 8.472 ( -0.000 1.054 -0.000) 1.054 8.489 ( 0.000 -0.669 0.000) 0.669 8.541 ( 0.000 2.373 0.000) 2.373 8.567 ( 0.000 -0.080 -0.000) 0.080 8.834 ( 0.000 1.174 -0.000) 1.174 8.851 ( 0.000 -0.578 0.000) 0.578 9.412 ( 0.000 3.487 -0.000) 3.487 9.483 ( 0.000 -3.735 0.000) 3.735 ======================= Grid point 91 (29/70) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.190 ( -5.590 0.000 6.236) 8.375 0.499 ( -0.868 0.000 19.639) 19.658 0.645 ( -3.865 0.000 0.360) 3.881 0.684 ( 8.141 0.000 22.127) 23.577 0.830 ( 0.978 0.000 -8.470) 8.526 0.965 ( 2.736 0.000 -2.891) 3.981 1.055 ( 0.460 0.000 1.064) 1.159 1.061 ( 12.067 0.000 5.856) 13.413 1.110 ( -1.099 0.000 -4.050) 4.196 1.412 ( -6.755 0.000 -16.555) 17.880 1.536 ( 0.337 0.000 1.431) 1.470 1.536 ( 1.233 0.000 0.441) 1.310 1.565 ( 0.132 0.000 -0.099) 0.165 1.642 ( -0.168 0.000 -1.045) 1.059 1.728 ( -2.096 0.000 -3.087) 3.732 1.843 ( -0.378 0.000 -0.223) 0.439 1.953 ( -1.669 0.000 -0.942) 1.916 2.059 ( -1.583 0.000 -3.279) 3.641 2.077 ( -0.030 0.000 0.198) 0.200 2.131 ( -2.020 0.000 1.798) 2.704 2.193 ( 0.004 0.000 0.008) 0.009 2.302 ( -0.021 0.000 -0.030) 0.037 2.593 ( 0.582 0.000 6.192) 6.219 2.782 ( 2.166 0.000 -0.367) 2.197 2.850 ( -0.376 0.000 -2.057) 2.091 3.383 ( 0.045 0.000 0.048) 0.066 3.420 ( -0.884 0.000 -1.069) 1.388 3.620 ( -0.121 0.000 -0.004) 0.121 3.673 ( -0.066 0.000 -0.126) 0.142 3.893 ( 1.117 0.000 3.364) 3.544 3.994 ( 6.045 0.000 -0.774) 6.094 4.373 ( -0.266 0.000 0.445) 0.518 4.624 ( -10.214 0.000 -0.107) 10.215 4.949 ( 0.249 0.000 0.273) 0.369 4.971 ( -0.106 0.000 -1.651) 1.654 5.089 ( -0.455 0.000 0.627) 0.775 5.241 ( 0.063 0.000 0.098) 0.116 5.458 ( 0.902 0.000 0.067) 0.905 5.584 ( 0.327 0.000 -0.683) 0.757 5.939 ( 0.441 0.000 -0.083) 0.448 5.952 ( -0.484 0.000 -0.020) 0.484 6.380 ( -3.860 0.000 -1.534) 4.153 6.610 ( 0.668 0.000 1.064) 1.257 6.692 ( -0.002 0.000 -0.045) 0.045 6.739 ( -0.025 0.000 0.062) 0.067 6.814 ( 0.574 0.000 9.826) 9.843 7.012 ( 1.329 0.000 -5.758) 5.910 7.045 ( 0.084 0.000 -0.040) 0.093 7.170 ( -0.053 0.000 0.088) 0.103 7.172 ( -1.324 0.000 -1.673) 2.134 7.404 ( 1.476 0.000 -2.619) 3.007 7.408 ( 0.003 0.000 -0.031) 0.031 7.432 ( -1.496 0.000 -0.469) 1.568 7.647 ( 5.337 0.000 0.098) 5.338 7.787 ( 0.007 0.000 0.010) 0.012 7.823 ( -0.009 0.000 0.000) 0.009 7.885 ( 1.558 0.000 0.535) 1.648 8.005 ( -4.022 0.000 3.531) 5.352 8.169 ( 0.474 0.000 -2.359) 2.406 8.433 ( 2.237 0.000 2.161) 3.110 8.512 ( -1.851 0.000 -2.607) 3.198 8.673 ( 0.321 0.000 -0.507) 0.600 8.882 ( -0.030 0.000 -0.475) 0.476 8.943 ( 0.946 0.000 1.271) 1.584 9.649 ( 5.338 0.000 -0.165) 5.340 9.834 ( 0.269 0.000 0.333) 0.428 ======================= Grid point 92 (30/70) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 13.352 0.000 7.136) 15.139 0.606 ( 8.360 0.000 13.608) 15.971 0.654 ( 4.000 0.000 -5.210) 6.568 0.861 ( 2.745 0.000 -6.346) 6.914 0.901 ( 11.340 0.000 6.193) 12.921 1.069 ( 0.276 0.000 0.987) 1.025 1.085 ( 9.670 0.000 -4.447) 10.644 1.108 ( 2.191 0.000 -3.356) 4.008 1.182 ( -6.630 0.000 -6.822) 9.513 1.334 ( 7.970 0.000 5.747) 9.826 1.533 ( -0.896 0.000 1.042) 1.374 1.560 ( -0.614 0.000 -0.112) 0.624 1.566 ( 2.036 0.000 -7.615) 7.883 1.649 ( 0.871 0.000 -1.075) 1.383 1.673 ( -5.411 0.000 3.169) 6.270 1.943 ( 5.047 0.000 -4.680) 6.883 1.977 ( 7.120 0.000 -1.179) 7.217 2.034 ( 2.241 0.000 -0.950) 2.434 2.064 ( -1.263 0.000 0.210) 1.281 2.124 ( 0.512 0.000 2.969) 3.013 2.187 ( -0.547 0.000 -0.044) 0.549 2.302 ( 0.046 0.000 -0.003) 0.046 2.603 ( -0.340 0.000 4.319) 4.332 2.823 ( 1.417 0.000 0.703) 1.582 2.857 ( 0.839 0.000 -2.362) 2.507 3.351 ( -2.844 0.000 -0.028) 2.845 3.357 ( -5.673 0.000 -0.362) 5.684 3.599 ( -1.806 0.000 0.478) 1.868 3.703 ( 2.746 0.000 -0.006) 2.746 3.837 ( -7.921 0.000 2.363) 8.266 3.892 ( -9.070 0.000 -0.925) 9.117 4.172 ( -18.543 0.000 1.331) 18.590 4.441 ( -0.054 0.000 6.579) 6.579 4.961 ( 1.937 0.000 0.025) 1.937 5.000 ( 2.482 0.000 -1.143) 2.733 5.174 ( 6.122 0.000 0.422) 6.136 5.188 ( -5.088 0.000 -0.016) 5.088 5.528 ( 2.950 0.000 -1.606) 3.359 5.839 ( -3.131 0.000 -0.038) 3.131 5.893 ( 19.601 0.000 -0.999) 19.626 6.126 ( 10.458 0.000 0.017) 10.458 6.421 ( -0.236 0.000 2.190) 2.202 6.623 ( 6.610 0.000 -4.784) 8.159 6.675 ( -1.927 0.000 -0.005) 1.927 6.739 ( -0.018 0.000 0.028) 0.033 6.863 ( 0.015 0.000 3.461) 3.461 7.035 ( 2.836 0.000 -4.126) 5.007 7.047 ( 0.213 0.000 -0.057) 0.221 7.092 ( -5.764 0.000 1.990) 6.098 7.165 ( -0.477 0.000 0.079) 0.484 7.396 ( -0.527 0.000 -1.237) 1.345 7.404 ( -0.434 0.000 -0.029) 0.435 7.469 ( 3.633 0.000 -1.713) 4.016 7.627 ( -5.303 0.000 -2.882) 6.035 7.789 ( 0.217 0.000 -0.003) 0.217 7.829 ( 0.596 0.000 0.019) 0.596 7.895 ( -1.468 0.000 -2.447) 2.854 7.942 ( -4.425 0.000 4.690) 6.448 8.168 ( 2.207 0.000 -1.659) 2.761 8.428 ( -3.553 0.000 -2.538) 4.367 8.455 ( -1.875 0.000 2.483) 3.111 8.612 ( -3.643 0.000 0.428) 3.668 8.872 ( -2.401 0.000 -0.333) 2.424 8.926 ( -1.243 0.000 2.556) 2.843 9.605 ( -4.599 0.000 -2.050) 5.035 9.889 ( 1.851 0.000 -0.282) 1.873 ======================= Grid point 93 (31/70) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 7.419 0.000 -1.211) 7.517 0.759 ( 6.871 0.000 0.655) 6.902 0.769 ( 6.694 0.000 5.264) 8.515 0.898 ( 1.233 0.000 -1.932) 2.292 0.973 ( -9.782 0.000 -10.342) 14.235 1.059 ( -0.975 0.000 -1.063) 1.443 1.082 ( 7.040 0.000 -3.189) 7.728 1.197 ( 6.785 0.000 0.355) 6.795 1.220 ( 4.681 0.000 -4.635) 6.587 1.453 ( -9.736 0.000 7.313) 12.177 1.495 ( -3.340 0.000 -0.335) 3.357 1.550 ( -0.382 0.000 0.666) 0.768 1.617 ( 9.070 0.000 8.802) 12.639 1.666 ( 0.954 0.000 -1.294) 1.607 1.682 ( 6.166 0.000 -3.864) 7.277 1.955 ( -1.013 0.000 -1.044) 1.455 2.038 ( -1.249 0.000 0.177) 1.262 2.056 ( 3.926 0.000 -2.426) 4.615 2.176 ( -0.555 0.000 -0.086) 0.562 2.182 ( 12.228 0.000 -6.760) 13.972 2.233 ( 8.456 0.000 4.480) 9.569 2.303 ( 0.082 0.000 -0.031) 0.088 2.580 ( -3.364 0.000 3.754) 5.041 2.805 ( -3.227 0.000 -2.038) 3.816 2.884 ( 1.146 0.000 1.824) 2.154 3.234 ( -5.582 0.000 1.100) 5.689 3.299 ( -2.243 0.000 -0.065) 2.244 3.559 ( -2.236 0.000 0.380) 2.268 3.691 ( -6.358 0.000 -0.157) 6.360 3.753 ( 2.173 0.000 0.084) 2.175 3.797 ( -13.612 0.000 4.827) 14.443 3.805 ( -6.212 0.000 -3.985) 7.381 4.486 ( 2.445 0.000 3.432) 4.214 5.004 ( 2.135 0.000 -0.369) 2.167 5.043 ( 1.734 0.000 -0.239) 1.750 5.085 ( -4.808 0.000 -0.117) 4.810 5.257 ( 2.316 0.000 0.360) 2.344 5.577 ( 2.517 0.000 0.350) 2.542 5.813 ( -0.232 0.000 0.003) 0.233 6.204 ( 13.817 0.000 -0.723) 13.836 6.316 ( 9.177 0.000 0.032) 9.178 6.342 ( -4.972 0.000 2.487) 5.559 6.619 ( -3.932 0.000 0.031) 3.933 6.685 ( -6.468 0.000 -6.005) 8.826 6.739 ( 0.037 0.000 -0.023) 0.043 6.822 ( 0.436 0.000 -0.183) 0.473 7.020 ( -1.433 0.000 2.785) 3.132 7.052 ( 0.225 0.000 0.054) 0.231 7.155 ( -0.531 0.000 -0.039) 0.533 7.166 ( 9.442 0.000 3.353) 10.020 7.380 ( -1.973 0.000 1.056) 2.238 7.395 ( -0.421 0.000 -0.023) 0.422 7.506 ( -0.040 0.000 -6.714) 6.714 7.557 ( -0.159 0.000 3.190) 3.194 7.779 ( -7.091 0.000 -4.093) 8.188 7.794 ( 0.242 0.000 -0.008) 0.242 7.841 ( 0.556 0.000 0.034) 0.557 7.915 ( -0.276 0.000 -0.377) 0.467 8.240 ( 4.385 0.000 -0.760) 4.450 8.369 ( -2.310 0.000 -2.095) 3.119 8.422 ( -1.727 0.000 2.277) 2.858 8.552 ( -2.747 0.000 -0.506) 2.793 8.819 ( -2.256 0.000 -0.394) 2.290 8.901 ( -1.746 0.000 2.382) 2.953 9.556 ( -0.868 0.000 0.255) 0.905 9.897 ( -0.391 0.000 -0.224) 0.451 ======================= Grid point 94 (32/70) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -3.709 0.000 0.531) 3.747 0.828 ( 0.876 0.000 -11.795) 11.828 0.850 ( 1.411 0.000 0.728) 1.588 0.866 ( 2.164 0.000 -0.858) 2.328 0.889 ( -2.353 0.000 1.532) 2.808 1.041 ( -0.404 0.000 -1.078) 1.151 1.162 ( -12.040 0.000 2.889) 12.382 1.199 ( 2.285 0.000 -0.414) 2.323 1.325 ( 4.578 0.000 2.381) 5.160 1.386 ( 9.725 0.000 -3.836) 10.454 1.415 ( -3.696 0.000 -1.931) 4.170 1.547 ( -0.038 0.000 0.878) 0.878 1.677 ( 0.264 0.000 -1.463) 1.487 1.684 ( -4.391 0.000 5.777) 7.256 1.777 ( 5.629 0.000 -2.314) 6.086 1.943 ( -0.075 0.000 -1.943) 1.945 2.025 ( 0.009 0.000 0.139) 0.139 2.085 ( -0.158 0.000 0.556) 0.578 2.170 ( -0.017 0.000 -0.076) 0.078 2.283 ( -6.578 0.000 6.932) 9.557 2.305 ( 0.047 0.000 -0.095) 0.106 2.444 ( -3.995 0.000 -2.793) 4.874 2.529 ( 10.441 0.000 -3.175) 10.913 2.737 ( -1.720 0.000 -0.177) 1.729 2.853 ( -1.298 0.000 0.308) 1.334 3.230 ( 3.783 0.000 2.321) 4.439 3.277 ( -0.019 0.000 -0.057) 0.060 3.491 ( -6.281 0.000 3.938) 7.414 3.560 ( 1.805 0.000 -0.079) 1.807 3.697 ( 0.791 0.000 -2.203) 2.341 3.776 ( 0.048 0.000 0.081) 0.094 3.783 ( 0.502 0.000 -0.476) 0.692 4.522 ( 0.941 0.000 2.448) 2.623 5.028 ( 0.277 0.000 -0.734) 0.784 5.036 ( -0.053 0.000 -0.114) 0.126 5.056 ( -0.371 0.000 0.385) 0.535 5.273 ( -0.332 0.000 0.673) 0.750 5.609 ( 0.293 0.000 0.141) 0.325 5.813 ( 0.013 0.000 0.007) 0.015 6.257 ( -1.172 0.000 1.689) 2.056 6.430 ( -0.001 0.000 0.016) 0.016 6.446 ( 1.312 0.000 -0.998) 1.649 6.497 ( -2.144 0.000 -2.130) 3.022 6.556 ( 0.038 0.000 0.030) 0.048 6.740 ( 0.013 0.000 -0.043) 0.045 6.828 ( -0.432 0.000 0.441) 0.618 7.036 ( 2.255 0.000 -0.722) 2.368 7.054 ( -0.101 0.000 0.191) 0.216 7.150 ( 0.062 0.000 -0.156) 0.167 7.282 ( -0.196 0.000 3.001) 3.007 7.350 ( 0.821 0.000 5.992) 6.048 7.390 ( 0.001 0.000 -0.019) 0.019 7.517 ( -3.794 0.000 -5.480) 6.665 7.559 ( 4.486 0.000 1.163) 4.634 7.692 ( -0.772 0.000 -6.501) 6.547 7.796 ( -0.001 0.000 -0.007) 0.007 7.847 ( 0.002 0.000 0.036) 0.036 7.913 ( 0.328 0.000 -1.273) 1.315 8.307 ( 2.496 0.000 -0.335) 2.518 8.320 ( -3.049 0.000 -1.369) 3.343 8.411 ( 0.552 0.000 1.099) 1.229 8.513 ( -1.230 0.000 0.401) 1.294 8.795 ( -0.259 0.000 -0.051) 0.264 8.881 ( -0.288 0.000 2.060) 2.081 9.553 ( 0.165 0.000 0.641) 0.662 9.889 ( -0.175 0.000 -0.243) 0.299 ======================= Grid point 95 (33/70) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -8.490 0.000 1.316) 8.592 0.773 ( -8.457 0.000 6.505) 10.669 0.841 ( -3.049 0.000 -6.360) 7.053 0.869 ( -0.720 0.000 -2.111) 2.230 0.899 ( -11.221 0.000 4.451) 12.071 0.912 ( 2.712 0.000 -2.625) 3.774 1.043 ( 0.397 0.000 -0.200) 0.445 1.258 ( 0.775 0.000 -3.109) 3.204 1.262 ( -6.367 0.000 -2.989) 7.033 1.459 ( 4.013 0.000 1.633) 4.332 1.514 ( -12.708 0.000 7.669) 14.842 1.550 ( 0.314 0.000 0.647) 0.719 1.599 ( 9.883 0.000 -2.463) 10.186 1.672 ( -0.588 0.000 -1.481) 1.594 1.853 ( 2.528 0.000 -5.419) 5.980 1.922 ( -7.135 0.000 -2.481) 7.554 2.010 ( -9.242 0.000 0.793) 9.276 2.039 ( 1.253 0.000 0.145) 1.261 2.063 ( -2.772 0.000 3.280) 4.294 2.175 ( 0.553 0.000 -0.055) 0.556 2.305 ( -0.050 0.000 -0.094) 0.107 2.328 ( -6.922 0.000 -4.326) 8.163 2.595 ( -0.763 0.000 5.546) 5.598 2.764 ( 1.748 0.000 -0.386) 1.790 2.895 ( 1.393 0.000 0.655) 1.539 3.298 ( 2.211 0.000 -0.022) 2.211 3.309 ( 4.946 0.000 -3.640) 6.141 3.527 ( 7.104 0.000 2.703) 7.600 3.632 ( 4.610 0.000 3.055) 5.530 3.727 ( 1.427 0.000 2.025) 2.478 3.755 ( -2.116 0.000 -0.007) 2.116 3.892 ( 13.311 0.000 -2.143) 13.483 4.530 ( 0.089 0.000 1.153) 1.156 5.014 ( -1.475 0.000 -1.213) 1.910 5.030 ( -2.344 0.000 0.709) 2.449 5.084 ( 4.750 0.000 -0.015) 4.750 5.248 ( -2.649 0.000 0.908) 2.800 5.584 ( -2.673 0.000 -0.043) 2.674 5.813 ( 0.244 0.000 -0.019) 0.244 6.190 ( -12.584 0.000 0.018) 12.584 6.316 ( -9.133 0.000 0.000) 9.133 6.332 ( 4.113 0.000 3.129) 5.168 6.620 ( 3.929 0.000 -0.005) 3.929 6.658 ( 7.457 0.000 -4.012) 8.468 6.739 ( -0.016 0.000 -0.043) 0.046 6.805 ( -2.171 0.000 0.765) 2.302 7.049 ( -0.317 0.000 0.194) 0.371 7.085 ( 3.126 0.000 -2.854) 4.233 7.156 ( 0.586 0.000 -0.119) 0.598 7.254 ( -3.078 0.000 0.861) 3.196 7.365 ( -0.268 0.000 4.363) 4.371 7.395 ( 0.422 0.000 -0.022) 0.422 7.415 ( -3.544 0.000 -2.732) 4.475 7.600 ( -2.020 0.000 -1.106) 2.303 7.756 ( 6.735 0.000 -3.490) 7.585 7.794 ( -0.247 0.000 -0.004) 0.247 7.842 ( -0.552 0.000 0.026) 0.552 7.940 ( 3.542 0.000 -2.140) 4.139 8.245 ( -4.798 0.000 -1.729) 5.100 8.339 ( 1.470 0.000 0.352) 1.511 8.440 ( 2.309 0.000 2.299) 3.259 8.512 ( 0.989 0.000 1.375) 1.693 8.806 ( 1.250 0.000 0.558) 1.369 8.898 ( 1.545 0.000 2.196) 2.685 9.558 ( 0.312 0.000 0.135) 0.340 9.888 ( -0.191 0.000 0.237) 0.305 ======================= Grid point 96 (34/70) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -4.828 0.000 13.384) 14.228 0.599 ( -9.938 0.000 14.405) 17.501 0.625 ( -10.438 0.000 -7.078) 12.612 0.838 ( -5.276 0.000 6.170) 8.118 0.843 ( -1.187 0.000 -6.001) 6.117 0.930 ( -2.160 0.000 4.768) 5.234 1.028 ( -13.127 0.000 2.936) 13.451 1.049 ( 0.210 0.000 0.519) 0.560 1.158 ( -3.838 0.000 -4.348) 5.799 1.467 ( 3.610 0.000 -0.382) 3.630 1.515 ( 1.849 0.000 1.714) 2.521 1.558 ( 0.455 0.000 0.230) 0.509 1.596 ( -8.315 0.000 -5.409) 9.920 1.655 ( -0.896 0.000 -1.294) 1.574 1.787 ( -1.525 0.000 -8.456) 8.592 1.883 ( -1.657 0.000 -1.802) 2.448 1.962 ( -0.187 0.000 0.387) 0.430 2.054 ( 1.016 0.000 2.146) 2.374 2.064 ( 1.220 0.000 0.176) 1.233 2.187 ( 0.578 0.000 -0.026) 0.579 2.206 ( -4.541 0.000 -6.705) 8.098 2.303 ( -0.087 0.000 -0.050) 0.100 2.584 ( -0.645 0.000 8.134) 8.160 2.776 ( -0.529 0.000 0.005) 0.529 2.878 ( -2.001 0.000 -1.220) 2.343 3.350 ( 2.857 0.000 0.033) 2.857 3.393 ( 3.694 0.000 -2.736) 4.597 3.609 ( 1.219 0.000 -0.438) 1.296 3.705 ( -2.782 0.000 -0.111) 2.784 3.785 ( 9.741 0.000 6.029) 11.456 3.802 ( 7.702 0.000 4.795) 9.073 4.193 ( 15.584 0.000 0.097) 15.584 4.561 ( 4.605 0.000 -0.801) 4.674 4.971 ( -2.690 0.000 -0.217) 2.698 4.988 ( -1.675 0.000 -0.774) 1.845 5.170 ( -5.408 0.000 0.580) 5.439 5.186 ( 5.141 0.000 0.093) 5.142 5.521 ( -3.658 0.000 -1.264) 3.870 5.839 ( 3.099 0.000 -0.048) 3.100 5.905 ( -18.280 0.000 -1.568) 18.347 6.127 ( -10.449 0.000 -0.046) 10.449 6.472 ( 7.752 0.000 1.191) 7.843 6.623 ( -10.108 0.000 -8.123) 12.968 6.675 ( 1.902 0.000 -0.023) 1.902 6.739 ( 0.010 0.000 -0.000) 0.010 6.823 ( 2.321 0.000 2.722) 3.577 7.045 ( -0.128 0.000 0.081) 0.151 7.089 ( -10.584 0.000 -7.356) 12.889 7.147 ( 3.024 0.000 -2.655) 4.024 7.167 ( 0.422 0.000 -0.002) 0.422 7.389 ( 0.137 0.000 -0.011) 0.137 7.403 ( 0.439 0.000 -0.027) 0.440 7.430 ( 4.451 0.000 5.631) 7.178 7.548 ( -0.785 0.000 1.473) 1.669 7.789 ( -0.218 0.000 0.005) 0.218 7.830 ( -0.599 0.000 0.007) 0.599 7.844 ( 2.828 0.000 0.783) 2.934 8.045 ( 4.856 0.000 -2.987) 5.701 8.150 ( -3.336 0.000 -1.100) 3.513 8.378 ( 2.701 0.000 1.142) 2.932 8.505 ( 3.024 0.000 -0.801) 3.129 8.561 ( 5.591 0.000 5.497) 7.840 8.844 ( 2.840 0.000 2.138) 3.555 8.924 ( 0.597 0.000 1.961) 2.049 9.566 ( 0.959 0.000 0.692) 1.183 9.871 ( -1.967 0.000 1.015) 2.214 ======================= Grid point 97 (35/70) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 1.253 7.229 6.057) 9.514 0.421 ( -0.209 14.874 6.197) 16.114 0.670 ( 3.568 1.602 -3.017) 4.940 0.763 ( 0.360 -3.132 -10.153) 10.631 0.979 ( 1.062 11.227 4.112) 12.003 1.090 ( 2.817 6.669 2.739) 7.740 1.127 ( -1.245 16.822 6.555) 18.097 1.204 ( -1.344 7.694 -3.723) 8.652 1.219 ( 1.828 11.398 3.873) 12.176 1.433 ( -4.269 5.189 -1.268) 6.838 1.587 ( 1.627 6.210 -0.063) 6.420 1.625 ( 0.268 6.699 1.176) 6.806 1.648 ( 2.074 2.585 -0.608) 3.369 1.768 ( 1.271 10.352 -0.773) 10.458 1.794 ( -1.218 8.161 -4.978) 9.637 1.852 ( -0.888 2.513 -0.262) 2.679 1.955 ( -0.094 1.805 -0.242) 1.823 1.982 ( 0.686 -2.940 0.178) 3.024 2.071 ( -3.161 0.384 -6.394) 7.143 2.279 ( -0.785 11.013 2.355) 11.289 2.362 ( -0.169 14.516 0.867) 14.543 2.423 ( -0.136 11.002 -0.055) 11.003 2.551 ( 1.037 -2.869 1.227) 3.288 2.748 ( -0.609 -1.075 1.075) 1.638 2.854 ( 0.405 1.162 -0.784) 1.459 3.387 ( -0.339 -0.898 -1.177) 1.519 3.563 ( 0.860 5.084 -1.429) 5.350 3.633 ( -0.378 3.301 0.135) 3.325 3.683 ( -1.969 -2.297 -0.297) 3.040 3.808 ( 2.191 -7.261 0.817) 7.628 3.859 ( 1.024 -3.757 2.138) 4.442 4.293 ( 0.501 -5.227 0.034) 5.251 4.411 ( -3.860 -8.365 2.785) 9.624 4.925 ( 0.065 -2.087 0.003) 2.088 4.979 ( -0.015 0.619 -1.718) 1.826 5.090 ( 0.316 0.478 1.218) 1.346 5.386 ( 0.210 -4.765 -0.002) 4.769 5.430 ( 1.107 5.312 -2.600) 6.017 5.626 ( -0.571 9.098 -0.740) 9.146 6.084 ( 1.168 9.686 0.559) 9.772 6.310 ( 7.388 10.138 -1.705) 12.660 6.376 ( -10.690 7.096 -5.982) 14.157 6.482 ( -0.022 -4.382 0.732) 4.443 6.640 ( -1.154 -4.646 1.177) 4.930 6.847 ( 2.980 2.734 3.679) 5.467 6.924 ( -1.801 3.992 -2.968) 5.290 6.995 ( -0.002 4.821 -0.875) 4.899 7.074 ( 0.168 2.394 -2.120) 3.202 7.165 ( -0.552 0.397 1.661) 1.795 7.224 ( -0.100 3.704 -3.136) 4.855 7.336 ( 0.693 -2.644 -0.606) 2.800 7.431 ( -0.174 2.353 -2.951) 3.778 7.488 ( 0.665 5.282 0.336) 5.335 7.620 ( 2.299 0.467 2.125) 3.165 7.772 ( -3.194 -0.808 3.767) 5.004 7.855 ( 2.450 -3.067 -1.099) 4.076 7.973 ( -4.139 7.203 2.656) 8.722 8.088 ( 3.084 4.931 -5.538) 8.031 8.209 ( -0.526 5.044 -1.688) 5.345 8.429 ( 1.823 -0.615 2.975) 3.543 8.508 ( -1.055 -0.434 -2.294) 2.562 8.661 ( 0.836 -0.860 -1.319) 1.783 8.854 ( 0.113 -2.306 1.090) 2.553 8.925 ( 0.088 -1.290 2.022) 2.400 9.577 ( 1.939 -5.414 1.072) 5.850 9.812 ( 0.176 -2.138 0.346) 2.173 ======================= Grid point 98 (36/70) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 6.420 3.669 3.772) 8.301 0.631 ( 15.665 9.626 1.750) 18.469 0.719 ( 2.680 0.988 0.213) 2.864 0.830 ( 6.676 -1.609 -9.986) 12.119 1.016 ( 2.044 8.307 -0.355) 8.562 1.131 ( 2.280 4.953 -2.129) 5.853 1.150 ( 2.039 9.104 1.619) 9.469 1.196 ( 1.523 7.411 -3.014) 8.144 1.228 ( -4.108 5.788 -1.180) 7.195 1.410 ( 4.479 8.462 9.145) 13.240 1.580 ( -1.798 5.045 -0.361) 5.367 1.643 ( -1.408 3.428 4.015) 5.463 1.679 ( -0.035 9.126 1.204) 9.205 1.760 ( -1.891 10.147 -2.954) 10.736 1.795 ( 1.993 12.519 -2.870) 12.997 1.933 ( 5.187 -1.789 -1.110) 5.598 1.971 ( 4.991 2.869 -2.323) 6.208 1.996 ( 2.364 -0.488 -2.022) 3.149 2.045 ( 2.067 -0.120 -1.959) 2.850 2.244 ( -2.502 10.879 1.299) 11.238 2.348 ( -0.594 11.731 0.937) 11.783 2.443 ( 1.442 12.015 1.043) 12.146 2.565 ( -0.040 -1.690 0.657) 1.814 2.764 ( 1.463 -2.910 2.189) 3.925 2.874 ( 1.313 2.124 -0.944) 2.669 3.344 ( -4.161 -0.159 0.024) 4.164 3.492 ( -6.607 6.568 -2.458) 9.635 3.599 ( -2.192 1.532 0.811) 2.795 3.667 ( -2.008 -7.425 2.055) 7.962 3.800 ( -0.023 2.180 -1.204) 2.491 3.818 ( -4.093 -4.881 0.737) 6.412 4.151 ( -15.672 -1.718 1.073) 15.802 4.397 ( 3.345 -3.381 3.296) 5.786 4.935 ( 2.026 -2.147 0.101) 2.954 5.000 ( 1.264 0.206 -1.246) 1.787 5.153 ( 4.699 -1.308 0.580) 4.912 5.390 ( -3.644 11.572 -0.506) 12.143 5.478 ( 3.818 -3.712 -1.486) 5.528 5.717 ( 10.712 -3.680 -0.156) 11.327 5.990 ( -5.483 11.837 -0.489) 13.055 6.348 ( 5.412 4.076 -1.452) 6.929 6.417 ( -4.485 -2.604 1.900) 5.523 6.515 ( 4.644 2.754 -2.662) 6.020 6.644 ( 4.197 -2.218 2.543) 5.386 6.902 ( 1.970 1.126 1.139) 2.539 6.912 ( 1.973 6.990 -2.880) 7.814 6.971 ( -2.286 1.576 -0.525) 2.826 7.084 ( -0.953 1.302 0.294) 1.640 7.142 ( -0.624 1.941 0.920) 2.236 7.195 ( -1.943 4.748 -2.109) 5.547 7.346 ( 0.279 -2.445 -0.761) 2.576 7.428 ( -0.069 2.997 -0.887) 3.126 7.511 ( 0.907 2.829 -3.496) 4.588 7.610 ( -2.460 0.760 0.791) 2.693 7.748 ( 0.230 -2.224 3.735) 4.353 7.840 ( -4.147 -0.289 2.267) 4.735 7.948 ( 1.950 6.045 -1.897) 6.629 8.141 ( -4.582 11.564 -1.289) 12.505 8.163 ( 3.453 0.473 -2.667) 4.389 8.431 ( -2.065 -0.640 0.871) 2.331 8.441 ( -4.343 -0.325 -1.166) 4.509 8.598 ( -3.759 -1.070 -0.004) 3.908 8.867 ( -1.671 -0.461 0.173) 1.742 8.900 ( -1.244 -2.313 2.540) 3.654 9.543 ( -3.313 -5.261 -0.534) 6.240 9.853 ( 2.097 -3.069 0.086) 3.718 ======================= Grid point 99 (37/70) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 6.179 1.787 -0.713) 6.471 0.788 ( 4.499 1.647 -0.036) 4.791 0.880 ( 6.049 1.854 -0.079) 6.327 0.902 ( 2.804 4.848 -3.948) 6.852 0.999 ( -2.037 6.210 -2.783) 7.103 1.127 ( 0.795 7.412 -1.613) 7.627 1.169 ( -0.456 6.013 0.832) 6.087 1.263 ( 4.622 5.636 -0.098) 7.290 1.274 ( 7.877 4.836 -6.568) 11.339 1.458 ( -4.842 2.875 5.169) 7.643 1.545 ( -1.255 3.743 1.644) 4.276 1.559 ( -3.501 3.704 1.602) 5.342 1.702 ( -2.085 6.867 -2.804) 7.705 1.756 ( 4.760 11.066 3.103) 12.439 1.823 ( 0.643 9.988 1.437) 10.111 1.942 ( -0.433 -1.760 -0.792) 1.978 1.996 ( 0.142 -2.369 -2.301) 3.305 2.119 ( 2.536 4.674 -2.120) 5.725 2.189 ( 8.566 -1.765 2.057) 8.985 2.263 ( 9.835 11.350 -3.661) 15.458 2.354 ( 0.883 12.111 0.241) 12.146 2.466 ( 0.887 12.550 1.398) 12.659 2.544 ( -2.730 -0.830 2.150) 3.572 2.786 ( 0.325 -1.085 1.392) 1.794 2.887 ( -0.314 1.436 0.407) 1.525 3.244 ( -5.078 1.616 0.851) 5.397 3.382 ( -4.152 4.785 -2.164) 6.695 3.549 ( -2.858 0.269 0.906) 3.010 3.629 ( -2.244 -3.410 -0.504) 4.113 3.750 ( -3.408 -4.340 2.297) 5.977 3.784 ( -7.062 1.374 -1.561) 7.362 3.873 ( -5.623 6.172 0.903) 8.398 4.465 ( 2.856 -1.979 2.515) 4.289 4.982 ( 2.093 -1.966 0.011) 2.871 5.020 ( 1.089 -1.193 -0.484) 1.686 5.221 ( 1.946 0.414 -0.206) 2.001 5.294 ( -4.845 12.421 -0.081) 13.332 5.537 ( 2.644 -3.111 0.094) 4.083 5.929 ( 3.893 3.989 -0.253) 5.579 5.964 ( 7.881 -4.154 0.338) 8.915 6.307 ( -5.769 -3.802 1.316) 7.033 6.441 ( -2.497 -6.762 -0.473) 7.223 6.519 ( 5.219 5.041 -0.609) 7.282 6.735 ( 2.133 3.400 0.624) 4.062 6.886 ( -4.788 7.611 -2.629) 9.368 6.933 ( 0.006 3.343 -1.956) 3.873 6.990 ( 2.438 3.050 -0.007) 3.905 7.036 ( -1.367 -0.352 1.393) 1.983 7.156 ( -1.564 1.345 -0.626) 2.156 7.200 ( 5.989 2.253 2.983) 7.060 7.340 ( -1.025 -3.619 0.793) 3.844 7.411 ( -1.886 2.348 1.072) 3.196 7.498 ( 0.091 -0.105 -5.947) 5.948 7.607 ( 0.827 5.447 2.269) 5.958 7.731 ( -3.429 -2.434 -1.272) 4.393 7.786 ( -0.224 0.851 2.273) 2.438 7.981 ( 1.031 9.008 -3.525) 9.728 8.047 ( -3.171 9.427 1.196) 10.017 8.238 ( 3.802 0.668 -1.384) 4.101 8.365 ( -2.767 -0.206 -1.987) 3.412 8.396 ( -1.969 -2.233 1.638) 3.398 8.540 ( -2.548 -0.952 -0.346) 2.741 8.815 ( -2.354 -0.244 0.022) 2.366 8.879 ( -1.597 -2.138 1.853) 3.249 9.505 ( -0.795 -4.597 0.569) 4.699 9.870 ( 0.024 -2.575 -0.245) 2.586 ======================= Grid point 100 (38/70) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -2.279 0.825 1.305) 2.753 0.836 ( 0.935 0.433 -8.266) 8.330 0.840 ( 0.163 0.898 -1.653) 1.888 0.982 ( -0.311 7.499 0.598) 7.530 0.999 ( 0.099 10.555 0.098) 10.556 1.141 ( -0.305 6.294 -0.354) 6.311 1.181 ( -1.449 2.502 1.199) 3.130 1.235 ( -6.666 7.286 0.965) 9.922 1.402 ( 4.551 4.929 2.768) 7.258 1.416 ( 7.058 4.584 -3.004) 8.936 1.505 ( -3.381 3.961 -1.108) 5.324 1.563 ( 1.886 6.231 -1.417) 6.662 1.666 ( 0.173 -0.377 -2.191) 2.230 1.811 ( -2.380 10.379 2.662) 10.976 1.830 ( 2.055 7.005 0.775) 7.341 1.936 ( -0.005 -0.682 -0.960) 1.178 1.986 ( -0.811 -4.352 -1.922) 4.826 2.124 ( -0.105 7.548 -0.413) 7.560 2.266 ( -1.941 -2.743 5.233) 6.219 2.361 ( 0.327 14.576 -0.151) 14.580 2.418 ( -5.934 2.374 2.479) 6.855 2.475 ( -0.928 10.945 -0.782) 11.012 2.538 ( 8.295 2.124 -3.895) 9.407 2.789 ( 0.479 5.458 -0.406) 5.494 2.854 ( -0.429 0.715 1.245) 1.499 3.234 ( 3.533 1.231 1.812) 4.157 3.305 ( -4.013 2.166 -0.827) 4.634 3.521 ( 0.124 -1.619 0.511) 1.702 3.547 ( -1.939 4.684 1.075) 5.182 3.691 ( 0.561 -0.355 0.466) 0.811 3.739 ( 1.301 -3.427 -1.293) 3.887 3.863 ( 0.036 6.389 0.225) 6.393 4.500 ( 0.580 -1.812 1.981) 2.747 5.003 ( 0.426 -2.420 -0.510) 2.510 5.031 ( -0.375 -1.385 0.152) 1.443 5.218 ( -1.038 14.244 -0.210) 14.283 5.256 ( 0.475 -1.138 0.337) 1.278 5.568 ( 0.286 -3.153 0.014) 3.166 5.943 ( 0.136 11.577 0.208) 11.580 6.089 ( -0.503 -10.343 -0.046) 10.356 6.260 ( 0.736 -11.042 -0.413) 11.074 6.361 ( -0.438 -1.209 1.945) 2.332 6.642 ( 4.479 0.104 0.875) 4.565 6.725 ( -6.684 8.083 0.784) 10.518 6.786 ( 0.345 9.409 -4.288) 10.346 6.923 ( -0.484 4.286 -0.504) 4.342 7.004 ( -0.385 0.621 1.700) 1.850 7.034 ( 1.128 -0.451 -2.162) 2.480 7.143 ( 0.205 -0.368 -0.868) 0.965 7.294 ( -0.906 -1.832 4.045) 4.532 7.338 ( 2.917 -1.233 3.108) 4.437 7.387 ( -0.177 1.574 0.543) 1.675 7.513 ( 0.841 -0.206 -7.599) 7.648 7.584 ( -2.579 4.746 4.320) 6.916 7.704 ( 1.994 2.253 -4.550) 5.455 7.798 ( 0.790 -0.224 1.051) 1.334 7.964 ( -1.561 10.418 -0.353) 10.541 8.043 ( 1.406 9.256 -1.218) 9.441 8.293 ( 1.690 -1.095 0.223) 2.026 8.310 ( -2.925 -0.797 -0.896) 3.161 8.384 ( 0.642 -2.098 -0.181) 2.201 8.506 ( -0.935 -0.598 0.385) 1.175 8.792 ( -0.142 -0.214 0.011) 0.257 8.859 ( -0.351 -2.144 1.750) 2.790 9.503 ( 0.240 -4.569 0.720) 4.632 9.866 ( -0.161 -2.268 -0.290) 2.292 ======================= Grid point 101 (39/70) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -6.974 4.318 0.068) 8.203 0.794 ( -6.151 0.664 2.059) 6.520 0.840 ( -2.969 -0.960 -2.546) 4.027 0.919 ( -4.419 6.036 -4.201) 8.579 0.975 ( -8.457 8.837 6.405) 13.808 1.019 ( 0.209 9.558 -2.237) 9.819 1.156 ( 0.696 8.694 -0.618) 8.744 1.253 ( 1.761 1.757 -2.107) 3.260 1.371 ( -5.834 9.074 -4.742) 11.784 1.492 ( 1.636 1.764 5.035) 5.581 1.553 ( 1.004 7.348 0.002) 7.417 1.608 ( 6.228 2.295 -3.112) 7.331 1.698 ( 0.913 4.740 -2.754) 5.558 1.740 ( -3.340 8.763 4.162) 10.260 1.869 ( 2.310 3.727 0.525) 4.416 1.929 ( -2.469 1.157 -0.399) 2.755 1.958 ( -2.008 -3.047 -1.074) 3.804 2.034 ( -11.064 3.385 2.444) 11.826 2.181 ( -0.056 7.992 0.481) 8.007 2.295 ( -5.497 0.192 -3.070) 6.300 2.364 ( -0.038 14.521 -0.444) 14.528 2.467 ( -0.939 13.657 -0.057) 13.689 2.582 ( -1.285 -0.944 1.779) 2.389 2.790 ( 0.034 3.550 0.789) 3.637 2.892 ( 0.070 0.484 0.177) 0.520 3.308 ( 5.291 0.616 -4.225) 6.799 3.322 ( 5.005 0.642 2.381) 5.580 3.561 ( 4.083 3.457 -0.153) 5.352 3.589 ( 3.663 -2.299 2.692) 5.094 3.698 ( 0.269 -2.908 2.164) 3.635 3.830 ( 1.038 3.695 -1.585) 4.152 3.895 ( 10.746 2.284 -0.277) 10.990 4.491 ( -1.620 -3.243 1.189) 3.814 4.994 ( -2.383 -1.643 -0.712) 2.981 5.008 ( -0.842 -1.636 0.238) 1.855 5.202 ( -1.635 1.698 0.704) 2.460 5.296 ( 4.170 11.256 -0.208) 12.006 5.543 ( -2.858 -3.354 -0.172) 4.410 5.930 ( -3.827 4.626 -0.324) 6.013 5.969 ( -7.272 -3.865 0.086) 8.236 6.300 ( 4.820 -3.198 1.700) 6.029 6.445 ( 2.391 -7.137 -0.717) 7.561 6.541 ( -6.400 8.160 -2.248) 10.611 6.698 ( 0.423 -0.702 3.660) 3.751 6.841 ( 2.348 8.543 -1.265) 8.950 6.924 ( 1.018 7.865 -0.522) 7.948 6.981 ( -1.402 -3.048 0.432) 3.382 7.083 ( 3.586 -1.912 -2.316) 4.677 7.150 ( 0.484 0.747 -0.182) 0.908 7.254 ( -3.027 -0.529 1.634) 3.481 7.352 ( -1.152 -0.162 0.319) 1.206 7.411 ( 2.092 1.693 0.029) 2.692 7.469 ( -2.445 3.515 -4.589) 6.277 7.583 ( -0.207 2.109 3.589) 4.168 7.764 ( 3.365 -0.272 -2.323) 4.098 7.822 ( 1.876 1.049 -0.296) 2.170 7.943 ( -0.077 9.356 -1.193) 9.432 8.079 ( 2.709 11.466 -1.432) 11.868 8.232 ( -4.531 -1.006 -1.786) 4.973 8.326 ( 1.569 -1.283 0.978) 2.251 8.416 ( 2.746 -1.851 1.060) 3.477 8.510 ( 1.225 -0.140 1.405) 1.870 8.808 ( 1.675 0.313 0.408) 1.752 8.873 ( 1.327 -2.473 2.046) 3.473 9.512 ( 0.623 -4.232 0.215) 4.283 9.863 ( -0.398 -2.479 0.123) 2.514 ======================= Grid point 102 (40/70) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -5.477 6.143 5.036) 9.649 0.621 ( -14.132 4.505 6.851) 16.338 0.692 ( -8.997 5.948 -3.323) 11.285 0.787 ( -1.684 -1.537 -5.651) 6.094 0.959 ( 0.704 7.872 2.416) 8.265 1.041 ( 1.762 8.951 0.491) 9.136 1.165 ( -0.343 10.129 -0.622) 10.154 1.227 ( -3.955 13.196 2.867) 14.071 1.264 ( -4.387 7.836 -5.290) 10.423 1.496 ( -2.318 7.474 4.750) 9.154 1.553 ( 1.067 4.606 0.539) 4.758 1.633 ( -1.604 8.432 2.235) 8.869 1.677 ( -2.603 2.066 0.069) 3.324 1.747 ( 0.884 8.051 -0.136) 8.101 1.818 ( -1.528 3.156 -4.191) 5.464 1.895 ( -3.021 -0.744 -1.327) 3.382 1.937 ( 2.279 3.815 0.043) 4.444 1.975 ( 0.001 -1.860 -0.171) 1.868 2.151 ( -4.274 0.400 -6.709) 7.965 2.255 ( 2.134 10.000 0.620) 10.244 2.361 ( -0.071 14.420 -0.209) 14.422 2.442 ( -1.407 12.542 0.167) 12.621 2.551 ( -1.536 -1.954 3.628) 4.398 2.778 ( -1.690 1.021 0.403) 2.015 2.866 ( -1.507 0.101 -0.387) 1.559 3.367 ( 2.248 -0.733 -1.083) 2.600 3.473 ( 8.032 4.621 -1.837) 9.447 3.617 ( 1.460 0.931 -0.410) 1.780 3.681 ( 5.241 -5.370 0.922) 7.560 3.737 ( 2.461 -1.922 4.002) 5.076 3.811 ( 0.587 3.602 0.247) 3.658 4.165 ( 13.252 -2.463 0.324) 13.483 4.453 ( -2.112 -7.012 0.168) 7.326 4.937 ( -2.420 -2.449 0.069) 3.443 4.996 ( -0.712 0.645 -1.146) 1.495 5.144 ( -4.332 -1.154 1.079) 4.611 5.387 ( 3.979 11.701 -0.555) 12.371 5.467 ( -5.042 -4.457 -0.709) 6.767 5.730 ( -10.513 -2.702 -0.853) 10.888 5.983 ( 4.600 10.922 0.015) 11.851 6.324 ( -6.244 4.887 0.093) 7.929 6.421 ( 5.546 -4.374 1.422) 7.205 6.551 ( -0.968 -1.645 -4.299) 4.704 6.685 ( -2.976 0.291 0.056) 2.991 6.821 ( -1.980 6.419 1.842) 6.966 6.959 ( -1.155 -4.257 -1.984) 4.837 6.968 ( 2.663 9.506 -1.028) 9.925 7.115 ( -2.356 -1.431 -3.018) 4.087 7.161 ( 0.525 1.538 0.753) 1.791 7.204 ( 0.607 4.454 -2.894) 5.346 7.331 ( -0.399 -1.136 -0.282) 1.237 7.437 ( -0.295 4.113 -1.847) 4.518 7.470 ( 2.526 1.122 0.811) 2.880 7.574 ( 0.232 3.748 3.916) 5.426 7.806 ( 1.862 -2.405 -1.509) 3.395 7.827 ( -1.795 0.474 3.375) 3.852 7.978 ( 3.149 9.668 -4.361) 11.064 8.111 ( -2.989 3.959 0.109) 4.962 8.174 ( 2.348 5.059 -3.271) 6.466 8.372 ( 3.132 -0.636 2.176) 3.867 8.486 ( 3.631 -1.647 -1.013) 4.114 8.560 ( 4.881 0.105 3.416) 5.959 8.849 ( 2.045 0.383 1.582) 2.614 8.898 ( 1.114 -2.327 2.049) 3.295 9.529 ( 1.427 -3.486 0.403) 3.788 9.843 ( -1.917 -2.660 0.713) 3.355 ======================= Grid point 103 (41/70) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -0.796 11.072 -1.656) 11.223 0.709 ( 0.340 5.955 -1.445) 6.137 0.784 ( 2.389 12.190 -2.577) 12.687 0.852 ( -0.038 14.884 -6.021) 16.056 1.185 ( 0.325 11.257 2.533) 11.543 1.247 ( 1.503 8.312 -1.683) 8.613 1.317 ( -0.499 3.046 -0.155) 3.091 1.359 ( -2.078 8.901 1.376) 9.243 1.436 ( -0.353 9.086 -1.493) 9.215 1.628 ( -1.290 2.453 0.795) 2.883 1.680 ( 0.970 6.749 1.039) 6.897 1.702 ( -2.470 5.337 0.916) 5.951 1.799 ( 1.036 6.273 4.456) 7.764 1.925 ( 1.671 6.868 5.612) 9.025 1.940 ( 2.495 7.102 -0.020) 7.527 1.958 ( 0.555 1.207 -1.045) 1.690 1.996 ( 0.769 10.976 3.832) 11.651 2.080 ( 0.385 10.106 -2.952) 10.535 2.215 ( -1.182 14.752 -10.047) 17.888 2.442 ( -1.748 0.422 3.234) 3.700 2.544 ( -0.330 7.643 -0.666) 7.679 2.669 ( 2.505 10.658 0.258) 10.951 2.699 ( -3.382 15.716 -2.195) 16.225 2.798 ( -0.509 10.310 -0.515) 10.336 2.938 ( 0.571 7.961 0.769) 8.018 3.372 ( 0.016 -0.265 -0.474) 0.543 3.522 ( 0.051 -5.349 0.569) 5.379 3.581 ( -0.224 -0.907 -0.824) 1.246 3.739 ( 1.117 -2.927 3.391) 4.617 3.751 ( -0.631 1.244 0.564) 1.504 3.863 ( -0.667 4.375 -1.778) 4.770 4.200 ( 0.756 -4.750 -0.539) 4.840 4.280 ( -0.793 -4.882 0.418) 4.964 4.886 ( -0.036 -1.505 0.041) 1.506 4.986 ( -0.388 0.102 -1.596) 1.646 5.100 ( 0.404 -0.007 1.252) 1.315 5.325 ( 0.374 -0.629 0.192) 0.757 5.451 ( -0.054 -0.642 -0.918) 1.122 5.925 ( -0.598 18.097 -0.565) 18.116 6.156 ( 0.154 -3.624 0.082) 3.628 6.311 ( 1.786 0.639 -0.067) 1.898 6.476 ( 0.778 -2.353 2.631) 3.615 6.527 ( 2.857 5.849 1.347) 6.647 6.605 ( -6.496 1.210 -4.696) 8.106 6.866 ( 1.704 -0.027 -2.238) 2.814 6.922 ( 0.278 1.071 -0.862) 1.403 7.064 ( -0.223 -2.068 0.349) 2.109 7.141 ( -2.324 3.284 1.758) 4.391 7.218 ( 1.266 2.646 -3.048) 4.230 7.287 ( -0.050 5.850 5.216) 7.838 7.413 ( 0.092 7.235 -5.629) 9.167 7.480 ( 0.779 2.465 -1.925) 3.223 7.610 ( 2.586 5.967 0.650) 6.535 7.633 ( -1.587 -0.507 0.871) 1.880 7.765 ( -2.379 0.401 0.823) 2.550 7.810 ( 0.882 0.801 2.070) 2.389 8.080 ( -2.437 3.436 0.128) 4.215 8.154 ( 1.732 4.435 -3.268) 5.775 8.320 ( 0.253 4.256 -0.539) 4.297 8.407 ( 0.566 -1.417 3.502) 3.820 8.498 ( 0.105 -0.222 -1.296) 1.319 8.651 ( 0.612 -0.278 -2.793) 2.872 8.809 ( 0.965 -1.961 1.754) 2.802 8.906 ( -0.865 -0.371 2.103) 2.304 9.474 ( -0.205 -4.845 0.106) 4.851 9.754 ( 0.246 -3.689 0.390) 3.718 ======================= Grid point 104 (42/70) ======================= q-point: ( 0.17 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 4.043 9.208 -0.857) 10.093 0.746 ( 3.283 3.665 -1.609) 5.177 0.849 ( 4.460 7.274 -4.582) 9.685 0.928 ( 8.009 14.217 -3.371) 16.663 1.178 ( -1.343 8.815 2.096) 9.160 1.272 ( 0.944 8.027 -2.505) 8.462 1.288 ( -2.097 1.948 -0.277) 2.875 1.344 ( 0.303 9.284 2.155) 9.535 1.397 ( -1.527 10.790 -3.687) 11.504 1.609 ( -1.570 7.070 5.345) 9.001 1.674 ( -0.363 5.093 0.569) 5.138 1.733 ( 1.429 3.016 -0.745) 3.419 1.840 ( 2.827 4.674 1.106) 5.573 1.904 ( -1.767 7.786 3.786) 8.836 1.943 ( -1.681 2.132 -1.318) 3.018 1.999 ( 2.152 1.916 -1.161) 3.107 2.057 ( 0.642 9.621 -2.885) 10.065 2.078 ( 2.626 11.738 7.639) 14.249 2.232 ( 4.129 15.331 -11.634) 19.684 2.426 ( 0.058 1.227 3.944) 4.131 2.494 ( -2.700 9.431 1.392) 9.908 2.663 ( -0.247 11.322 -2.620) 11.624 2.735 ( 3.104 10.153 2.567) 10.923 2.803 ( 1.101 13.178 -0.406) 13.230 2.963 ( 1.268 7.307 0.193) 7.419 3.353 ( -1.780 1.159 0.160) 2.130 3.521 ( -5.661 0.363 -1.459) 5.857 3.537 ( 1.430 -4.452 0.409) 4.694 3.683 ( -4.302 2.236 -0.042) 4.849 3.719 ( -3.014 -2.973 2.756) 5.052 3.875 ( 0.889 3.807 -1.012) 4.038 4.119 ( -8.490 -1.235 0.231) 8.582 4.328 ( 4.901 -3.315 0.680) 5.956 4.892 ( 1.749 -1.842 0.345) 2.563 4.995 ( 0.335 -0.819 -1.572) 1.804 5.125 ( 2.059 -1.655 0.997) 2.824 5.402 ( 5.743 -1.119 -0.265) 5.857 5.476 ( 2.349 -1.521 -0.698) 2.884 5.879 ( -2.720 14.154 0.194) 14.415 6.153 ( -1.261 1.992 -0.170) 2.364 6.313 ( 0.622 -0.017 -0.934) 1.122 6.463 ( -3.038 6.620 -0.088) 7.284 6.500 ( -2.763 -3.249 -1.420) 4.495 6.663 ( 8.526 0.227 3.285) 9.140 6.887 ( 0.583 -1.328 -3.748) 4.019 6.940 ( 1.808 1.423 -0.641) 2.389 7.043 ( -2.589 -3.582 0.609) 4.461 7.098 ( -1.305 4.491 1.877) 5.040 7.233 ( 0.697 3.494 -1.737) 3.964 7.292 ( 0.059 5.229 4.546) 6.929 7.402 ( -1.474 6.786 -3.344) 7.707 7.492 ( 0.313 3.589 -2.974) 4.672 7.535 ( -5.267 0.207 -1.916) 5.608 7.686 ( 3.250 4.886 0.663) 5.906 7.727 ( -1.399 1.433 1.178) 2.323 7.827 ( -0.347 -0.382 4.120) 4.152 8.070 ( 1.646 5.408 -1.508) 5.850 8.174 ( 0.539 2.553 -1.418) 2.969 8.324 ( 0.252 5.611 -0.544) 5.643 8.396 ( -2.072 -1.826 2.549) 3.758 8.461 ( -3.779 1.699 -2.971) 5.099 8.584 ( -4.378 -0.293 -0.988) 4.498 8.842 ( 0.410 -2.351 0.097) 2.389 8.869 ( -2.827 0.027 2.595) 3.837 9.437 ( -2.626 -4.993 0.351) 5.653 9.782 ( 1.843 -4.045 0.023) 4.445 ======================= Grid point 105 (43/70) ======================= q-point: ( 0.33 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 4.076 6.230 0.060) 7.445 0.812 ( 3.350 2.457 -2.030) 4.623 0.911 ( 1.571 4.478 -3.660) 5.993 1.082 ( 6.740 10.954 -1.313) 12.929 1.173 ( 1.513 9.247 1.955) 9.571 1.244 ( -0.936 2.859 -0.332) 3.027 1.285 ( -0.963 6.436 -1.527) 6.684 1.357 ( 2.850 5.357 -0.246) 6.073 1.431 ( 4.373 9.864 -2.529) 11.082 1.567 ( -3.429 7.494 3.982) 9.153 1.667 ( -1.054 7.162 -0.962) 7.303 1.689 ( -4.129 6.609 0.749) 7.829 1.862 ( -3.073 7.354 -2.757) 8.434 1.888 ( -0.624 -1.184 -1.073) 1.715 1.935 ( 2.566 6.080 2.413) 7.027 2.014 ( -0.163 0.888 -0.357) 0.971 2.035 ( -0.706 8.803 -3.652) 9.556 2.157 ( 2.798 5.335 5.338) 8.049 2.282 ( 1.043 7.858 -4.558) 9.144 2.468 ( 3.217 3.724 4.302) 6.537 2.510 ( 4.127 9.821 0.160) 10.654 2.655 ( -0.593 10.750 -1.920) 10.936 2.784 ( 1.868 11.140 4.068) 12.006 2.833 ( 1.972 12.925 -0.925) 13.108 2.967 ( -0.980 6.754 0.190) 6.828 3.316 ( -1.847 5.153 0.851) 5.540 3.426 ( -2.408 2.484 -3.590) 4.986 3.560 ( -1.647 -1.180 0.340) 2.054 3.607 ( -2.015 0.849 0.149) 2.192 3.667 ( -2.007 -2.023 2.212) 3.607 3.847 ( -5.157 4.736 -0.737) 7.040 3.980 ( -3.405 4.357 0.834) 5.592 4.420 ( 4.103 -2.343 0.958) 4.821 4.934 ( 1.118 -2.724 0.778) 3.046 4.993 ( 0.527 -1.653 -1.364) 2.207 5.175 ( 2.846 -3.381 0.374) 4.435 5.468 ( -0.133 0.720 0.134) 0.744 5.501 ( 0.824 -0.581 -0.741) 1.251 5.899 ( 5.543 5.841 0.305) 8.059 6.128 ( -1.546 3.503 -0.124) 3.831 6.277 ( -4.536 5.848 -0.248) 7.405 6.398 ( -3.313 2.218 0.973) 4.104 6.530 ( 5.070 -0.661 0.480) 5.136 6.777 ( 3.255 -1.095 0.420) 3.460 6.881 ( -0.791 -2.699 -1.739) 3.307 6.971 ( 0.144 2.119 0.074) 2.125 6.998 ( -0.978 -3.430 -1.092) 3.730 7.106 ( 2.110 2.803 -0.948) 3.634 7.247 ( 0.220 3.585 -1.222) 3.793 7.283 ( -3.544 -1.073 1.827) 4.129 7.322 ( -3.269 11.184 0.430) 11.660 7.445 ( -1.954 0.315 3.285) 3.835 7.527 ( 1.733 2.831 -6.463) 7.266 7.697 ( -1.538 0.811 -0.459) 1.798 7.747 ( 2.560 7.634 1.157) 8.135 7.818 ( -0.452 0.818 3.820) 3.932 8.123 ( 3.596 5.048 -3.013) 6.891 8.171 ( -0.828 4.000 1.598) 4.387 8.306 ( -2.633 3.767 1.562) 4.854 8.355 ( -1.238 -0.805 -3.104) 3.437 8.395 ( -2.045 4.410 -0.871) 4.938 8.524 ( -2.318 -0.629 0.122) 2.405 8.809 ( -2.432 -1.502 2.054) 3.520 8.833 ( -1.643 -1.078 -0.517) 2.032 9.404 ( -0.847 -4.963 0.893) 5.114 9.804 ( 0.475 -3.953 -0.340) 3.996 ======================= Grid point 106 (44/70) ======================= q-point: (-0.50 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -0.505 5.161 1.160) 5.314 0.848 ( 0.593 2.284 -2.518) 3.451 0.914 ( 0.051 5.681 -4.449) 7.217 1.160 ( -0.472 11.050 0.382) 11.067 1.190 ( 1.321 5.597 0.487) 5.772 1.234 ( -0.430 5.603 0.006) 5.620 1.256 ( -1.567 4.829 0.690) 5.123 1.432 ( -7.045 8.670 -0.413) 11.179 1.466 ( 5.970 4.620 2.826) 8.061 1.550 ( 6.010 7.769 -1.385) 9.919 1.649 ( -2.679 8.084 -0.448) 8.528 1.663 ( 2.888 5.886 -1.599) 6.748 1.764 ( -3.959 6.974 -4.623) 9.256 1.902 ( 0.865 -1.103 0.423) 1.464 1.954 ( -1.022 3.294 -1.559) 3.785 1.997 ( -0.412 6.051 0.802) 6.118 2.027 ( -1.000 7.397 0.694) 7.497 2.192 ( 0.706 -1.693 1.891) 2.634 2.276 ( -1.149 7.869 -0.489) 7.967 2.494 ( -1.912 6.597 4.572) 8.251 2.585 ( 2.440 4.457 -0.947) 5.168 2.644 ( -0.051 11.943 -1.779) 12.075 2.808 ( 0.053 17.649 2.763) 17.864 2.888 ( 3.507 4.523 0.914) 5.796 2.941 ( -0.368 8.029 -2.040) 8.292 3.306 ( 0.698 5.858 0.045) 5.900 3.380 ( -4.713 6.826 -1.220) 8.384 3.504 ( 1.082 0.582 0.985) 1.575 3.614 ( -0.331 -3.541 -0.286) 3.568 3.664 ( 0.720 3.450 1.296) 3.755 3.771 ( 0.838 6.571 -0.980) 6.696 3.963 ( -0.069 3.219 0.718) 3.299 4.464 ( 0.121 -1.741 0.913) 1.970 4.940 ( 0.668 -3.709 -0.427) 3.793 5.000 ( -0.777 -1.664 0.231) 1.851 5.210 ( 0.021 -3.253 0.124) 3.256 5.440 ( -0.080 3.385 -0.446) 3.415 5.518 ( 0.127 -1.153 -0.112) 1.165 6.030 ( 1.862 6.685 0.320) 6.947 6.057 ( -1.383 -7.021 -0.235) 7.160 6.224 ( -0.468 13.306 -0.132) 13.315 6.361 ( 0.095 1.525 1.718) 2.299 6.610 ( 2.046 -1.272 1.421) 2.797 6.801 ( -1.777 -0.044 0.414) 1.825 6.874 ( -0.064 -2.535 -0.163) 2.541 6.941 ( -0.557 4.116 -2.026) 4.622 7.000 ( 0.822 -3.182 -2.681) 4.241 7.122 ( -3.635 -1.110 -1.586) 4.118 7.177 ( 1.017 7.290 -1.301) 7.475 7.266 ( -0.679 0.619 1.730) 1.959 7.344 ( 2.797 2.975 2.372) 4.722 7.425 ( -0.775 2.228 3.308) 4.063 7.546 ( 0.777 2.224 -6.324) 6.748 7.669 ( -1.200 2.601 0.864) 2.992 7.773 ( -0.051 5.361 1.557) 5.583 7.839 ( 2.354 3.466 0.100) 4.191 8.133 ( -2.272 6.651 1.569) 7.202 8.198 ( 3.574 4.129 -2.038) 5.829 8.278 ( -0.347 -0.616 -0.360) 0.793 8.321 ( -1.751 3.019 -0.465) 3.521 8.381 ( 0.039 3.790 -0.900) 3.895 8.496 ( -0.449 -0.249 0.636) 0.818 8.788 ( 0.137 -1.558 1.460) 2.140 8.809 ( -0.522 -1.249 -0.260) 1.378 9.402 ( 0.366 -4.991 0.803) 5.069 9.805 ( -0.157 -3.792 -0.371) 3.814 ======================= Grid point 107 (45/70) ======================= q-point: (-0.33 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -2.947 7.554 -0.155) 8.110 0.822 ( -3.113 2.579 -2.805) 4.921 0.881 ( -3.989 6.319 -1.324) 7.589 1.094 ( -7.461 10.081 -2.238) 12.740 1.163 ( -2.676 9.057 3.267) 9.993 1.220 ( 0.127 9.605 -0.985) 9.657 1.261 ( 2.592 4.106 0.268) 4.863 1.366 ( 0.034 6.706 -0.948) 6.773 1.491 ( -3.887 4.711 -4.862) 7.807 1.626 ( 2.962 9.162 1.035) 9.684 1.677 ( 5.222 4.385 -3.468) 7.650 1.711 ( 1.158 7.336 3.263) 8.112 1.762 ( 3.140 2.297 0.751) 3.963 1.865 ( -3.723 3.622 0.208) 5.198 1.953 ( 0.183 4.315 0.048) 4.319 1.991 ( -1.898 6.069 1.197) 6.470 2.006 ( 0.433 3.218 0.644) 3.310 2.158 ( -5.956 8.623 4.160) 11.276 2.251 ( 0.170 4.640 -3.119) 5.594 2.459 ( -0.489 11.788 2.181) 11.998 2.572 ( -3.194 3.047 -0.748) 4.478 2.648 ( 0.206 10.052 -1.531) 10.170 2.797 ( -1.260 18.485 1.996) 18.635 2.888 ( -1.892 6.070 -2.816) 6.954 2.974 ( 0.423 8.057 -0.283) 8.073 3.320 ( 1.380 1.474 1.942) 2.802 3.370 ( 5.373 5.487 -1.612) 7.847 3.552 ( 1.932 -0.621 1.260) 2.389 3.596 ( -0.482 -3.280 0.410) 3.340 3.676 ( 1.478 3.330 1.063) 3.795 3.881 ( 6.726 3.345 -2.644) 7.964 3.972 ( 2.640 3.550 1.588) 4.701 4.426 ( -3.872 -3.067 0.635) 4.981 4.954 ( -3.793 -2.229 0.787) 4.469 4.970 ( 2.247 -2.278 -1.193) 3.415 5.176 ( -2.940 -2.595 0.312) 3.934 5.470 ( 0.641 0.913 -0.033) 1.116 5.498 ( -1.425 -0.278 -0.547) 1.552 5.910 ( -5.507 5.352 -0.270) 7.684 6.125 ( 1.120 3.403 0.068) 3.583 6.264 ( 4.213 3.563 0.479) 5.539 6.403 ( 3.211 3.717 0.467) 4.934 6.585 ( -5.033 -0.118 -3.129) 5.927 6.725 ( -2.828 1.476 4.114) 5.206 6.877 ( 0.438 -4.541 -1.252) 4.730 6.962 ( -0.825 3.233 0.390) 3.360 7.010 ( 1.497 -3.027 -2.093) 3.973 7.095 ( 1.913 2.485 -0.835) 3.245 7.220 ( 1.316 4.638 0.567) 4.854 7.256 ( 0.393 2.547 2.840) 3.835 7.387 ( 1.954 3.047 1.767) 4.029 7.427 ( 0.721 1.481 -2.431) 2.936 7.540 ( -0.506 2.376 -4.825) 5.403 7.660 ( 0.009 3.630 2.548) 4.435 7.766 ( -0.529 2.429 0.216) 2.495 7.876 ( 0.720 3.523 0.281) 3.606 8.101 ( -0.493 7.190 -1.191) 7.305 8.217 ( -2.718 0.105 -3.065) 4.098 8.290 ( 2.672 -1.453 2.545) 3.966 8.321 ( 1.331 10.823 -0.122) 10.905 8.394 ( 1.996 -0.166 -0.875) 2.185 8.512 ( 1.952 0.498 1.014) 2.255 8.805 ( 0.889 -4.176 1.708) 4.599 8.825 ( 2.533 1.539 0.214) 2.972 9.417 ( 1.208 -4.729 0.196) 4.884 9.798 ( -0.710 -3.958 -0.024) 4.021 ======================= Grid point 108 (46/70) ======================= q-point: (-0.17 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -3.683 8.978 -2.088) 9.926 0.746 ( -3.717 5.902 -2.048) 7.270 0.794 ( -3.477 9.248 -1.146) 9.946 0.927 ( -7.114 13.621 -2.764) 15.613 1.172 ( 0.866 12.421 2.607) 12.721 1.222 ( 0.843 8.482 -1.373) 8.634 1.307 ( 1.672 3.425 -0.426) 3.835 1.397 ( 3.090 6.837 -1.847) 7.727 1.411 ( -3.198 8.220 -3.090) 9.346 1.659 ( -1.367 2.015 1.115) 2.678 1.710 ( 1.916 6.781 -1.342) 7.173 1.717 ( -3.567 3.721 -0.364) 5.167 1.808 ( 1.723 5.060 7.520) 9.227 1.866 ( 2.567 5.901 1.052) 6.520 1.917 ( -4.214 11.424 6.170) 13.650 1.958 ( -0.094 1.288 0.319) 1.331 2.003 ( -0.541 6.039 0.138) 6.065 2.078 ( -0.835 12.465 -1.571) 12.592 2.251 ( -0.668 9.236 -5.855) 10.956 2.485 ( -0.608 9.702 1.881) 9.902 2.506 ( 0.172 2.556 -1.318) 2.881 2.647 ( 0.203 9.595 -1.223) 9.674 2.767 ( -2.452 19.715 0.675) 19.879 2.834 ( -3.089 5.867 -3.237) 7.379 2.951 ( -1.737 8.924 1.317) 9.186 3.355 ( 1.626 -0.114 0.099) 1.633 3.506 ( 5.051 0.943 -0.781) 5.197 3.552 ( 0.610 -4.055 -0.623) 4.148 3.651 ( 5.359 -3.446 3.430) 7.237 3.721 ( 2.636 2.779 0.777) 3.909 3.898 ( -1.733 4.092 -1.796) 4.793 4.115 ( 8.120 -2.220 0.507) 8.433 4.338 ( -4.890 -4.623 0.140) 6.731 4.892 ( -1.846 -1.798 0.292) 2.594 5.001 ( 0.533 -0.475 -1.871) 2.003 5.120 ( -2.656 -1.349 1.367) 3.278 5.395 ( -6.050 -0.970 0.019) 6.127 5.478 ( -2.096 -1.101 -0.773) 2.491 5.891 ( 2.790 13.616 -0.412) 13.905 6.144 ( 1.531 2.983 0.394) 3.376 6.290 ( -1.413 -1.541 0.227) 2.104 6.467 ( 3.429 7.851 -0.289) 8.572 6.501 ( -2.158 -3.073 -1.227) 3.950 6.704 ( -2.111 -0.335 1.388) 2.548 6.861 ( -1.502 -2.241 -1.926) 3.315 6.928 ( -1.028 2.630 -0.317) 2.841 7.052 ( 1.836 -3.681 -0.445) 4.137 7.143 ( 2.282 5.350 -0.938) 5.892 7.211 ( -0.787 0.717 -0.902) 1.396 7.279 ( 0.408 6.688 6.134) 9.084 7.419 ( 0.234 7.512 -6.526) 9.954 7.455 ( 2.670 -1.026 0.344) 2.881 7.541 ( 2.105 3.303 -1.257) 4.113 7.662 ( -0.672 3.893 2.411) 4.628 7.763 ( 0.647 0.074 -1.194) 1.360 7.851 ( -3.228 2.414 2.592) 4.793 8.117 ( 1.792 4.408 -5.774) 7.482 8.148 ( -3.590 2.995 0.811) 4.746 8.314 ( 0.344 3.277 0.040) 3.295 8.371 ( 2.629 2.271 4.169) 5.426 8.460 ( 4.136 -0.205 -2.360) 4.766 8.572 ( 4.662 1.310 -0.028) 4.843 8.816 ( -0.285 -3.998 1.892) 4.432 8.884 ( 2.839 1.215 1.248) 3.330 9.447 ( 1.988 -4.274 -0.251) 4.721 9.775 ( -1.705 -4.048 0.441) 4.415 ======================= Grid point 109 (47/70) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.322 11.171 0.908) 11.212 0.855 ( -0.269 8.875 -2.115) 9.127 0.997 ( 0.365 9.754 -1.420) 9.864 1.177 ( -0.251 14.255 -1.420) 14.328 1.325 ( -0.217 0.484 0.514) 0.739 1.386 ( 0.144 6.852 0.248) 6.858 1.416 ( -0.139 8.879 -0.172) 8.882 1.534 ( -2.579 7.292 2.093) 8.013 1.607 ( 2.237 8.047 -3.235) 8.957 1.695 ( 0.629 5.930 -1.648) 6.187 1.726 ( 0.256 2.876 -0.982) 3.050 1.785 ( -0.320 1.382 0.795) 1.626 1.854 ( -1.736 1.575 3.766) 4.436 1.934 ( 0.066 -0.428 -0.625) 0.761 1.965 ( 2.539 0.355 -2.682) 3.710 2.160 ( -2.045 6.334 2.435) 7.088 2.188 ( 3.423 3.581 5.701) 7.552 2.338 ( -1.323 10.334 -2.653) 10.751 2.404 ( 1.367 7.769 0.846) 7.934 2.571 ( -1.966 13.996 -2.134) 14.293 2.681 ( -1.503 5.930 0.381) 6.130 2.847 ( 3.537 9.057 2.968) 10.166 2.960 ( -2.484 12.686 -6.187) 14.331 3.094 ( -1.198 9.620 2.216) 9.945 3.152 ( 0.806 14.850 -1.528) 14.950 3.373 ( 0.284 -0.041 -0.468) 0.549 3.477 ( -0.080 1.429 0.097) 1.435 3.597 ( -0.282 3.485 0.709) 3.567 3.650 ( 1.259 -2.778 3.012) 4.287 3.810 ( -0.742 3.517 1.699) 3.975 3.932 ( -0.402 1.800 -2.397) 3.025 4.125 ( 0.509 -1.809 -0.296) 1.902 4.221 ( 0.153 -1.365 -0.135) 1.380 4.881 ( -0.286 1.269 0.746) 1.500 4.979 ( -0.009 -1.646 -1.975) 2.571 5.078 ( -0.110 -1.786 0.898) 2.002 5.372 ( 0.108 5.531 0.353) 5.544 5.435 ( -0.009 -0.782 0.179) 0.802 6.052 ( 0.034 -5.691 -0.038) 5.691 6.258 ( 0.539 13.443 0.625) 13.469 6.335 ( 0.167 1.640 -0.571) 1.744 6.409 ( 0.639 -2.011 1.285) 2.471 6.578 ( -2.286 0.562 -3.673) 4.362 6.668 ( 0.226 4.011 0.313) 4.030 6.845 ( 0.824 -1.791 -2.351) 3.068 6.996 ( -0.080 -4.040 0.907) 4.141 7.032 ( -0.036 9.137 0.004) 9.137 7.166 ( -1.687 -0.640 0.104) 1.807 7.242 ( 1.501 1.982 0.214) 2.495 7.394 ( -0.939 -0.589 0.491) 1.212 7.458 ( -0.396 1.786 4.927) 5.255 7.558 ( 0.947 -0.874 -0.763) 1.498 7.606 ( 3.346 4.171 -4.893) 7.249 7.721 ( -1.471 4.935 -0.133) 5.151 7.832 ( 0.533 4.821 0.205) 4.855 7.865 ( -2.740 3.256 0.960) 4.362 8.129 ( 0.274 3.256 -1.636) 3.654 8.282 ( -0.245 6.885 0.167) 6.891 8.359 ( 1.458 0.743 2.002) 2.586 8.391 ( -0.158 0.077 0.239) 0.297 8.505 ( -0.151 0.708 0.489) 0.874 8.633 ( -1.448 -1.852 -3.436) 4.163 8.791 ( 3.173 0.436 1.361) 3.480 8.914 ( -1.595 1.039 1.550) 2.455 9.394 ( -0.535 -3.095 -0.358) 3.161 9.672 ( 0.276 -4.500 0.421) 4.528 ======================= Grid point 110 (48/70) ======================= q-point: ( 0.17 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 1.532 10.783 0.249) 10.894 0.868 ( 1.899 8.113 -1.508) 8.467 1.015 ( 1.441 8.766 -1.273) 8.974 1.194 ( 2.222 10.647 -1.165) 10.938 1.310 ( -0.978 1.903 -0.166) 2.146 1.372 ( -1.534 9.898 1.082) 10.074 1.410 ( -0.299 5.438 -0.542) 5.473 1.496 ( -1.244 6.836 -0.055) 6.948 1.619 ( 0.366 11.181 -1.935) 11.353 1.710 ( 0.374 3.417 -0.304) 3.450 1.733 ( -0.351 1.154 1.980) 2.318 1.795 ( 0.898 4.955 0.208) 5.040 1.876 ( 4.054 1.386 -0.054) 4.284 1.927 ( -0.844 -0.861 -1.691) 2.077 2.007 ( 1.539 -0.231 -0.075) 1.558 2.102 ( -3.830 5.365 2.249) 6.965 2.211 ( -2.091 4.040 -0.705) 4.603 2.292 ( -2.520 5.058 0.249) 5.657 2.438 ( 1.905 9.484 0.015) 9.674 2.562 ( 1.246 12.357 0.970) 12.457 2.652 ( -1.274 6.895 2.436) 7.423 2.875 ( -2.203 7.931 -2.226) 8.527 2.936 ( 1.598 12.881 -0.734) 13.001 3.100 ( 1.148 8.633 0.715) 8.738 3.168 ( 0.769 14.336 -0.928) 14.386 3.379 ( 0.462 1.394 -0.890) 1.717 3.493 ( 1.505 1.786 -0.082) 2.337 3.588 ( -0.419 5.288 1.131) 5.424 3.658 ( 0.052 0.741 1.091) 1.320 3.739 ( -5.377 1.687 1.520) 5.837 3.940 ( 0.322 2.853 -1.188) 3.107 4.112 ( -1.658 0.680 -0.307) 1.819 4.277 ( 5.126 -1.621 -0.052) 5.376 4.874 ( 0.093 0.027 1.184) 1.188 4.971 ( -0.829 -1.861 -1.906) 2.790 5.083 ( 0.623 -2.214 0.898) 2.469 5.419 ( 2.162 0.573 0.302) 2.257 5.462 ( 3.475 2.627 -0.148) 4.359 5.983 ( -4.909 -2.903 -0.274) 5.710 6.281 ( 0.170 8.763 -0.392) 8.774 6.346 ( 1.294 4.614 -0.163) 4.795 6.431 ( 2.027 -1.539 0.302) 2.563 6.589 ( 1.745 1.847 -0.283) 2.557 6.679 ( 1.894 3.448 0.193) 3.938 6.849 ( -0.194 -2.190 -2.879) 3.622 6.966 ( -2.686 -3.824 0.774) 4.737 7.028 ( -0.142 7.638 -0.059) 7.639 7.137 ( -1.478 0.229 1.160) 1.892 7.266 ( 0.793 1.270 -0.076) 1.499 7.358 ( -2.473 -0.021 0.721) 2.576 7.442 ( -1.785 -1.656 3.369) 4.157 7.549 ( -1.613 2.524 -1.725) 3.456 7.632 ( -0.789 7.779 -7.335) 10.721 7.731 ( 3.008 -0.085 2.234) 3.748 7.809 ( -1.799 5.317 -0.179) 5.616 7.859 ( 0.707 3.242 4.060) 5.243 8.151 ( 2.027 4.152 -2.167) 5.103 8.275 ( -0.330 5.977 0.378) 5.998 8.370 ( -0.932 0.405 0.120) 1.024 8.386 ( -0.424 1.068 0.111) 1.154 8.497 ( -0.176 1.521 0.498) 1.610 8.579 ( -3.428 -0.469 -0.960) 3.591 8.808 ( -1.589 -0.719 -2.401) 2.968 8.884 ( -1.632 1.313 3.317) 3.923 9.360 ( -2.266 -2.637 0.344) 3.494 9.697 ( 1.710 -4.569 -0.025) 4.878 ======================= Grid point 111 (49/70) ======================= q-point: ( 0.33 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 1.554 8.960 0.516) 9.108 0.909 ( 2.158 6.820 -1.777) 7.371 1.037 ( 0.894 7.168 -0.756) 7.263 1.244 ( 2.054 4.318 -2.031) 5.195 1.299 ( -0.332 3.337 -0.962) 3.489 1.364 ( 1.311 9.042 2.036) 9.361 1.403 ( -0.101 6.297 0.213) 6.301 1.480 ( 0.070 7.525 -0.531) 7.544 1.640 ( 1.436 10.671 -1.187) 10.833 1.698 ( -1.407 4.178 1.396) 4.625 1.744 ( 1.452 0.725 0.010) 1.623 1.803 ( 0.070 7.108 -0.469) 7.124 1.896 ( -2.080 0.416 -1.568) 2.638 1.939 ( 0.779 0.691 0.446) 1.133 2.018 ( -2.693 2.838 2.994) 4.927 2.028 ( -1.488 1.410 -1.227) 2.389 2.151 ( -1.640 3.229 -6.364) 7.322 2.259 ( -1.200 2.869 3.830) 4.933 2.459 ( 0.238 9.857 -1.393) 9.958 2.616 ( 3.359 9.627 4.920) 11.321 2.645 ( 0.281 4.943 3.036) 5.808 2.827 ( -1.742 7.262 -3.430) 8.218 2.947 ( -0.806 6.869 1.516) 7.080 3.103 ( -1.137 6.636 -2.151) 7.068 3.180 ( 0.530 14.830 -0.169) 14.840 3.401 ( 2.074 4.824 -0.622) 5.288 3.520 ( 1.267 2.972 -0.050) 3.231 3.583 ( -1.167 4.572 -0.122) 4.720 3.638 ( -4.022 3.952 -1.431) 5.817 3.699 ( 3.993 6.978 3.837) 8.909 3.935 ( -0.427 3.215 -0.902) 3.366 4.063 ( -3.553 4.880 0.039) 6.036 4.381 ( 5.022 -1.440 0.149) 5.226 4.881 ( -0.690 -2.695 1.020) 2.963 4.958 ( 0.728 -1.632 -1.125) 2.112 5.104 ( 1.378 -3.381 0.347) 3.667 5.422 ( -1.513 -3.892 0.079) 4.176 5.522 ( 1.963 3.770 0.092) 4.252 5.935 ( 0.200 -1.631 -0.288) 1.668 6.252 ( -2.144 6.518 -0.090) 6.862 6.384 ( 2.866 5.146 -1.529) 6.085 6.477 ( -0.075 2.807 0.377) 2.833 6.605 ( 1.902 8.225 3.433) 9.113 6.733 ( 1.935 -1.891 -0.000) 2.706 6.841 ( 0.885 -1.750 -2.538) 3.207 6.930 ( -0.817 -2.828 -0.605) 3.005 7.028 ( -0.451 4.616 0.011) 4.638 7.100 ( -2.607 -1.965 0.350) 3.283 7.272 ( -0.324 1.027 1.195) 1.608 7.318 ( -1.469 1.769 -0.719) 2.409 7.401 ( -2.431 -2.458 1.831) 3.912 7.506 ( -2.309 4.283 -2.590) 5.513 7.609 ( -0.211 5.799 -3.393) 6.722 7.759 ( -1.809 3.803 -1.296) 4.406 7.810 ( 2.618 -0.082 2.293) 3.481 7.886 ( 1.692 5.046 4.161) 6.756 8.185 ( 1.483 3.251 -1.781) 3.993 8.280 ( 0.840 5.185 0.107) 5.254 8.324 ( -3.228 1.101 -1.173) 3.607 8.380 ( 0.001 2.283 -0.698) 2.388 8.508 ( 0.884 3.923 0.862) 4.112 8.520 ( -2.519 1.201 0.536) 2.842 8.758 ( -2.758 -2.136 -1.226) 3.698 8.849 ( -2.007 1.618 1.325) 2.899 9.331 ( -0.828 -2.225 0.885) 2.534 9.720 ( 0.679 -4.454 -0.358) 4.520 ======================= Grid point 112 (50/70) ======================= q-point: (-0.50 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.116 8.042 0.915) 8.094 0.932 ( 0.250 5.895 -2.397) 6.369 1.050 ( 0.592 7.019 -1.671) 7.239 1.250 ( -0.586 2.969 -0.634) 3.092 1.287 ( -0.683 2.337 0.290) 2.452 1.382 ( 0.140 6.205 0.946) 6.278 1.409 ( -0.020 9.771 0.006) 9.772 1.530 ( 1.554 3.849 0.801) 4.228 1.613 ( -0.800 8.300 -0.774) 8.374 1.706 ( 1.083 8.176 0.726) 8.279 1.757 ( 0.179 2.528 -0.896) 2.688 1.810 ( 0.469 7.705 -0.280) 7.724 1.864 ( -2.928 4.552 -4.205) 6.854 1.908 ( 0.706 1.472 0.525) 1.715 1.974 ( 0.677 -4.310 -0.454) 4.387 2.040 ( -0.081 2.937 2.410) 3.800 2.119 ( -2.594 1.882 -2.003) 3.779 2.266 ( 1.668 5.856 1.550) 6.283 2.449 ( -1.087 9.400 -0.305) 9.468 2.645 ( 0.473 6.104 0.788) 6.173 2.682 ( 1.467 5.447 6.469) 8.583 2.806 ( -0.539 4.986 -3.342) 6.027 2.938 ( 0.605 3.915 2.000) 4.438 3.079 ( -0.030 6.416 -4.034) 7.579 3.185 ( -0.047 14.854 0.096) 14.855 3.434 ( 0.164 6.689 -0.031) 6.691 3.528 ( 0.045 2.594 1.480) 2.987 3.554 ( -0.461 2.721 -0.783) 2.869 3.585 ( -1.802 7.522 -1.162) 7.822 3.787 ( 2.123 9.905 2.793) 10.508 3.929 ( 0.308 6.114 -2.059) 6.458 4.007 ( -0.914 3.909 0.779) 4.089 4.433 ( -0.197 -1.316 0.350) 1.376 4.867 ( 0.596 -3.552 -0.266) 3.611 4.970 ( -0.917 -1.273 0.757) 1.742 5.125 ( 0.496 -4.898 -0.460) 4.944 5.397 ( 0.141 -4.275 -0.122) 4.279 5.541 ( 0.184 3.172 0.107) 3.179 5.951 ( 0.211 -2.819 -0.089) 2.829 6.228 ( 0.085 7.897 0.626) 7.923 6.414 ( -3.605 4.798 -1.577) 6.205 6.449 ( 2.506 6.591 -0.439) 7.066 6.656 ( 1.696 6.716 4.602) 8.316 6.746 ( 0.446 -2.964 -0.240) 3.007 6.876 ( -0.717 1.575 -1.072) 2.036 6.924 ( 0.224 -3.862 -1.510) 4.153 7.000 ( 0.280 2.345 -0.843) 2.508 7.064 ( -1.086 -2.090 -0.296) 2.374 7.263 ( 0.027 2.257 1.047) 2.489 7.304 ( -0.339 2.119 -1.984) 2.922 7.383 ( 0.645 -1.042 3.863) 4.052 7.470 ( -0.935 1.859 -3.331) 3.928 7.606 ( -0.750 4.873 -2.002) 5.322 7.730 ( -0.156 3.553 -0.207) 3.562 7.840 ( 0.028 0.706 2.221) 2.331 7.929 ( 2.215 4.781 1.793) 5.566 8.208 ( 1.196 2.228 -0.229) 2.539 8.263 ( -2.457 -0.179 -2.954) 3.847 8.292 ( -0.236 6.540 0.960) 6.614 8.389 ( 0.867 3.149 -1.515) 3.601 8.499 ( 0.489 0.850 0.742) 1.230 8.516 ( -0.312 7.158 1.448) 7.310 8.719 ( -1.042 -3.741 -0.243) 3.891 8.831 ( 0.292 1.934 0.343) 1.986 9.328 ( 0.404 -2.167 0.771) 2.335 9.724 ( -0.163 -4.350 -0.367) 4.369 ======================= Grid point 113 (51/70) ======================= q-point: (-0.33 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -1.597 8.691 0.579) 8.856 0.911 ( -1.888 6.189 -2.217) 6.840 1.044 ( -1.402 8.289 -1.139) 8.484 1.235 ( -1.019 3.580 -0.873) 3.823 1.283 ( 0.504 5.512 -0.679) 5.576 1.380 ( -0.356 4.463 0.927) 4.572 1.407 ( -0.186 9.294 0.186) 9.298 1.484 ( -1.100 7.267 -0.804) 7.393 1.646 ( -0.473 9.874 -1.524) 10.002 1.713 ( 0.003 2.524 0.421) 2.558 1.758 ( 0.477 0.737 -0.437) 0.981 1.823 ( -0.568 6.176 -2.028) 6.525 1.839 ( 2.322 5.077 1.602) 5.808 1.943 ( -1.006 3.664 0.163) 3.803 2.003 ( 2.655 -0.434 1.901) 3.294 2.007 ( -2.786 -0.019 2.796) 3.947 2.105 ( 2.964 2.832 -2.530) 4.817 2.311 ( 2.556 6.480 -0.905) 7.024 2.417 ( -2.186 10.407 1.182) 10.699 2.649 ( -0.476 6.864 0.777) 6.924 2.703 ( 0.628 8.854 5.734) 10.567 2.781 ( -1.480 4.444 -4.623) 6.581 2.974 ( 2.222 4.013 0.555) 4.621 3.108 ( 2.797 5.269 -3.206) 6.772 3.176 ( -0.921 15.276 0.005) 15.304 3.395 ( -2.714 5.359 -0.238) 6.012 3.522 ( -1.743 4.830 -0.203) 5.139 3.573 ( 2.107 7.289 2.590) 8.017 3.583 ( 1.295 2.843 0.216) 3.132 3.750 ( -2.972 5.249 0.495) 6.052 3.955 ( 1.539 2.829 -2.559) 4.113 4.041 ( 3.196 4.814 1.668) 6.014 4.377 ( -5.111 -1.802 0.381) 5.433 4.910 ( 2.912 -3.400 0.170) 4.480 4.922 ( -2.804 -1.086 0.044) 3.008 5.116 ( -1.190 -3.061 -0.324) 3.300 5.426 ( 1.704 -3.745 -0.167) 4.118 5.526 ( -2.096 3.954 -0.103) 4.476 5.937 ( -0.439 -1.828 -0.379) 1.918 6.251 ( 1.464 7.225 -0.062) 7.372 6.341 ( -2.960 4.085 1.016) 5.146 6.495 ( 1.372 2.606 -0.856) 3.067 6.671 ( -0.868 8.899 0.520) 8.956 6.733 ( -3.326 -0.620 0.521) 3.423 6.807 ( -1.179 -1.459 -1.649) 2.498 6.936 ( 1.141 -4.206 -1.219) 4.525 7.025 ( -0.290 4.751 0.280) 4.768 7.095 ( 4.604 -1.170 0.462) 4.772 7.269 ( -0.804 1.881 1.090) 2.318 7.314 ( 2.691 1.308 -0.759) 3.087 7.416 ( 1.549 -1.121 3.833) 4.283 7.476 ( 2.207 0.939 -3.064) 3.891 7.575 ( -1.640 4.623 -1.444) 5.114 7.751 ( 1.454 5.123 0.183) 5.329 7.823 ( -1.566 1.827 0.812) 2.540 7.957 ( 0.161 3.968 0.281) 3.981 8.191 ( -2.503 1.758 -3.303) 4.501 8.260 ( 1.635 0.287 1.394) 2.167 8.287 ( 0.296 6.497 0.955) 6.573 8.400 ( 0.334 0.805 -1.515) 1.748 8.494 ( -0.830 4.094 1.972) 4.619 8.551 ( 3.729 5.473 -1.317) 6.753 8.716 ( 0.370 -4.763 1.239) 4.935 8.863 ( 2.852 2.095 0.403) 3.561 9.346 ( 1.316 -2.303 0.108) 2.655 9.714 ( -0.903 -4.430 -0.042) 4.522 ======================= Grid point 114 (52/70) ======================= q-point: (-0.17 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -2.133 10.010 0.479) 10.246 0.875 ( -1.472 7.842 -1.893) 8.201 1.009 ( -1.495 9.734 -0.845) 9.884 1.201 ( -1.892 11.692 -1.676) 11.962 1.310 ( 1.722 2.555 -0.670) 3.153 1.379 ( 0.235 5.100 1.053) 5.213 1.411 ( 0.537 9.084 -0.522) 9.115 1.514 ( 3.411 5.618 -0.973) 6.644 1.612 ( -2.275 11.358 -0.779) 11.610 1.704 ( -0.716 3.638 -0.216) 3.714 1.744 ( -1.867 1.161 -0.290) 2.218 1.808 ( -1.833 3.221 0.112) 3.707 1.872 ( 0.293 0.780 2.473) 2.610 1.913 ( 1.658 2.022 -2.451) 3.584 1.964 ( -2.405 0.793 1.420) 2.903 2.095 ( 5.148 4.352 5.157) 8.488 2.162 ( 2.044 4.710 -0.587) 5.168 2.342 ( 0.814 7.527 -1.923) 7.811 2.390 ( -0.307 10.003 1.463) 10.114 2.622 ( -2.497 10.310 -0.184) 10.610 2.705 ( -1.180 9.838 -0.501) 9.921 2.782 ( 2.560 6.264 1.133) 6.861 2.995 ( -0.253 8.241 -2.914) 8.745 3.126 ( -1.248 7.651 -0.229) 7.755 3.154 ( -0.892 15.856 -1.076) 15.917 3.370 ( -0.045 1.741 -0.339) 1.774 3.494 ( -1.407 0.641 -0.160) 1.555 3.595 ( 0.262 8.507 1.734) 8.686 3.609 ( 1.933 -0.417 2.405) 3.113 3.763 ( 3.532 1.629 0.728) 3.957 3.960 ( -0.912 2.144 -2.377) 3.329 4.096 ( 2.304 0.678 0.720) 2.507 4.273 ( -5.044 -1.901 0.157) 5.392 4.881 ( -0.635 0.985 0.856) 1.451 4.967 ( 1.965 -3.351 -1.658) 4.223 5.090 ( -1.299 -1.442 0.433) 1.989 5.423 ( -2.711 1.162 0.064) 2.950 5.460 ( -3.441 2.354 0.014) 4.169 5.982 ( 4.988 -3.280 -0.217) 5.974 6.264 ( -0.140 7.748 0.503) 7.765 6.315 ( 0.167 3.077 1.081) 3.266 6.467 ( -4.407 0.506 -1.299) 4.622 6.628 ( -1.741 7.218 -2.500) 7.834 6.680 ( -2.112 -0.699 0.487) 2.278 6.825 ( 1.533 -1.585 -1.344) 2.583 6.970 ( 2.252 -4.427 0.156) 4.969 7.027 ( 0.455 7.807 0.100) 7.821 7.165 ( 2.410 -1.697 -0.574) 3.003 7.241 ( -1.690 2.944 1.301) 3.635 7.377 ( 2.795 -0.805 0.371) 2.932 7.444 ( 1.175 0.951 4.056) 4.328 7.525 ( 2.364 0.358 -1.167) 2.661 7.564 ( 1.145 4.228 -2.491) 5.040 7.754 ( -1.460 5.038 -0.154) 5.248 7.812 ( 0.843 3.691 0.045) 3.786 7.928 ( -3.026 3.982 -0.341) 5.013 8.146 ( -1.663 1.936 -2.513) 3.582 8.278 ( 0.559 6.596 0.148) 6.621 8.321 ( 2.231 0.833 2.688) 3.591 8.396 ( -0.432 -0.029 0.018) 0.434 8.496 ( 0.707 2.122 0.758) 2.362 8.621 ( 3.246 3.072 -4.491) 6.336 8.734 ( 1.626 -3.340 3.719) 5.257 8.914 ( 1.697 1.616 0.704) 2.447 9.376 ( 1.836 -2.706 -0.531) 3.313 9.689 ( -1.598 -4.537 0.396) 4.826 ======================= Grid point 115 (53/70) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.085 8.837 1.031) 8.898 1.026 ( 0.051 8.041 -0.613) 8.065 1.153 ( 0.141 5.992 -0.416) 6.009 1.291 ( -0.232 -0.162 -0.240) 0.371 1.398 ( -0.300 4.085 1.907) 4.518 1.462 ( 0.247 2.161 0.312) 2.197 1.587 ( 0.117 7.090 -0.231) 7.095 1.666 ( -0.863 7.162 -0.760) 7.254 1.719 ( 1.803 3.745 -2.399) 4.799 1.772 ( 0.443 -1.616 0.764) 1.842 1.789 ( -2.061 3.963 1.363) 4.671 1.844 ( 0.101 4.224 -0.411) 4.245 1.919 ( 1.487 4.455 0.408) 4.714 1.947 ( -0.060 -0.300 -0.295) 0.425 1.969 ( -1.038 4.198 -3.181) 5.368 2.150 ( 0.587 -2.459 1.871) 3.145 2.250 ( 0.789 2.605 5.265) 5.927 2.437 ( -2.744 2.471 -4.228) 5.613 2.544 ( 1.874 2.281 0.593) 3.011 2.794 ( -0.160 7.470 0.560) 7.493 2.809 ( -2.979 5.298 -2.008) 6.402 2.972 ( 2.659 2.200 2.525) 4.276 3.165 ( 1.229 2.863 0.851) 3.230 3.200 ( -0.779 9.903 -2.905) 10.349 3.353 ( 0.535 4.654 -0.312) 4.695 3.417 ( -0.217 4.961 -1.186) 5.106 3.617 ( 0.151 8.936 0.534) 8.953 3.623 ( 0.676 3.054 -0.247) 3.137 3.735 ( -2.117 8.210 5.233) 9.963 3.906 ( 1.816 5.588 1.415) 6.044 3.948 ( -1.462 1.561 -3.829) 4.386 4.120 ( 0.713 0.370 -0.440) 0.916 4.237 ( -0.015 3.123 0.048) 3.123 4.864 ( -0.418 -8.330 -0.062) 8.341 4.948 ( 0.122 4.016 0.660) 4.071 5.076 ( -0.035 1.557 -0.597) 1.668 5.423 ( -0.177 -0.279 0.470) 0.575 5.526 ( -0.094 9.102 -0.008) 9.102 5.946 ( 0.113 -4.719 0.031) 4.721 6.347 ( 2.966 0.769 0.218) 3.071 6.383 ( -3.296 -0.513 -0.430) 3.364 6.424 ( 1.858 3.322 1.041) 3.946 6.682 ( -3.380 7.723 -3.979) 9.322 6.740 ( 0.825 3.823 -0.013) 3.911 6.811 ( 0.459 -0.991 -0.289) 1.130 6.912 ( 0.291 -3.920 0.797) 4.011 7.150 ( -0.248 -0.100 0.507) 0.573 7.208 ( 0.411 5.965 2.102) 6.338 7.301 ( -0.236 4.752 -0.976) 4.857 7.362 ( -0.519 -1.071 -0.605) 1.335 7.412 ( 0.111 -2.873 -0.520) 2.922 7.609 ( -0.679 1.763 0.404) 1.931 7.642 ( 4.238 0.313 2.431) 4.896 7.782 ( -2.729 -0.108 -3.341) 4.316 7.906 ( -0.093 3.493 0.947) 3.621 7.936 ( -0.835 3.939 -0.932) 4.133 8.216 ( 0.976 4.527 0.467) 4.655 8.350 ( 0.238 1.715 1.569) 2.337 8.399 ( 0.411 0.937 -0.991) 1.424 8.439 ( 0.359 5.771 0.193) 5.786 8.515 ( -0.586 0.092 1.462) 1.577 8.582 ( -1.266 -2.998 -2.285) 3.977 8.825 ( 2.457 2.676 -0.224) 3.640 8.941 ( -1.435 1.543 1.202) 2.426 9.354 ( -0.380 -0.998 -0.273) 1.102 9.582 ( 0.203 -4.571 0.365) 4.590 ======================= Grid point 116 (54/70) ======================= q-point: ( 0.17 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.595 8.132 0.859) 8.199 1.030 ( 0.552 7.654 -0.673) 7.703 1.157 ( 0.201 5.501 -0.116) 5.506 1.288 ( 0.209 0.876 -0.619) 1.093 1.378 ( -1.805 3.159 1.539) 3.950 1.465 ( -0.050 1.779 -0.264) 1.800 1.575 ( -1.337 8.290 -0.186) 8.399 1.654 ( 0.225 8.985 -1.618) 9.132 1.732 ( -2.212 0.448 2.104) 3.086 1.751 ( 0.280 2.109 -0.328) 2.153 1.795 ( 0.908 2.172 -0.223) 2.365 1.860 ( 2.290 3.373 1.001) 4.198 1.927 ( -0.981 -0.416 -1.939) 2.212 1.965 ( 1.265 -0.707 -0.780) 1.646 1.984 ( 3.230 7.723 -0.965) 8.427 2.132 ( -2.839 -1.198 0.730) 3.167 2.251 ( -0.891 1.783 5.445) 5.799 2.336 ( -6.248 1.002 -4.473) 7.749 2.590 ( 2.065 3.911 0.486) 4.449 2.758 ( -2.043 4.929 0.326) 5.346 2.783 ( -1.367 6.187 1.909) 6.618 2.972 ( -2.102 1.769 -0.933) 2.901 3.120 ( -3.907 6.015 0.340) 7.181 3.223 ( 1.061 6.409 -2.038) 6.808 3.354 ( -0.214 4.233 -0.518) 4.270 3.442 ( 2.669 4.446 -1.306) 5.347 3.611 ( -1.598 2.191 0.082) 2.713 3.653 ( 2.908 8.798 0.106) 9.267 3.751 ( 1.397 6.188 4.354) 7.695 3.850 ( -0.944 9.566 0.500) 9.626 3.990 ( 1.255 2.295 -2.251) 3.451 4.147 ( 1.703 2.840 -0.675) 3.380 4.274 ( 4.238 1.530 0.316) 4.517 4.845 ( -1.366 -5.620 0.210) 5.787 4.939 ( -0.422 1.218 0.721) 1.477 5.076 ( -0.284 1.585 -0.521) 1.693 5.406 ( -1.485 -0.552 0.472) 1.653 5.577 ( 3.181 6.550 0.127) 7.283 5.920 ( -1.083 -1.823 -0.248) 2.135 6.330 ( -0.762 0.496 -1.319) 1.602 6.433 ( 0.164 2.328 -1.159) 2.606 6.468 ( 5.654 1.703 1.316) 6.050 6.662 ( 1.884 6.537 1.222) 6.912 6.742 ( 0.055 2.023 -0.849) 2.195 6.804 ( -1.755 -2.281 -0.358) 2.900 6.908 ( 0.092 -0.847 -0.450) 0.963 7.133 ( -1.858 0.093 0.723) 1.996 7.198 ( -1.559 7.345 0.601) 7.533 7.299 ( -0.058 2.159 0.261) 2.176 7.339 ( -1.370 -0.889 -0.480) 1.703 7.408 ( -0.460 -0.217 -0.113) 0.521 7.585 ( -2.446 0.074 -0.540) 2.506 7.710 ( 2.746 -0.603 -1.966) 3.430 7.729 ( -1.748 0.322 0.924) 2.003 7.901 ( -1.250 3.989 0.166) 4.183 7.928 ( 0.529 3.887 1.062) 4.065 8.250 ( 2.342 4.981 -0.846) 5.569 8.335 ( -1.778 1.345 0.502) 2.285 8.403 ( 0.271 1.437 -1.690) 2.235 8.442 ( -0.435 5.114 0.146) 5.134 8.514 ( 0.840 0.229 2.001) 2.182 8.558 ( -1.285 -1.636 0.019) 2.081 8.819 ( -2.541 1.665 -3.291) 4.479 8.914 ( -1.661 1.549 2.918) 3.698 9.334 ( -1.301 -0.171 0.237) 1.333 9.606 ( 1.805 -4.552 0.032) 4.896 ======================= Grid point 117 (55/70) ======================= q-point: ( 0.33 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.370 7.319 0.581) 7.352 1.044 ( 0.728 6.234 -0.662) 6.311 1.159 ( 0.087 5.041 -0.097) 5.043 1.300 ( 0.856 1.421 -0.670) 1.789 1.347 ( -1.389 2.326 1.127) 2.934 1.451 ( -1.298 0.760 -1.495) 2.120 1.553 ( -0.181 8.038 0.450) 8.053 1.654 ( -0.815 8.008 -1.198) 8.138 1.727 ( 0.851 -1.073 0.908) 1.643 1.756 ( 0.926 2.568 0.889) 2.871 1.811 ( 1.698 2.732 0.109) 3.218 1.879 ( -0.569 1.649 0.328) 1.775 1.927 ( 0.632 3.173 -0.986) 3.382 1.971 ( -1.448 0.813 -0.061) 1.661 2.049 ( 3.226 5.297 0.357) 6.213 2.061 ( -4.144 0.308 -0.990) 4.272 2.197 ( -3.817 2.444 -4.590) 6.451 2.286 ( 1.247 0.374 5.254) 5.413 2.608 ( -0.364 4.036 1.129) 4.207 2.710 ( -3.360 1.280 0.079) 3.597 2.769 ( 0.072 4.418 1.986) 4.844 2.923 ( -2.444 2.159 -1.397) 3.547 3.051 ( -2.831 6.111 0.264) 6.740 3.218 ( -1.061 5.085 -2.540) 5.783 3.353 ( 0.195 3.534 -0.116) 3.542 3.491 ( 2.433 3.282 -1.230) 4.267 3.573 ( -2.127 1.245 0.701) 2.562 3.713 ( 0.328 8.984 -0.285) 8.995 3.734 ( 1.606 8.038 1.109) 8.271 3.923 ( 2.886 6.555 3.645) 8.036 3.984 ( 1.151 6.898 -2.919) 7.578 4.173 ( 0.843 5.854 -0.638) 5.948 4.372 ( 5.078 0.906 0.278) 5.165 4.818 ( -1.543 -3.926 0.232) 4.225 4.946 ( 1.070 0.795 0.836) 1.574 5.060 ( -1.152 -0.782 -0.539) 1.493 5.367 ( -2.488 -1.254 0.188) 2.792 5.601 ( 0.003 2.748 0.279) 2.762 5.938 ( 1.944 3.133 -0.038) 3.687 6.312 ( -0.820 1.032 -0.392) 1.376 6.442 ( 1.050 1.578 -2.644) 3.254 6.557 ( 2.940 3.250 0.442) 4.405 6.721 ( -2.723 -0.241 2.389) 3.631 6.727 ( 3.419 2.987 2.478) 5.172 6.808 ( 4.468 -0.713 -0.738) 4.584 6.917 ( 0.586 2.522 -1.649) 3.070 7.070 ( -4.969 -0.523 0.416) 5.013 7.163 ( -1.795 7.399 -0.829) 7.659 7.296 ( -0.251 1.396 1.300) 1.924 7.326 ( 0.113 -0.137 -0.238) 0.297 7.389 ( -1.791 1.644 0.234) 2.443 7.534 ( -1.828 -0.059 -2.746) 3.300 7.701 ( -1.122 2.266 -0.226) 2.539 7.751 ( 0.770 -3.589 -0.348) 3.687 7.865 ( -1.707 4.198 -0.017) 4.532 7.956 ( 1.797 2.772 2.859) 4.369 8.280 ( 0.155 5.234 -2.409) 5.764 8.300 ( -1.137 0.688 -0.423) 1.395 8.418 ( 1.580 2.988 -1.485) 3.692 8.430 ( -0.514 4.553 0.316) 4.593 8.524 ( -1.084 0.605 1.315) 1.809 8.556 ( 1.716 -0.527 2.938) 3.443 8.754 ( -3.430 1.780 -3.607) 5.286 8.880 ( -1.882 1.233 1.863) 2.921 9.318 ( -0.417 0.731 0.661) 1.070 9.633 ( 0.866 -4.350 -0.213) 4.440 ======================= Grid point 118 (56/70) ======================= q-point: (-0.50 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.123 6.853 0.813) 6.902 1.049 ( -0.233 5.319 -0.983) 5.414 1.163 ( 0.375 4.759 -0.653) 4.819 1.310 ( -0.243 0.257 0.331) 0.485 1.331 ( 0.376 4.613 0.623) 4.670 1.424 ( -1.224 -0.383 -1.357) 1.867 1.580 ( 2.033 6.590 0.607) 6.923 1.616 ( -2.002 5.045 -0.403) 5.443 1.730 ( -0.388 1.111 0.998) 1.543 1.791 ( 0.955 1.860 -0.871) 2.265 1.857 ( 1.067 5.662 0.313) 5.770 1.871 ( 0.925 -3.601 -1.228) 3.915 1.913 ( -0.174 3.721 0.205) 3.731 1.957 ( 0.487 4.293 -2.398) 4.941 1.995 ( -1.643 4.285 0.151) 4.592 2.081 ( 0.137 3.240 3.073) 4.468 2.137 ( -3.134 1.513 -2.059) 4.043 2.349 ( 4.116 2.405 1.753) 5.079 2.579 ( -2.406 1.695 3.270) 4.400 2.676 ( 1.006 -0.516 -2.239) 2.508 2.783 ( 0.911 3.029 1.709) 3.596 2.887 ( -1.129 3.583 -0.698) 3.821 3.027 ( 0.186 5.719 0.203) 5.725 3.197 ( -0.402 5.068 -2.587) 5.704 3.355 ( -0.178 3.473 0.125) 3.479 3.512 ( -1.021 1.504 -0.865) 2.013 3.557 ( 1.311 1.519 0.232) 2.020 3.698 ( 0.098 10.677 -0.061) 10.677 3.781 ( -0.258 11.185 1.010) 11.233 3.907 ( -0.380 -3.614 0.566) 3.678 4.042 ( 0.871 12.214 0.127) 12.246 4.172 ( -0.432 8.828 -0.728) 8.868 4.426 ( -0.201 1.051 0.237) 1.096 4.800 ( 0.163 -3.304 0.227) 3.316 4.959 ( -0.618 0.563 1.211) 1.472 5.047 ( 0.453 -2.481 -0.902) 2.679 5.340 ( 0.181 -1.082 -0.091) 1.101 5.601 ( 0.179 1.783 0.093) 1.794 5.960 ( 0.208 3.803 0.168) 3.812 6.313 ( 0.774 2.027 0.534) 2.234 6.439 ( -1.423 -0.106 -2.700) 3.054 6.575 ( -0.852 4.589 0.027) 4.668 6.686 ( 0.313 -1.048 0.825) 1.370 6.803 ( 3.144 -0.656 4.264) 5.339 6.870 ( -2.282 4.357 0.431) 4.937 6.939 ( 0.667 3.484 -2.686) 4.450 6.982 ( 0.357 -1.818 -0.294) 1.876 7.143 ( -0.033 6.963 -1.150) 7.058 7.296 ( 0.048 1.511 1.550) 2.165 7.334 ( 0.201 0.592 -0.649) 0.901 7.356 ( -0.448 0.452 0.994) 1.180 7.507 ( -1.378 2.016 -2.838) 3.744 7.685 ( -0.895 2.078 0.040) 2.263 7.753 ( 1.137 -2.692 -0.476) 2.961 7.855 ( 0.207 2.637 -0.055) 2.646 7.991 ( 1.237 1.806 2.797) 3.551 8.255 ( -1.509 0.418 -2.432) 2.893 8.296 ( 0.071 5.611 -0.624) 5.646 8.424 ( -0.012 5.674 0.116) 5.675 8.440 ( -0.216 2.195 -0.888) 2.377 8.517 ( 0.656 0.992 1.383) 1.824 8.595 ( 1.874 -1.146 3.733) 4.332 8.693 ( -2.419 2.858 -3.652) 5.231 8.864 ( 0.395 1.196 0.797) 1.490 9.318 ( 0.311 0.917 0.604) 1.141 9.639 ( -0.130 -4.205 -0.217) 4.212 ======================= Grid point 119 (57/70) ======================= q-point: (-0.33 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.583 7.661 0.827) 7.728 1.036 ( -0.664 5.805 -0.712) 5.886 1.167 ( -0.035 4.666 -0.563) 4.700 1.290 ( -0.982 1.577 0.019) 1.858 1.375 ( 3.212 4.404 -0.857) 5.518 1.405 ( -0.476 -0.771 1.503) 1.755 1.574 ( -0.506 7.715 -0.760) 7.769 1.631 ( 1.211 5.385 0.135) 5.521 1.729 ( 0.593 -0.441 0.535) 0.912 1.779 ( -0.851 3.089 -1.057) 3.374 1.838 ( -1.739 4.979 -0.673) 5.317 1.881 ( -0.537 0.716 0.116) 0.903 1.929 ( -2.568 2.365 0.050) 3.491 1.957 ( 2.588 0.167 -0.635) 2.671 2.029 ( -1.551 4.637 -0.006) 4.889 2.071 ( 4.171 5.181 1.659) 6.855 2.105 ( 0.521 -0.248 0.814) 0.998 2.407 ( 2.043 2.882 -4.153) 5.452 2.559 ( -0.343 2.553 3.773) 4.568 2.735 ( 4.906 -0.125 0.968) 5.002 2.795 ( 0.208 2.780 0.321) 2.806 2.882 ( 0.455 5.507 -0.374) 5.539 3.054 ( 2.493 5.133 0.271) 5.713 3.205 ( 1.346 4.365 -1.940) 4.963 3.347 ( -0.551 3.376 0.321) 3.435 3.479 ( -1.966 2.631 -0.257) 3.294 3.592 ( 1.741 1.941 -0.670) 2.692 3.712 ( -2.511 9.664 0.068) 9.985 3.735 ( 0.863 8.829 0.795) 8.906 3.911 ( -2.572 4.970 2.990) 6.345 4.007 ( -1.507 6.921 -2.847) 7.634 4.163 ( -1.048 6.412 -0.049) 6.497 4.367 ( -5.224 1.206 0.567) 5.392 4.826 ( 1.981 -4.880 -0.212) 5.271 4.934 ( -1.297 2.200 1.399) 2.912 5.068 ( 1.197 -1.640 -0.826) 2.192 5.372 ( 2.674 -1.294 -0.121) 2.973 5.606 ( 0.201 2.774 -0.018) 2.781 5.942 ( -2.148 3.371 -0.218) 4.003 6.324 ( -0.054 1.217 -1.308) 1.788 6.400 ( -1.580 1.917 0.295) 2.502 6.545 ( -1.994 2.073 0.940) 3.026 6.727 ( 2.714 0.212 -0.092) 2.724 6.772 ( -4.603 1.867 2.196) 5.431 6.838 ( -0.812 -3.939 -2.195) 4.582 6.890 ( -2.034 6.778 -0.651) 7.106 7.075 ( 4.742 -0.431 0.146) 4.764 7.157 ( 1.484 6.789 -0.480) 6.965 7.300 ( 0.260 1.668 1.007) 1.966 7.333 ( 0.573 1.042 -0.867) 1.472 7.385 ( 2.017 0.017 0.897) 2.207 7.492 ( 0.999 0.579 -0.215) 1.174 7.659 ( -1.672 2.504 0.442) 3.043 7.799 ( 2.364 -1.472 -1.508) 3.167 7.865 ( 1.235 3.714 -0.036) 3.914 7.998 ( -0.752 0.700 0.458) 1.125 8.230 ( -1.004 1.779 0.278) 2.062 8.301 ( 0.671 4.402 -0.625) 4.496 8.408 ( -1.340 3.378 -0.315) 3.648 8.438 ( 0.421 4.363 -0.576) 4.421 8.526 ( -0.275 0.763 1.278) 1.514 8.624 ( 0.049 -4.465 0.872) 4.550 8.679 ( 2.257 5.922 -1.054) 6.425 8.896 ( 2.616 1.051 0.574) 2.877 9.329 ( 0.751 0.480 0.077) 0.894 9.628 ( -1.039 -4.226 0.031) 4.352 ======================= Grid point 120 (58/70) ======================= q-point: (-0.17 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.873 8.762 0.997) 8.862 1.028 ( -0.202 7.120 -0.576) 7.146 1.158 ( -0.647 5.649 -0.155) 5.688 1.288 ( 0.539 0.460 -0.641) 0.955 1.394 ( 0.158 2.487 0.926) 2.659 1.441 ( 2.233 2.482 0.792) 3.432 1.577 ( 0.657 7.442 -0.437) 7.483 1.649 ( 1.276 6.905 -1.111) 7.109 1.747 ( -0.291 1.825 -0.046) 1.849 1.778 ( -1.783 1.924 1.697) 3.125 1.783 ( -0.140 2.345 -1.565) 2.822 1.854 ( -1.578 1.273 1.217) 2.365 1.904 ( 0.301 3.917 -1.051) 4.066 1.979 ( -1.243 2.103 -0.456) 2.485 1.985 ( -1.031 4.531 -2.340) 5.203 2.125 ( 1.387 -0.583 3.169) 3.508 2.189 ( 5.337 1.736 2.665) 6.213 2.436 ( 1.945 2.810 -6.170) 7.053 2.547 ( -1.412 3.251 3.154) 4.745 2.791 ( 0.230 6.505 0.442) 6.524 2.839 ( 2.764 -0.428 -3.628) 4.581 2.894 ( 2.193 6.506 4.345) 8.125 3.112 ( 3.264 4.649 0.665) 5.719 3.222 ( 0.055 4.949 -2.050) 5.358 3.343 ( 0.245 3.932 0.312) 3.952 3.441 ( -1.847 4.350 -0.998) 4.830 3.613 ( 0.623 2.927 -0.153) 2.996 3.641 ( -2.946 9.934 0.919) 10.403 3.807 ( -0.513 9.205 3.447) 9.842 3.815 ( -0.212 5.753 0.059) 5.757 4.000 ( -0.892 2.708 -3.104) 4.215 4.133 ( -1.705 2.511 0.271) 3.047 4.272 ( -3.971 2.042 0.468) 4.489 4.857 ( 1.197 -7.561 -0.529) 7.674 4.931 ( 0.752 3.788 1.231) 4.053 5.080 ( 0.095 0.561 -0.701) 0.903 5.411 ( 1.229 -0.512 0.194) 1.346 5.582 ( -3.504 7.028 -0.149) 7.854 5.918 ( 1.009 -1.671 -0.110) 1.955 6.316 ( -0.030 -0.194 -0.685) 0.712 6.392 ( 0.690 4.087 1.554) 4.427 6.485 ( -5.126 -0.004 -0.267) 5.133 6.716 ( 0.373 3.993 0.919) 4.114 6.764 ( -3.600 2.861 -5.503) 7.171 6.799 ( 0.889 1.284 0.372) 1.605 6.889 ( 1.256 -2.385 1.254) 2.973 7.137 ( 1.862 -0.776 0.500) 2.078 7.187 ( 1.388 6.172 1.420) 6.484 7.305 ( 0.108 4.268 -0.767) 4.338 7.353 ( 1.269 -0.199 -0.704) 1.465 7.407 ( 0.446 -1.825 -0.265) 1.897 7.553 ( 4.575 0.010 2.307) 5.124 7.628 ( -1.466 2.200 0.480) 2.687 7.814 ( -0.296 0.289 -2.285) 2.322 7.896 ( 1.339 4.438 0.346) 4.649 7.967 ( -2.106 0.974 -1.513) 2.770 8.214 ( -0.696 3.885 1.622) 4.267 8.325 ( 1.801 2.040 0.498) 2.767 8.394 ( -0.017 1.938 -0.824) 2.106 8.439 ( -0.267 5.544 0.221) 5.555 8.520 ( -0.246 0.481 1.228) 1.341 8.609 ( -1.131 -3.611 -2.463) 4.516 8.752 ( 4.471 4.021 1.260) 6.144 8.942 ( 1.505 1.109 0.578) 1.957 9.345 ( 0.983 -0.488 -0.399) 1.168 9.601 ( -1.723 -4.389 0.350) 4.728 ======================= Grid point 121 (59/70) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -0.011 3.591 -0.158) 3.594 1.151 ( -0.029 3.861 0.457) 3.888 1.239 ( -0.025 2.899 -0.229) 2.908 1.282 ( -0.026 -0.533 -0.112) 0.545 1.443 ( 0.091 2.242 0.690) 2.348 1.487 ( -0.084 0.858 -0.122) 0.870 1.661 ( -0.057 0.290 -0.829) 0.880 1.723 ( 0.638 -2.111 -0.149) 2.210 1.751 ( 1.855 1.582 2.782) 3.699 1.812 ( -0.592 4.713 -1.956) 5.137 1.839 ( -0.732 -2.383 0.319) 2.513 1.859 ( -0.746 -0.937 -0.948) 1.528 1.969 ( 2.757 7.294 0.851) 7.844 1.983 ( -3.056 2.324 -0.152) 3.843 2.125 ( 1.387 1.495 0.594) 2.124 2.129 ( -1.568 5.479 -0.082) 5.699 2.305 ( 1.022 3.252 3.128) 4.626 2.453 ( -3.978 -0.299 -3.429) 5.261 2.528 ( 2.926 -2.570 -0.866) 3.989 2.747 ( -0.617 -8.671 -0.087) 8.694 2.914 ( 0.000 4.814 0.191) 4.818 3.009 ( 0.703 1.890 0.305) 2.039 3.264 ( 0.015 5.444 -0.645) 5.482 3.337 ( 0.905 4.705 -0.352) 4.804 3.414 ( -0.173 1.049 1.921) 2.196 3.486 ( 0.380 1.372 -1.829) 2.318 3.680 ( -0.529 5.545 0.569) 5.599 3.815 ( 0.075 6.866 0.137) 6.868 3.876 ( -2.688 5.663 4.594) 7.771 3.967 ( 4.062 2.624 -1.878) 5.188 4.056 ( -3.161 6.896 0.544) 7.605 4.155 ( 2.051 3.734 -3.239) 5.352 4.310 ( -0.501 3.264 0.624) 3.360 4.665 ( -0.020 -10.910 -0.062) 10.910 5.048 ( -0.848 5.350 1.214) 5.551 5.118 ( 0.731 2.266 -0.757) 2.499 5.434 ( -0.081 1.595 0.041) 1.598 5.656 ( -0.390 1.482 -0.537) 1.624 5.912 ( 0.012 3.256 -0.047) 3.256 6.311 ( 1.383 -4.583 0.497) 4.812 6.401 ( -0.758 3.402 -0.999) 3.626 6.509 ( 0.896 4.601 2.055) 5.118 6.729 ( -0.827 -1.522 -0.895) 1.950 6.764 ( -0.521 -5.213 -0.234) 5.244 6.829 ( -0.034 5.385 0.489) 5.407 6.934 ( 0.181 4.802 -1.356) 4.993 7.165 ( 0.136 2.008 0.961) 2.230 7.263 ( 0.680 1.327 2.845) 3.212 7.340 ( -1.342 -1.098 -1.943) 2.604 7.405 ( -1.409 3.966 0.067) 4.209 7.440 ( 1.643 5.647 -2.953) 6.581 7.562 ( 0.497 -4.776 1.665) 5.082 7.654 ( 1.815 -0.387 1.708) 2.522 7.730 ( -2.631 -4.359 -3.084) 5.953 7.976 ( -0.053 3.091 0.151) 3.095 7.998 ( 0.029 2.210 -0.262) 2.225 8.289 ( 1.028 3.292 1.597) 3.800 8.378 ( 0.358 0.987 -1.459) 1.798 8.450 ( 0.011 3.832 0.274) 3.842 8.502 ( -1.034 -1.357 1.265) 2.124 8.518 ( -0.165 -0.482 -0.421) 0.661 8.536 ( 0.212 0.830 -0.514) 0.999 8.883 ( 1.270 3.041 -0.517) 3.336 8.966 ( -0.869 0.800 1.020) 1.561 9.352 ( -0.183 0.672 -0.180) 0.719 9.497 ( 0.053 -3.994 0.195) 3.999 ======================= Grid point 122 (60/70) ======================= q-point: ( 0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.508 2.947 -0.082) 2.991 1.145 ( -0.491 3.322 0.312) 3.373 1.240 ( 0.089 2.944 -0.232) 2.955 1.289 ( 0.776 -0.466 -0.221) 0.932 1.424 ( -1.842 2.573 0.344) 3.183 1.483 ( -0.378 0.664 0.054) 0.766 1.664 ( 0.027 0.821 -0.150) 0.835 1.716 ( -1.896 -2.181 0.326) 2.908 1.775 ( 0.341 2.789 2.838) 3.994 1.796 ( -0.682 2.056 -3.526) 4.139 1.826 ( -0.692 -1.773 0.941) 2.123 1.878 ( 2.887 0.377 -1.032) 3.088 1.908 ( -2.317 3.039 0.506) 3.855 2.032 ( 1.972 5.249 0.192) 5.610 2.084 ( -2.494 -0.427 -0.054) 2.531 2.160 ( 1.936 5.934 0.122) 6.243 2.302 ( -1.415 3.556 3.956) 5.504 2.354 ( -5.013 1.136 -3.898) 6.451 2.593 ( 2.817 -2.745 0.247) 3.941 2.714 ( -2.497 -6.970 -0.204) 7.406 2.890 ( -2.682 4.485 0.540) 5.253 2.999 ( -1.762 1.137 -0.563) 2.171 3.232 ( -2.799 4.695 -0.672) 5.507 3.326 ( -2.128 3.574 0.019) 4.159 3.391 ( -1.221 0.740 0.968) 1.725 3.504 ( 1.677 1.347 -2.281) 3.135 3.649 ( -2.530 3.896 1.106) 4.775 3.816 ( -0.325 4.367 0.024) 4.379 3.882 ( 1.854 6.803 2.110) 7.360 4.000 ( -0.945 2.864 2.053) 3.648 4.070 ( 5.027 7.938 -2.430) 9.705 4.221 ( 4.017 4.493 -2.452) 6.506 4.328 ( 3.229 3.167 1.355) 4.721 4.693 ( 2.385 -8.539 -0.083) 8.867 5.001 ( -2.465 4.204 1.185) 5.015 5.116 ( -1.610 1.751 -0.573) 2.447 5.417 ( -1.566 1.946 -0.043) 2.498 5.638 ( -1.821 -1.057 -0.022) 2.106 5.964 ( 5.281 6.388 0.077) 8.289 6.323 ( 0.340 -1.838 -1.545) 2.425 6.469 ( 4.696 1.635 0.669) 5.017 6.513 ( 0.808 3.747 0.005) 3.833 6.703 ( -1.693 -2.104 0.522) 2.751 6.735 ( -1.761 -4.188 0.533) 4.575 6.824 ( 0.050 5.953 0.458) 5.971 6.957 ( 1.959 3.782 -1.424) 4.491 7.151 ( -1.908 2.085 0.540) 2.877 7.273 ( -0.145 1.027 1.789) 2.068 7.319 ( -0.389 -0.366 -0.196) 0.569 7.369 ( -1.966 4.351 -0.156) 4.777 7.467 ( 1.190 5.102 -2.083) 5.638 7.546 ( -2.143 -3.951 0.704) 4.550 7.670 ( -1.054 -3.295 -2.239) 4.120 7.698 ( 0.396 -2.717 1.730) 3.246 7.973 ( -0.889 3.119 -0.026) 3.243 7.994 ( 0.093 2.493 -0.058) 2.496 8.322 ( 1.965 2.748 1.418) 3.664 8.365 ( -1.313 1.349 -3.227) 3.736 8.456 ( 0.577 3.719 0.083) 3.764 8.493 ( -0.080 -0.873 1.292) 1.562 8.512 ( -0.318 -0.913 0.711) 1.200 8.543 ( 0.545 1.524 0.003) 1.619 8.862 ( -2.863 2.428 -2.136) 4.319 8.937 ( -2.272 0.639 1.940) 3.055 9.348 ( -0.032 1.520 0.093) 1.523 9.521 ( 1.925 -4.070 0.108) 4.503 ======================= Grid point 123 (61/70) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.827 1.793 -0.280) 1.995 1.138 ( -0.333 2.376 0.309) 2.419 1.243 ( 0.261 3.197 -0.379) 3.230 1.304 ( 0.615 -0.596 -0.110) 0.864 1.391 ( -1.352 2.476 0.624) 2.889 1.469 ( -1.087 1.556 -0.714) 2.028 1.649 ( -1.529 0.996 1.023) 2.092 1.686 ( -0.367 -2.253 1.006) 2.495 1.764 ( -1.250 4.614 -1.152) 4.918 1.786 ( -0.418 -2.194 -1.385) 2.627 1.826 ( 0.837 1.984 0.865) 2.320 1.886 ( -0.685 -0.637 0.351) 0.999 1.940 ( 2.836 -1.387 -0.074) 3.158 2.034 ( -2.495 -2.349 -1.044) 3.583 2.058 ( 0.943 7.481 -0.209) 7.543 2.193 ( 0.769 6.382 -1.140) 6.528 2.273 ( -1.953 5.117 1.344) 5.639 2.296 ( 0.731 1.498 1.097) 1.995 2.610 ( -2.207 -3.264 3.185) 5.067 2.659 ( -2.346 -5.345 -3.689) 6.905 2.834 ( -2.335 3.343 1.351) 4.296 2.956 ( -2.210 1.025 0.476) 2.482 3.175 ( -2.474 5.318 -0.663) 5.903 3.288 ( -1.627 1.723 -0.727) 2.479 3.384 ( 0.139 1.186 0.075) 1.197 3.530 ( 0.987 0.690 -2.403) 2.688 3.606 ( -1.744 2.738 1.169) 3.450 3.804 ( -0.834 -1.834 0.121) 2.018 3.905 ( 0.391 8.304 0.236) 8.316 3.981 ( -0.874 4.633 1.395) 4.917 4.180 ( 5.707 8.274 -0.360) 10.057 4.280 ( 2.391 4.749 -1.357) 5.487 4.421 ( 5.206 3.817 0.768) 6.501 4.728 ( 1.015 -5.047 0.101) 5.149 4.986 ( 0.431 2.923 1.091) 3.150 5.067 ( -2.802 0.908 -0.555) 2.998 5.379 ( -2.129 2.455 -0.239) 3.258 5.604 ( -1.302 -2.040 -0.023) 2.420 6.056 ( 3.066 7.751 0.399) 8.345 6.318 ( -0.291 -0.282 -1.178) 1.246 6.477 ( -0.740 2.024 -1.154) 2.445 6.600 ( 4.469 1.766 -0.689) 4.855 6.680 ( -0.720 -3.768 3.275) 5.044 6.711 ( -0.684 -2.179 0.479) 2.333 6.863 ( 4.558 4.604 -0.273) 6.484 6.994 ( 1.994 3.212 -0.867) 3.879 7.089 ( -4.754 3.061 0.430) 5.670 7.253 ( -1.611 1.529 -0.974) 2.425 7.322 ( 0.314 0.212 1.280) 1.335 7.347 ( -0.415 3.521 0.648) 3.604 7.455 ( -2.551 3.674 0.416) 4.492 7.529 ( 1.498 -0.012 -2.407) 2.835 7.657 ( -0.610 -5.299 -0.398) 5.349 7.695 ( -0.863 -2.349 0.972) 2.685 7.944 ( -1.664 3.695 -0.241) 4.060 8.005 ( 0.816 2.012 0.557) 2.242 8.316 ( -1.991 1.868 -1.265) 3.009 8.374 ( 1.878 2.845 -1.513) 3.730 8.471 ( 0.983 3.051 -0.034) 3.205 8.491 ( -0.270 1.018 0.515) 1.172 8.515 ( 0.384 -2.238 1.964) 3.002 8.554 ( 0.467 1.652 0.557) 1.805 8.802 ( -2.738 2.547 -2.364) 4.424 8.892 ( -2.216 -0.029 1.299) 2.569 9.351 ( 0.228 2.476 0.397) 2.518 9.551 ( 1.046 -3.973 0.021) 4.109 ======================= Grid point 124 (62/70) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.060 1.291 -0.470) 1.375 1.134 ( -0.088 1.887 0.451) 1.942 1.247 ( 0.090 3.246 -0.498) 3.285 1.309 ( -0.095 -0.497 0.078) 0.512 1.380 ( 0.152 1.507 0.879) 1.751 1.450 ( -0.475 3.172 -1.048) 3.374 1.639 ( 0.538 0.128 0.586) 0.805 1.684 ( -0.546 -3.476 2.430) 4.277 1.729 ( -1.762 4.893 -0.941) 5.285 1.802 ( 2.392 -1.224 -3.365) 4.306 1.846 ( 0.773 2.202 0.287) 2.351 1.875 ( -0.278 -2.325 0.127) 2.345 1.971 ( 0.677 -2.251 -0.801) 2.484 1.995 ( -1.625 -0.995 0.857) 2.089 2.065 ( -0.217 7.556 0.193) 7.562 2.183 ( -0.867 5.230 -0.876) 5.373 2.244 ( -1.267 7.770 1.942) 8.109 2.372 ( 5.270 0.518 -0.230) 5.301 2.532 ( -3.471 -4.253 1.968) 5.831 2.645 ( 0.551 -3.228 -2.234) 3.964 2.822 ( 0.736 2.055 1.043) 2.419 2.933 ( -0.181 0.927 1.408) 1.696 3.152 ( 0.076 5.911 -1.019) 5.999 3.264 ( -0.623 1.808 -0.790) 2.069 3.386 ( -0.103 0.853 -0.049) 0.860 3.529 ( -0.753 0.456 -1.510) 1.748 3.597 ( 0.694 2.475 0.414) 2.604 3.794 ( 0.065 -6.318 -0.092) 6.319 3.907 ( 0.056 9.063 0.052) 9.063 3.976 ( -0.045 7.684 1.315) 7.796 4.240 ( 0.058 7.263 0.069) 7.263 4.302 ( -0.078 4.326 -0.933) 4.426 4.480 ( 0.100 4.108 0.235) 4.116 4.735 ( -0.055 -3.453 0.480) 3.487 4.997 ( 0.161 2.921 1.027) 3.100 5.034 ( -0.271 0.851 -0.656) 1.109 5.356 ( 0.048 2.533 -0.309) 2.552 5.594 ( 0.227 -2.305 -0.288) 2.334 6.076 ( -0.090 7.011 0.202) 7.015 6.328 ( 0.936 -0.410 -0.012) 1.022 6.450 ( -1.537 1.666 -1.473) 2.703 6.630 ( -1.234 1.165 0.151) 1.704 6.681 ( 0.958 0.153 0.119) 0.977 6.726 ( 1.397 -4.198 2.616) 5.140 6.953 ( -1.847 0.272 -0.113) 1.871 6.990 ( 0.082 3.552 -1.826) 3.995 7.031 ( 1.843 6.129 1.160) 6.505 7.230 ( -0.555 1.634 -1.217) 2.111 7.329 ( 0.321 -0.773 1.147) 1.420 7.343 ( 0.034 3.158 0.420) 3.186 7.420 ( -0.628 4.868 0.939) 4.997 7.547 ( -1.094 1.799 -2.418) 3.206 7.654 ( 1.722 -5.099 0.595) 5.415 7.687 ( 0.129 -2.661 -0.443) 2.701 7.925 ( -0.101 3.891 -0.131) 3.895 8.018 ( 0.320 1.103 0.707) 1.349 8.283 ( -1.163 2.533 -1.349) 3.097 8.392 ( 0.168 3.356 -1.043) 3.518 8.486 ( -0.306 1.193 0.395) 1.293 8.488 ( 0.364 2.238 0.058) 2.268 8.527 ( 0.693 -1.915 2.005) 2.858 8.559 ( -0.002 0.758 0.373) 0.845 8.765 ( -0.806 3.304 -1.767) 3.832 8.872 ( 0.218 -0.393 0.597) 0.747 9.356 ( 0.191 2.717 0.388) 2.751 9.560 ( -0.051 -3.849 0.012) 3.849 ======================= Grid point 125 (63/70) ======================= q-point: (-0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 1.033 1.905 -0.463) 2.216 1.135 ( 0.176 2.454 0.499) 2.510 1.245 ( -0.105 3.027 -0.526) 3.074 1.300 ( -0.743 -0.263 0.112) 0.796 1.395 ( 1.182 1.233 0.574) 1.802 1.456 ( 1.106 3.417 -0.136) 3.594 1.666 ( 1.889 -0.879 0.178) 2.091 1.684 ( 0.822 -2.414 2.134) 3.325 1.703 ( -1.063 4.061 -0.391) 4.216 1.834 ( 0.862 -0.979 -2.682) 2.983 1.853 ( 0.359 1.951 -0.820) 2.147 1.877 ( -0.375 -1.126 1.153) 1.655 1.931 ( -3.136 -0.629 0.392) 3.222 2.025 ( 3.837 -2.920 -0.767) 4.882 2.059 ( -0.163 7.463 -0.131) 7.466 2.162 ( -1.492 5.531 1.108) 5.835 2.235 ( 0.353 8.004 1.265) 8.111 2.425 ( 1.311 -0.828 -6.036) 6.232 2.544 ( 2.372 -2.200 5.994) 6.811 2.669 ( 2.327 -5.295 -1.471) 5.968 2.852 ( 2.150 2.726 0.094) 3.474 2.952 ( 1.748 1.402 0.726) 2.355 3.174 ( 2.325 6.171 -0.671) 6.629 3.271 ( 1.363 2.316 0.279) 2.701 3.381 ( -0.147 1.104 0.243) 1.140 3.508 ( -1.162 0.543 -0.867) 1.548 3.625 ( 2.048 1.920 -0.234) 2.817 3.806 ( 0.866 -2.280 0.019) 2.439 3.910 ( 0.159 8.399 -0.068) 8.400 3.978 ( 0.067 5.648 1.583) 5.866 4.184 ( -5.148 7.651 -0.521) 9.236 4.272 ( -3.104 4.487 -0.909) 5.532 4.426 ( -4.880 4.382 0.438) 6.574 4.726 ( -1.114 -5.129 0.196) 5.253 4.994 ( -0.114 3.345 0.798) 3.441 5.058 ( 2.606 0.595 -0.259) 2.686 5.381 ( 2.296 2.133 -0.326) 3.150 5.611 ( 1.550 -2.052 -0.366) 2.598 6.059 ( -2.665 7.296 0.283) 7.772 6.320 ( -1.532 -1.196 -1.554) 2.488 6.445 ( 0.909 2.799 1.065) 3.130 6.582 ( -3.506 2.155 0.583) 4.157 6.709 ( 1.615 -2.296 0.148) 2.811 6.740 ( -0.259 -4.853 0.145) 4.862 6.845 ( -4.216 4.872 0.470) 6.460 6.998 ( -1.461 2.398 -1.328) 3.107 7.102 ( 3.820 3.928 0.186) 5.482 7.229 ( 0.450 1.298 0.323) 1.412 7.336 ( 0.578 0.287 0.744) 0.985 7.363 ( 1.849 2.315 -0.359) 2.984 7.436 ( 1.829 4.402 1.453) 4.983 7.506 ( -1.731 1.243 -1.321) 2.508 7.661 ( -1.018 -1.988 -0.633) 2.322 7.731 ( 3.204 -4.740 -0.969) 5.802 7.941 ( 1.648 3.677 -0.111) 4.031 8.014 ( -0.812 1.030 0.091) 1.315 8.273 ( 0.037 2.897 0.800) 3.005 8.382 ( -0.913 2.991 -1.525) 3.479 8.468 ( -1.068 3.549 0.204) 3.712 8.500 ( 0.746 0.165 -0.209) 0.792 8.538 ( 0.200 -1.911 0.991) 2.162 8.550 ( -1.006 0.072 0.622) 1.185 8.775 ( 2.063 3.896 -0.814) 4.483 8.901 ( 2.587 -0.523 0.542) 2.694 9.358 ( -0.050 2.302 0.043) 2.303 9.549 ( -1.110 -3.799 0.106) 3.960 ======================= Grid point 126 (64/70) ======================= q-point: (-0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.338 3.005 -0.221) 3.032 1.143 ( 0.635 3.529 0.416) 3.610 1.242 ( -0.186 2.936 -0.344) 2.961 1.287 ( -0.504 -0.418 -0.141) 0.669 1.423 ( 1.568 2.141 0.565) 2.713 1.479 ( 1.017 1.649 0.045) 1.938 1.674 ( -0.970 -0.164 -1.065) 1.450 1.703 ( 1.435 0.084 1.465) 2.052 1.717 ( 1.389 -0.386 2.206) 2.636 1.831 ( -1.336 2.738 -1.429) 3.365 1.851 ( -0.659 -2.632 -0.202) 2.720 1.872 ( 1.065 2.344 -1.224) 2.851 1.905 ( 0.747 1.790 0.636) 2.041 2.043 ( -1.597 4.919 -0.388) 5.186 2.093 ( 1.924 0.112 -0.329) 1.955 2.146 ( -0.121 5.849 1.022) 5.939 2.262 ( 2.351 5.101 1.742) 5.881 2.451 ( 2.279 -1.034 -6.352) 6.828 2.548 ( -2.446 -1.523 3.540) 4.565 2.725 ( 2.844 -8.356 -0.260) 8.830 2.894 ( 1.953 4.119 0.155) 4.561 2.985 ( 1.549 2.282 0.193) 2.765 3.228 ( 3.057 6.193 -0.442) 6.921 3.310 ( 2.138 3.748 0.938) 4.416 3.392 ( 1.352 1.334 0.917) 2.109 3.489 ( -0.579 0.496 -1.328) 1.531 3.665 ( 1.895 3.518 0.104) 3.997 3.815 ( 0.117 4.489 0.074) 4.491 3.917 ( 0.936 5.714 -0.306) 5.798 3.954 ( -3.947 4.645 3.679) 7.120 4.102 ( -2.116 7.134 -2.690) 7.912 4.191 ( -4.667 3.591 -0.713) 5.932 4.340 ( -3.358 3.983 0.440) 5.228 4.692 ( -2.244 -8.652 -0.042) 8.938 5.015 ( 2.369 4.392 0.614) 5.028 5.105 ( 1.639 1.600 -0.130) 2.294 5.420 ( 1.495 1.618 -0.195) 2.212 5.647 ( 1.837 -1.260 -0.491) 2.281 5.968 ( -5.635 6.782 -0.107) 8.818 6.297 ( -0.441 -1.618 -0.047) 1.678 6.459 ( -0.940 1.933 1.036) 2.386 6.503 ( -3.396 3.023 0.415) 4.566 6.729 ( 0.838 -2.417 -0.621) 2.632 6.748 ( 1.402 -5.412 -0.295) 5.599 6.821 ( 0.416 5.557 0.529) 5.598 6.958 ( -2.135 4.070 -1.372) 4.797 7.150 ( 1.445 2.659 0.570) 3.079 7.245 ( 0.906 1.344 2.301) 2.814 7.351 ( 0.578 -0.297 -1.027) 1.215 7.398 ( 1.755 3.176 -1.001) 3.764 7.443 ( -1.302 5.555 -1.558) 5.915 7.521 ( 2.962 -2.609 2.157) 4.498 7.642 ( -0.566 -0.861 -0.305) 1.074 7.762 ( 0.000 -4.822 -1.991) 5.217 7.972 ( 1.142 3.145 -0.066) 3.346 7.997 ( -0.548 1.786 -0.265) 1.887 8.278 ( 0.177 3.071 2.514) 3.973 8.370 ( 0.174 2.034 -1.971) 2.838 8.454 ( -0.435 3.940 0.236) 3.971 8.511 ( 0.330 -0.687 -0.080) 0.767 8.528 ( -1.203 0.182 0.696) 1.402 8.537 ( -0.239 -1.183 -0.282) 1.239 8.831 ( 3.531 3.727 -0.076) 5.134 8.953 ( 2.190 -0.111 0.625) 2.280 9.354 ( -0.183 1.334 -0.254) 1.370 9.519 ( -1.899 -3.848 0.210) 4.296 ======================= Grid point 127 (65/70) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.068 1.203 -0.167) 1.216 1.179 ( -0.054 -0.231 0.081) 0.251 1.267 ( -0.109 0.293 0.026) 0.314 1.271 ( 0.003 -0.413 -0.079) 0.421 1.500 ( 0.112 2.459 -0.338) 2.485 1.509 ( -0.222 1.098 -0.361) 1.177 1.664 ( 0.412 1.154 -0.100) 1.230 1.693 ( 0.299 -0.721 -0.185) 0.802 1.722 ( 0.690 -2.531 2.166) 3.402 1.748 ( -0.505 -4.173 -0.539) 4.238 1.889 ( -0.243 2.576 -0.809) 2.711 1.901 ( 0.009 1.624 -0.585) 1.726 2.011 ( 0.366 2.241 -0.029) 2.271 2.059 ( -0.278 -1.246 0.683) 1.448 2.158 ( -0.476 4.770 0.682) 4.842 2.213 ( -0.390 0.623 1.678) 1.832 2.370 ( 1.140 3.150 -1.033) 3.506 2.432 ( -0.425 -2.480 -3.758) 4.522 2.499 ( -0.138 1.380 0.949) 1.680 2.583 ( -0.318 -6.763 0.967) 6.839 2.987 ( 0.123 2.678 -0.307) 2.698 3.020 ( 0.233 -0.671 -0.470) 0.852 3.342 ( -1.363 2.719 1.571) 3.424 3.387 ( -1.324 -1.634 3.265) 3.883 3.431 ( 1.391 3.409 -1.627) 4.025 3.483 ( 1.293 -1.469 -2.706) 3.340 3.795 ( -0.108 5.122 0.575) 5.156 3.861 ( 0.167 -1.237 0.081) 1.251 3.972 ( -0.969 3.652 2.167) 4.355 4.004 ( 0.815 0.381 0.173) 0.916 4.191 ( -1.308 6.189 0.342) 6.335 4.235 ( 2.135 2.588 -2.595) 4.242 4.352 ( -0.874 1.996 0.044) 2.180 4.463 ( 0.006 -8.979 -0.038) 8.979 5.132 ( -0.694 2.694 0.566) 2.839 5.150 ( 0.489 0.665 -0.272) 0.869 5.494 ( 0.174 4.521 -0.313) 4.536 5.597 ( 0.009 -5.321 -0.474) 5.342 6.048 ( -0.315 8.277 -0.269) 8.288 6.198 ( -0.018 -6.785 -0.057) 6.785 6.490 ( 0.722 5.419 0.651) 5.506 6.575 ( 1.207 -0.058 4.211) 4.380 6.659 ( -0.716 -2.359 -2.606) 3.587 6.691 ( -0.362 -2.706 -0.184) 2.736 6.931 ( 0.238 4.398 0.456) 4.428 6.982 ( 0.338 -0.335 -0.175) 0.508 7.226 ( -0.581 3.511 -0.421) 3.583 7.278 ( -0.561 -1.078 -1.016) 1.584 7.343 ( -0.121 3.031 2.267) 3.787 7.441 ( 1.067 -5.262 2.867) 6.087 7.509 ( -1.690 4.755 -0.496) 5.070 7.545 ( 0.890 4.356 -2.816) 5.263 7.617 ( 0.910 -3.676 -0.592) 3.833 7.632 ( -1.589 -4.726 -2.294) 5.488 8.018 ( 0.013 1.154 0.025) 1.154 8.024 ( 0.073 0.509 -0.036) 0.516 8.354 ( 0.661 3.153 0.614) 3.279 8.391 ( -0.118 -0.120 -1.374) 1.385 8.468 ( -0.245 -1.092 0.669) 1.303 8.478 ( -0.089 -1.812 0.545) 1.894 8.524 ( 0.071 2.778 0.052) 2.779 8.556 ( 0.108 -0.296 0.040) 0.317 8.937 ( 0.497 2.233 0.050) 2.288 8.967 ( -0.178 -0.772 0.684) 1.047 9.378 ( -0.120 1.942 -0.153) 1.951 9.427 ( -0.080 -3.033 -0.023) 3.034 ======================= Grid point 128 (66/70) ======================= q-point: ( 0.17 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -1.232 0.975 -0.170) 1.581 1.166 ( -1.164 -0.421 -0.049) 1.238 1.269 ( 0.292 0.412 -0.012) 0.505 1.276 ( 0.511 -0.564 -0.083) 0.766 1.485 ( -1.387 2.739 -0.521) 3.115 1.503 ( -0.473 0.863 -0.047) 0.985 1.668 ( -0.247 0.722 0.119) 0.772 1.683 ( -1.303 -0.680 -0.040) 1.470 1.741 ( 0.268 -2.994 0.525) 3.051 1.742 ( 0.820 -3.584 0.646) 3.733 1.876 ( -0.966 3.140 -0.690) 3.357 1.905 ( 0.263 0.445 -0.466) 0.696 1.970 ( -3.033 3.086 -0.249) 4.334 2.031 ( -2.794 -2.750 -0.533) 3.956 2.169 ( 1.369 5.535 1.301) 5.848 2.226 ( 1.099 0.158 2.289) 2.544 2.379 ( 0.041 3.000 -1.979) 3.594 2.390 ( -2.479 2.571 -2.762) 4.515 2.526 ( 1.623 -2.452 1.470) 3.288 2.571 ( -1.248 -6.280 0.986) 6.478 2.961 ( -2.747 2.796 -0.294) 3.931 3.000 ( -2.213 -1.090 -0.677) 2.558 3.295 ( -3.060 2.094 0.968) 3.832 3.332 ( -3.763 -1.726 2.525) 4.850 3.446 ( 0.336 3.968 -1.192) 4.157 3.503 ( 1.132 -1.452 -2.410) 3.033 3.742 ( -4.588 4.735 0.477) 6.610 3.820 ( -4.241 -2.781 -0.069) 5.072 3.992 ( 2.087 3.861 1.538) 4.650 4.027 ( 1.046 0.119 1.044) 1.482 4.218 ( 4.047 6.031 -0.748) 7.302 4.283 ( 3.018 0.077 -1.766) 3.497 4.399 ( 5.624 5.154 0.577) 7.650 4.531 ( 5.497 -7.760 -0.094) 9.510 5.082 ( -3.274 3.512 0.522) 4.830 5.126 ( -2.813 -0.861 0.012) 2.942 5.482 ( -1.228 4.365 -0.579) 4.571 5.574 ( -1.894 -4.531 -0.474) 4.934 6.115 ( 5.893 7.763 0.423) 9.756 6.248 ( 3.869 -5.532 -0.016) 6.750 6.528 ( 2.540 4.240 -0.439) 4.962 6.589 ( -0.333 3.197 2.287) 3.944 6.628 ( -1.392 -4.329 -1.726) 4.864 6.664 ( -1.634 -3.188 0.552) 3.625 6.934 ( 0.287 4.709 -0.052) 4.718 6.991 ( 0.776 -0.705 -0.930) 1.401 7.213 ( -1.058 3.496 0.529) 3.691 7.265 ( -0.589 -1.685 0.345) 1.818 7.340 ( -0.427 3.198 2.199) 3.905 7.437 ( -2.008 -4.922 1.089) 5.427 7.477 ( -0.655 4.647 0.293) 4.702 7.560 ( 0.468 2.982 -2.063) 3.657 7.588 ( -1.499 -3.771 -1.841) 4.456 7.640 ( 0.487 -3.297 -0.233) 3.341 8.017 ( -0.398 1.297 -0.084) 1.360 8.024 ( 0.096 0.586 -0.073) 0.599 8.371 ( 0.785 2.021 0.913) 2.353 8.385 ( -0.263 0.554 -2.102) 2.189 8.467 ( 0.237 -0.698 0.540) 0.914 8.480 ( 0.086 -1.751 0.711) 1.892 8.528 ( 0.437 2.848 0.033) 2.881 8.561 ( 0.463 -0.355 0.024) 0.584 8.907 ( -3.079 1.977 -0.655) 3.717 8.935 ( -2.891 -0.820 0.726) 3.092 9.389 ( 1.088 2.582 0.058) 2.802 9.448 ( 1.757 -3.369 0.113) 3.802 ======================= Grid point 129 (67/70) ======================= q-point: ( 0.33 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -1.346 0.775 -0.330) 1.588 1.143 ( -1.173 -0.983 -0.159) 1.539 1.276 ( 0.426 0.613 -0.066) 0.750 1.287 ( 0.472 -0.760 -0.090) 0.899 1.456 ( -1.353 3.324 -0.673) 3.651 1.492 ( -0.633 0.037 0.078) 0.639 1.647 ( -1.711 0.164 0.503) 1.791 1.656 ( -1.291 -0.659 0.500) 1.533 1.746 ( 0.694 -1.291 -0.375) 1.513 1.773 ( 1.700 -3.944 0.686) 4.349 1.852 ( -1.267 3.856 -1.047) 4.192 1.907 ( -0.037 -1.469 -0.064) 1.471 1.929 ( -1.446 2.165 -0.130) 2.607 1.977 ( -2.058 -2.797 -0.837) 3.573 2.194 ( 0.782 5.340 1.037) 5.495 2.249 ( 1.012 -0.312 1.610) 1.927 2.348 ( -1.212 4.203 -1.909) 4.773 2.382 ( 0.452 3.208 -1.568) 3.599 2.521 ( -2.890 -3.427 1.699) 4.794 2.555 ( 0.162 -4.801 0.625) 4.845 2.902 ( -2.792 3.269 0.503) 4.328 2.951 ( -2.407 -1.536 0.301) 2.871 3.247 ( -1.728 2.336 0.174) 2.911 3.283 ( -1.510 -1.489 0.808) 2.269 3.442 ( -0.671 4.277 -1.096) 4.466 3.516 ( 0.296 -2.415 -2.123) 3.229 3.666 ( -2.813 2.982 0.473) 4.126 3.730 ( -4.288 -3.943 -0.101) 5.826 4.028 ( 1.359 3.842 0.860) 4.165 4.051 ( 1.323 1.461 1.367) 2.399 4.298 ( 3.517 4.027 -0.440) 5.365 4.336 ( 2.089 0.397 -1.031) 2.363 4.513 ( 5.411 5.415 0.307) 7.662 4.624 ( 3.782 -5.563 -0.005) 6.727 5.045 ( -0.512 2.614 0.460) 2.703 5.076 ( -1.909 -0.400 0.042) 1.951 5.451 ( -1.795 4.452 -0.574) 4.834 5.539 ( -1.527 -4.189 -0.402) 4.477 6.201 ( 2.165 6.334 0.125) 6.694 6.292 ( 0.673 -2.782 -0.892) 2.998 6.524 ( -1.509 2.929 0.272) 3.306 6.595 ( -1.509 -4.096 1.447) 4.598 6.637 ( 4.189 1.703 -0.102) 4.523 6.672 ( 1.542 -1.821 0.427) 2.424 6.951 ( 1.760 4.032 -1.188) 4.557 7.009 ( 1.017 -1.429 -1.619) 2.387 7.183 ( -2.016 5.139 1.331) 5.679 7.250 ( -1.126 -1.604 0.599) 2.049 7.333 ( -0.637 1.830 1.923) 2.730 7.396 ( -1.889 -2.142 0.422) 2.887 7.484 ( 1.163 2.961 1.440) 3.493 7.559 ( 0.322 -1.122 -1.438) 1.852 7.576 ( -0.141 0.251 -1.681) 1.705 7.632 ( -1.114 -3.443 -0.240) 3.627 8.004 ( -0.809 2.231 -0.186) 2.380 8.026 ( 0.075 -0.000 -0.027) 0.080 8.363 ( -0.933 2.595 -0.552) 2.812 8.398 ( 1.104 -0.359 -0.354) 1.214 8.476 ( 0.424 -1.017 0.048) 1.103 8.480 ( 0.012 -0.854 0.546) 1.014 8.540 ( 0.676 2.710 0.131) 2.796 8.571 ( 0.462 -0.316 0.237) 0.608 8.847 ( -2.642 1.996 -0.930) 3.439 8.879 ( -2.596 -1.220 0.270) 2.882 9.409 ( 0.780 3.250 0.267) 3.353 9.476 ( 1.059 -3.621 0.191) 3.777 ======================= Grid point 130 (68/70) ======================= q-point: (-0.50 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.107 0.682 -0.490) 0.847 1.130 ( -0.046 -1.229 -0.085) 1.233 1.281 ( 0.029 0.642 -0.039) 0.644 1.291 ( -0.000 -0.750 -0.074) 0.753 1.441 ( 0.003 3.576 -0.681) 3.640 1.486 ( 0.127 -0.353 0.003) 0.375 1.629 ( -0.090 0.016 0.516) 0.524 1.639 ( -0.410 -0.989 0.812) 1.344 1.756 ( -0.014 -0.201 -0.338) 0.394 1.790 ( -0.070 -3.574 -0.162) 3.579 1.842 ( 0.712 3.109 -1.187) 3.404 1.906 ( -0.056 1.039 0.366) 1.103 1.910 ( 0.060 -1.581 -0.714) 1.736 1.958 ( -0.609 -2.207 0.447) 2.333 2.199 ( -0.094 5.386 0.694) 5.432 2.255 ( -0.559 0.565 0.397) 0.889 2.347 ( 0.719 2.959 -0.178) 3.050 2.393 ( 0.625 -0.111 -2.819) 2.890 2.478 ( -0.479 1.131 1.773) 2.157 2.559 ( 0.134 -5.040 0.781) 5.102 2.877 ( 0.229 3.129 0.942) 3.276 2.926 ( -0.106 -1.556 1.104) 1.911 3.236 ( 0.518 2.723 -0.685) 2.855 3.271 ( 0.137 -0.942 0.057) 0.954 3.427 ( -0.527 3.750 -0.755) 3.861 3.509 ( -0.623 -3.224 -1.546) 3.629 3.642 ( 0.051 1.942 0.401) 1.983 3.687 ( 0.005 -3.520 -0.069) 3.521 4.043 ( 0.178 4.295 0.537) 4.332 4.069 ( 0.226 1.710 1.100) 2.046 4.333 ( -0.105 2.542 -0.169) 2.550 4.350 ( -0.234 0.719 -0.647) 0.996 4.571 ( 0.192 4.843 0.037) 4.847 4.661 ( 0.028 -4.163 0.159) 4.167 5.049 ( 0.348 1.783 0.445) 1.870 5.057 ( -0.341 0.839 -0.103) 0.912 5.429 ( -0.033 4.652 -0.442) 4.673 5.524 ( 0.139 -4.554 -0.445) 4.578 6.205 ( -0.658 5.681 -0.448) 5.736 6.293 ( -0.254 -3.207 -0.722) 3.297 6.507 ( -0.149 3.925 0.822) 4.013 6.593 ( 0.891 -4.397 1.835) 4.847 6.681 ( -1.098 0.562 0.254) 1.260 6.692 ( 1.137 -0.311 -0.126) 1.186 6.977 ( -0.377 2.004 -1.235) 2.383 7.011 ( -0.428 -0.848 -1.994) 2.209 7.165 ( 0.675 6.207 1.669) 6.463 7.235 ( -0.166 -1.077 0.183) 1.105 7.323 ( -0.387 0.969 1.963) 2.223 7.371 ( -0.808 -1.893 1.103) 2.335 7.509 ( 0.808 4.609 1.120) 4.811 7.569 ( -0.540 0.224 -1.845) 1.935 7.581 ( 2.146 -1.234 -1.790) 3.055 7.613 ( -0.358 -4.536 -0.237) 4.556 7.994 ( -0.078 2.799 -0.146) 2.804 8.027 ( 0.007 -0.504 0.008) 0.504 8.348 ( -0.538 3.780 -0.378) 3.837 8.412 ( 0.362 -1.796 -0.160) 1.839 8.472 ( -0.422 -0.211 0.586) 0.753 8.489 ( 0.480 -1.304 -0.412) 1.450 8.547 ( -0.162 2.567 0.349) 2.596 8.575 ( -0.126 -0.205 0.411) 0.476 8.817 ( -0.264 2.161 -0.788) 2.316 8.853 ( -0.016 -1.458 -0.004) 1.458 9.417 ( 0.111 3.409 0.263) 3.421 9.487 ( 0.037 -3.627 0.179) 3.631 ======================= Grid point 131 (69/70) ======================= q-point: (-0.33 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.510 0.630 -0.525) 1.718 1.141 ( 1.155 -0.805 -0.029) 1.408 1.278 ( -0.283 0.586 -0.171) 0.672 1.286 ( -0.472 -0.633 -0.069) 0.793 1.456 ( 1.438 3.585 -0.634) 3.914 1.496 ( 0.792 0.058 -0.161) 0.810 1.640 ( 0.871 -0.364 1.153) 1.490 1.648 ( 1.197 -0.962 0.655) 1.669 1.740 ( -1.358 0.206 0.284) 1.402 1.777 ( -1.060 -3.835 -0.241) 3.986 1.868 ( 1.692 2.363 -1.553) 3.296 1.911 ( 0.259 -0.504 0.019) 0.567 1.921 ( 0.419 1.379 0.127) 1.446 1.966 ( 2.681 -2.672 -0.223) 3.791 2.196 ( -0.458 5.512 0.946) 5.612 2.242 ( -0.725 1.498 1.506) 2.244 2.351 ( -0.223 3.570 -1.055) 3.729 2.398 ( 0.713 -1.362 -3.242) 3.588 2.516 ( 2.860 -0.190 2.142) 3.578 2.560 ( 0.005 -4.701 0.430) 4.721 2.907 ( 2.628 2.722 0.179) 3.788 2.949 ( 2.250 -1.335 0.421) 2.650 3.264 ( 2.506 2.786 -0.839) 3.840 3.292 ( 2.240 -0.232 0.616) 2.335 3.422 ( -0.086 3.463 -0.075) 3.465 3.492 ( -1.042 -2.562 -0.916) 2.914 3.668 ( 2.808 2.517 0.277) 3.781 3.729 ( 4.161 -3.891 -0.047) 5.698 4.036 ( -0.951 4.026 0.425) 4.159 4.060 ( -1.327 1.671 0.954) 2.337 4.293 ( -3.576 3.637 -0.212) 5.105 4.325 ( -2.750 0.580 -0.475) 2.850 4.521 ( -4.944 5.123 -0.137) 7.121 4.624 ( -3.770 -5.265 -0.048) 6.476 5.051 ( 0.637 2.183 0.169) 2.280 5.072 ( 1.940 0.129 0.211) 1.956 5.449 ( 1.774 4.506 -0.466) 4.865 5.542 ( 1.614 -4.508 -0.571) 4.822 6.191 ( -1.463 5.730 0.662) 5.951 6.279 ( -1.256 -3.209 -0.111) 3.448 6.516 ( 0.465 4.480 0.643) 4.550 6.617 ( -0.103 -5.528 0.424) 5.546 6.632 ( -2.466 2.678 0.085) 3.642 6.681 ( -1.478 -2.287 -0.124) 2.726 6.937 ( -2.001 4.072 -0.348) 4.551 6.997 ( -1.057 -1.852 -1.013) 2.361 7.204 ( 2.485 5.008 0.439) 5.608 7.245 ( 1.064 0.318 0.381) 1.174 7.330 ( 0.730 0.182 2.113) 2.243 7.371 ( 0.733 -2.429 1.879) 3.157 7.518 ( 0.330 4.451 -0.237) 4.470 7.553 ( -0.593 2.849 -2.328) 3.727 7.605 ( 0.180 -3.019 -2.411) 3.868 7.634 ( 2.023 -4.807 0.001) 5.215 8.002 ( 0.796 2.315 -0.084) 2.449 8.026 ( -0.114 -0.150 -0.021) 0.189 8.343 ( -0.050 4.031 0.406) 4.052 8.410 ( -0.538 -1.298 -0.887) 1.661 8.467 ( -0.183 -0.574 0.565) 0.826 8.493 ( -0.075 -1.929 -0.139) 1.936 8.536 ( -0.721 2.743 0.316) 2.854 8.567 ( -0.657 -0.242 0.457) 0.836 8.837 ( 2.355 2.572 -0.334) 3.503 8.879 ( 2.592 -1.675 0.215) 3.093 9.413 ( -0.668 3.140 0.053) 3.211 9.478 ( -1.012 -3.480 0.106) 3.626 ======================= Grid point 132 (70/70) ======================= q-point: (-0.17 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.83e-04 5.83e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 1.143 0.896 -0.326) 1.489 1.166 ( 1.298 -0.320 -0.037) 1.338 1.272 ( -0.326 0.382 -0.173) 0.532 1.276 ( -0.490 -0.415 -0.085) 0.648 1.485 ( 1.425 3.033 -0.501) 3.388 1.508 ( 0.408 0.723 -0.313) 0.887 1.656 ( 0.556 0.144 0.686) 0.895 1.674 ( 1.402 -1.177 0.600) 1.926 1.719 ( -0.696 -0.488 1.488) 1.714 1.759 ( -0.686 -4.340 -0.432) 4.416 1.886 ( 0.459 2.252 -0.894) 2.466 1.906 ( -0.259 0.543 -0.669) 0.900 1.961 ( 3.430 3.364 0.295) 4.813 2.032 ( 3.255 -3.402 -0.527) 4.738 2.178 ( -1.444 5.530 0.861) 5.780 2.230 ( -0.969 1.189 2.010) 2.529 2.350 ( 0.645 3.622 -1.258) 3.889 2.416 ( 1.459 -2.413 -3.325) 4.360 2.527 ( -1.638 0.036 1.248) 2.060 2.578 ( 1.094 -5.432 0.792) 5.598 2.960 ( 2.521 2.617 -0.313) 3.647 2.996 ( 2.225 -0.870 -0.408) 2.424 3.320 ( 3.066 3.054 -0.188) 4.332 3.355 ( 3.634 -0.110 1.989) 4.145 3.420 ( -0.087 2.676 -0.031) 2.678 3.474 ( -0.442 -1.971 -1.443) 2.483 3.743 ( 4.486 4.151 0.387) 6.124 3.816 ( 4.197 -2.813 0.125) 5.054 4.010 ( -1.905 3.038 0.619) 3.639 4.023 ( -2.536 1.749 1.277) 3.335 4.225 ( -2.546 4.527 -0.977) 5.285 4.255 ( -3.767 1.696 -0.352) 4.146 4.414 ( -5.472 4.240 -0.354) 6.932 4.532 ( -5.515 -7.438 -0.140) 9.261 5.090 ( 3.270 2.983 0.105) 4.428 5.123 ( 2.726 -0.207 0.182) 2.740 5.479 ( 1.270 4.281 -0.414) 4.484 5.575 ( 1.823 -4.972 -0.552) 5.324 6.121 ( -5.630 7.547 0.078) 9.416 6.241 ( -2.971 -4.411 0.372) 5.332 6.505 ( -1.802 3.396 0.796) 3.926 6.559 ( -1.129 0.506 2.205) 2.529 6.653 ( 1.305 -2.394 -1.243) 2.997 6.678 ( 1.123 -2.718 -0.344) 2.961 6.923 ( 0.251 4.400 0.385) 4.424 6.981 ( -0.369 -1.241 -0.271) 1.323 7.232 ( 0.366 4.435 -0.915) 4.543 7.272 ( 1.310 0.820 0.642) 1.674 7.342 ( 0.177 0.466 1.412) 1.497 7.404 ( 2.180 -3.840 2.971) 5.322 7.519 ( 0.009 3.737 -1.838) 4.165 7.545 ( -0.143 4.135 -1.634) 4.448 7.604 ( 0.235 -2.458 -2.073) 3.224 7.654 ( -0.024 -5.532 -1.035) 5.628 8.016 ( 0.539 1.271 -0.049) 1.381 8.023 ( -0.163 0.583 0.010) 0.606 8.345 ( 0.235 3.674 0.950) 3.802 8.397 ( -0.465 -0.213 -1.349) 1.442 8.467 ( 0.134 -1.402 0.359) 1.453 8.486 ( -0.614 -1.928 0.472) 2.077 8.526 ( -0.362 2.783 0.160) 2.811 8.558 ( -0.330 -0.236 0.236) 0.469 8.895 ( 3.286 2.705 0.126) 4.258 8.937 ( 2.944 -1.528 0.512) 3.356 9.393 ( -1.209 2.505 -0.159) 2.786 9.450 ( -1.793 -3.221 0.007) 3.687 =================== 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 3/15444 10.0 25.636 33.290 12.117 0.000 0.657 0.000 3/15444 20.0 5.918 12.003 3.328 0.000 0.142 0.000 3/15444 30.0 3.184 7.697 1.881 0.000 0.071 0.000 3/15444 40.0 2.184 5.683 1.314 0.000 0.049 0.000 3/15444 50.0 1.671 4.494 1.009 0.000 0.038 0.000 3/15444 60.0 1.357 3.709 0.819 0.000 0.032 0.000 3/15444 70.0 1.146 3.156 0.689 0.000 0.027 0.000 3/15444 80.0 0.993 2.747 0.596 0.000 0.024 0.000 3/15444 90.0 0.877 2.432 0.525 0.000 0.022 0.000 3/15444 100.0 0.786 2.183 0.470 0.000 0.019 0.000 3/15444 110.0 0.713 1.982 0.426 0.000 0.018 0.000 3/15444 120.0 0.652 1.814 0.390 0.000 0.016 0.000 3/15444 130.0 0.601 1.674 0.359 0.000 0.015 0.000 3/15444 140.0 0.558 1.554 0.333 0.000 0.014 0.000 3/15444 150.0 0.520 1.450 0.311 0.000 0.013 0.000 3/15444 160.0 0.488 1.360 0.291 0.000 0.012 0.000 3/15444 170.0 0.459 1.280 0.274 0.000 0.012 0.000 3/15444 180.0 0.433 1.209 0.259 0.000 0.011 0.000 3/15444 190.0 0.411 1.146 0.245 0.000 0.010 0.000 3/15444 200.0 0.390 1.089 0.233 0.000 0.010 0.000 3/15444 210.0 0.372 1.037 0.222 0.000 0.009 0.000 3/15444 220.0 0.355 0.990 0.212 0.000 0.009 0.000 3/15444 230.0 0.339 0.947 0.203 0.000 0.009 0.000 3/15444 240.0 0.325 0.908 0.194 0.000 0.008 0.000 3/15444 250.0 0.312 0.872 0.187 0.000 0.008 0.000 3/15444 260.0 0.300 0.839 0.179 0.000 0.008 0.000 3/15444 270.0 0.289 0.808 0.173 0.000 0.007 0.000 3/15444 280.0 0.279 0.779 0.167 0.000 0.007 0.000 3/15444 290.0 0.269 0.752 0.161 0.000 0.007 0.000 3/15444 300.0 0.260 0.727 0.156 0.000 0.007 0.000 3/15444 310.0 0.252 0.704 0.151 0.000 0.006 0.000 3/15444 320.0 0.244 0.682 0.146 0.000 0.006 0.000 3/15444 330.0 0.237 0.662 0.142 0.000 0.006 0.000 3/15444 340.0 0.230 0.642 0.137 0.000 0.006 0.000 3/15444 350.0 0.223 0.624 0.134 0.000 0.006 0.000 3/15444 360.0 0.217 0.607 0.130 0.000 0.005 0.000 3/15444 370.0 0.211 0.590 0.126 0.000 0.005 0.000 3/15444 380.0 0.206 0.575 0.123 0.000 0.005 0.000 3/15444 390.0 0.200 0.560 0.120 0.000 0.005 0.000 3/15444 400.0 0.195 0.546 0.117 0.000 0.005 0.000 3/15444 410.0 0.191 0.533 0.114 0.000 0.005 0.000 3/15444 420.0 0.186 0.521 0.111 0.000 0.005 0.000 3/15444 430.0 0.182 0.508 0.109 0.000 0.005 0.000 3/15444 440.0 0.178 0.497 0.106 0.000 0.004 0.000 3/15444 450.0 0.174 0.486 0.104 0.000 0.004 0.000 3/15444 460.0 0.170 0.475 0.102 0.000 0.004 0.000 3/15444 470.0 0.166 0.465 0.100 0.000 0.004 0.000 3/15444 480.0 0.163 0.456 0.097 0.000 0.004 0.000 3/15444 490.0 0.160 0.446 0.096 0.000 0.004 0.000 3/15444 500.0 0.156 0.438 0.094 0.000 0.004 0.000 3/15444 510.0 0.153 0.429 0.092 0.000 0.004 0.000 3/15444 520.0 0.150 0.421 0.090 0.000 0.004 0.000 3/15444 530.0 0.148 0.413 0.088 0.000 0.004 0.000 3/15444 540.0 0.145 0.405 0.087 0.000 0.004 0.000 3/15444 550.0 0.142 0.398 0.085 0.000 0.004 0.000 3/15444 560.0 0.140 0.391 0.084 0.000 0.004 0.000 3/15444 570.0 0.137 0.384 0.082 0.000 0.003 0.000 3/15444 580.0 0.135 0.377 0.081 0.000 0.003 0.000 3/15444 590.0 0.133 0.371 0.079 0.000 0.003 0.000 3/15444 600.0 0.130 0.365 0.078 0.000 0.003 0.000 3/15444 610.0 0.128 0.359 0.077 0.000 0.003 0.000 3/15444 620.0 0.126 0.353 0.076 0.000 0.003 0.000 3/15444 630.0 0.124 0.348 0.074 0.000 0.003 0.000 3/15444 640.0 0.122 0.342 0.073 0.000 0.003 0.000 3/15444 650.0 0.120 0.337 0.072 0.000 0.003 0.000 3/15444 660.0 0.119 0.332 0.071 0.000 0.003 0.000 3/15444 670.0 0.117 0.327 0.070 0.000 0.003 0.000 3/15444 680.0 0.115 0.322 0.069 0.000 0.003 0.000 3/15444 690.0 0.113 0.317 0.068 0.000 0.003 0.000 3/15444 700.0 0.112 0.313 0.067 0.000 0.003 0.000 3/15444 710.0 0.110 0.308 0.066 0.000 0.003 0.000 3/15444 720.0 0.109 0.304 0.065 0.000 0.003 0.000 3/15444 730.0 0.107 0.300 0.064 0.000 0.003 0.000 3/15444 740.0 0.106 0.296 0.063 0.000 0.003 0.000 3/15444 750.0 0.104 0.292 0.062 0.000 0.003 0.000 3/15444 760.0 0.103 0.288 0.062 0.000 0.003 0.000 3/15444 770.0 0.102 0.284 0.061 0.000 0.003 0.000 3/15444 780.0 0.100 0.281 0.060 0.000 0.003 0.000 3/15444 790.0 0.099 0.277 0.059 0.000 0.003 0.000 3/15444 800.0 0.098 0.274 0.059 0.000 0.002 0.000 3/15444 810.0 0.097 0.270 0.058 0.000 0.002 0.000 3/15444 820.0 0.096 0.267 0.057 0.000 0.002 0.000 3/15444 830.0 0.094 0.264 0.056 0.000 0.002 0.000 3/15444 840.0 0.093 0.261 0.056 0.000 0.002 0.000 3/15444 850.0 0.092 0.258 0.055 0.000 0.002 0.000 3/15444 860.0 0.091 0.255 0.055 0.000 0.002 0.000 3/15444 870.0 0.090 0.252 0.054 0.000 0.002 0.000 3/15444 880.0 0.089 0.249 0.053 0.000 0.002 0.000 3/15444 890.0 0.088 0.246 0.053 0.000 0.002 0.000 3/15444 900.0 0.087 0.243 0.052 0.000 0.002 0.000 3/15444 910.0 0.086 0.241 0.052 0.000 0.002 0.000 3/15444 920.0 0.085 0.238 0.051 0.000 0.002 0.000 3/15444 930.0 0.084 0.236 0.050 0.000 0.002 0.000 3/15444 940.0 0.083 0.233 0.050 0.000 0.002 0.000 3/15444 950.0 0.082 0.231 0.049 0.000 0.002 0.000 3/15444 960.0 0.082 0.228 0.049 0.000 0.002 0.000 3/15444 970.0 0.081 0.226 0.048 0.000 0.002 0.000 3/15444 980.0 0.080 0.224 0.048 0.000 0.002 0.000 3/15444 990.0 0.079 0.221 0.047 0.000 0.002 0.000 3/15444 1000.0 0.078 0.219 0.047 0.000 0.002 0.000 3/15444 Thermal conductivity related properties were written into "kappa-m6133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:07:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|