----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:14:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.022257143515610 0.000000000000000 0.000000000000000 b 0.000000000000000 7.504134100000002 0.000000000000000 c -1.019577065158253 0.000000000000000 12.088284590013401 Atomic positions (fractional): *1 Cs 0.15053102187048 0.65464611818694 0.07573334187606 132.905 *2 Cs 0.55978053642632 0.37341928701166 0.15969036879616 132.905 *3 Cs 0.11633094046419 0.17747057998385 0.19035498015977 132.905 4 Cs 0.88366905953581 0.67747057998385 0.30964501984023 132.905 5 Cs 0.44021946357368 0.87341928701166 0.34030963120384 132.905 6 Cs 0.84946897812952 0.15464611818694 0.42426665812394 132.905 7 Cs 0.15053102187048 0.84535388181306 0.57573334187605 132.905 8 Cs 0.55978053642632 0.12658071298834 0.65969036879616 132.905 9 Cs 0.11633094046419 0.32252942001615 0.69035498015977 132.905 10 Cs 0.88366905953581 0.82252942001615 0.80964501984023 132.905 11 Cs 0.44021946357368 0.62658071298834 0.84030963120384 132.905 12 Cs 0.84946897812952 0.34535388181306 0.92426665812395 132.905 *13 Y 0.65465150715217 0.90737851957231 0.07198519805334 88.906 14 Y 0.34534849284783 0.40737851957231 0.42801480194666 88.906 15 Y 0.65465150715217 0.59262148042769 0.57198519805334 88.906 16 Y 0.34534849284783 0.09262148042769 0.92801480194666 88.906 *17 O 0.74596644811692 0.64572819309704 0.05600715901691 15.999 *18 O 0.38620868608715 0.94925440619523 0.08456628630865 15.999 *19 O 0.78999348115840 0.04356756656195 0.20112191491452 15.999 20 O 0.21000651884160 0.54356756656195 0.29887808508547 15.999 21 O 0.61379131391285 0.44925440619523 0.41543371369135 15.999 22 O 0.25403355188308 0.14572819309704 0.44399284098309 15.999 23 O 0.74596644811692 0.85427180690296 0.55600715901691 15.999 24 O 0.38620868608715 0.55074559380477 0.58456628630865 15.999 25 O 0.78999348115840 0.45643243343805 0.70112191491453 15.999 26 O 0.21000651884160 0.95643243343805 0.79887808508547 15.999 27 O 0.61379131391285 0.05074559380477 0.91543371369135 15.999 28 O 0.25403355188308 0.35427180690296 0.94399284098309 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.022257143515610 0.000000000000000 0.000000000000000 b 0.000000000000000 7.504134100000002 0.000000000000000 c -1.019577065158253 0.000000000000000 12.088284590013401 Atomic positions (fractional): *1 Cs 0.15053102187048 0.65464611818694 0.07573334187606 132.905 > 1 *2 Cs 0.55978053642632 0.37341928701166 0.15969036879616 132.905 > 2 *3 Cs 0.11633094046419 0.17747057998385 0.19035498015977 132.905 > 3 4 Cs 0.88366905953581 0.67747057998385 0.30964501984023 132.905 > 4 5 Cs 0.44021946357368 0.87341928701166 0.34030963120384 132.905 > 5 6 Cs 0.84946897812952 0.15464611818694 0.42426665812394 132.905 > 6 7 Cs 0.15053102187048 0.84535388181306 0.57573334187605 132.905 > 7 8 Cs 0.55978053642632 0.12658071298834 0.65969036879616 132.905 > 8 9 Cs 0.11633094046419 0.32252942001615 0.69035498015977 132.905 > 9 10 Cs 0.88366905953581 0.82252942001615 0.80964501984023 132.905 > 10 11 Cs 0.44021946357368 0.62658071298834 0.84030963120384 132.905 > 11 12 Cs 0.84946897812952 0.34535388181306 0.92426665812395 132.905 > 12 *13 Y 0.65465150715217 0.90737851957231 0.07198519805334 88.906 > 13 14 Y 0.34534849284783 0.40737851957231 0.42801480194666 88.906 > 14 15 Y 0.65465150715217 0.59262148042769 0.57198519805334 88.906 > 15 16 Y 0.34534849284783 0.09262148042769 0.92801480194666 88.906 > 16 *17 O 0.74596644811692 0.64572819309704 0.05600715901691 15.999 > 17 *18 O 0.38620868608715 0.94925440619523 0.08456628630865 15.999 > 18 *19 O 0.78999348115840 0.04356756656195 0.20112191491452 15.999 > 19 20 O 0.21000651884160 0.54356756656195 0.29887808508547 15.999 > 20 21 O 0.61379131391285 0.44925440619523 0.41543371369135 15.999 > 21 22 O 0.25403355188308 0.14572819309704 0.44399284098309 15.999 > 22 23 O 0.74596644811692 0.85427180690296 0.55600715901691 15.999 > 23 24 O 0.38620868608715 0.55074559380477 0.58456628630865 15.999 > 24 25 O 0.78999348115840 0.45643243343805 0.70112191491453 15.999 > 25 26 O 0.21000651884160 0.95643243343805 0.79887808508547 15.999 > 26 27 O 0.61379131391285 0.05074559380477 0.91543371369135 15.999 > 27 28 O 0.25403355188308 0.35427180690296 0.94399284098309 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.044514287031220 0.000000000000000 0.000000000000000 b 0.000000000000000 15.008268200000003 0.000000000000000 c -1.019577065158253 0.000000000000000 12.088284590013401 Atomic positions (fractional): *1 Cs 0.07526551093524 0.32732305909347 0.07573334187606 132.905 > 1 2 Cs 0.57526551093524 0.32732305909347 0.07573334187606 132.905 > 1 3 Cs 0.07526551093524 0.82732305909347 0.07573334187606 132.905 > 1 4 Cs 0.57526551093524 0.82732305909347 0.07573334187606 132.905 > 1 *5 Cs 0.27989026821316 0.18670964350583 0.15969036879616 132.905 > 2 6 Cs 0.77989026821316 0.18670964350583 0.15969036879616 132.905 > 2 7 Cs 0.27989026821316 0.68670964350583 0.15969036879616 132.905 > 2 8 Cs 0.77989026821316 0.68670964350583 0.15969036879616 132.905 > 2 *9 Cs 0.05816547023209 0.08873528999192 0.19035498015977 132.905 > 3 10 Cs 0.55816547023209 0.08873528999192 0.19035498015977 132.905 > 3 11 Cs 0.05816547023209 0.58873528999192 0.19035498015977 132.905 > 3 12 Cs 0.55816547023209 0.58873528999192 0.19035498015977 132.905 > 3 13 Cs 0.44183452976791 0.33873528999192 0.30964501984023 132.905 > 4 14 Cs 0.94183452976791 0.33873528999192 0.30964501984023 132.905 > 4 15 Cs 0.44183452976791 0.83873528999192 0.30964501984023 132.905 > 4 16 Cs 0.94183452976791 0.83873528999192 0.30964501984023 132.905 > 4 17 Cs 0.22010973178684 0.43670964350583 0.34030963120384 132.905 > 5 18 Cs 0.72010973178684 0.43670964350583 0.34030963120384 132.905 > 5 19 Cs 0.22010973178684 0.93670964350583 0.34030963120384 132.905 > 5 20 Cs 0.72010973178684 0.93670964350583 0.34030963120384 132.905 > 5 21 Cs 0.42473448906476 0.07732305909347 0.42426665812394 132.905 > 6 22 Cs 0.92473448906476 0.07732305909347 0.42426665812394 132.905 > 6 23 Cs 0.42473448906476 0.57732305909347 0.42426665812394 132.905 > 6 24 Cs 0.92473448906476 0.57732305909347 0.42426665812394 132.905 > 6 25 Cs 0.07526551093524 0.42267694090653 0.57573334187605 132.905 > 7 26 Cs 0.57526551093524 0.42267694090653 0.57573334187605 132.905 > 7 27 Cs 0.07526551093524 0.92267694090653 0.57573334187605 132.905 > 7 28 Cs 0.57526551093524 0.92267694090653 0.57573334187605 132.905 > 7 29 Cs 0.27989026821316 0.06329035649417 0.65969036879616 132.905 > 8 30 Cs 0.77989026821316 0.06329035649417 0.65969036879616 132.905 > 8 31 Cs 0.27989026821316 0.56329035649417 0.65969036879616 132.905 > 8 32 Cs 0.77989026821316 0.56329035649417 0.65969036879616 132.905 > 8 33 Cs 0.05816547023209 0.16126471000808 0.69035498015977 132.905 > 9 34 Cs 0.55816547023209 0.16126471000808 0.69035498015977 132.905 > 9 35 Cs 0.05816547023209 0.66126471000808 0.69035498015977 132.905 > 9 36 Cs 0.55816547023209 0.66126471000808 0.69035498015977 132.905 > 9 37 Cs 0.44183452976791 0.41126471000808 0.80964501984023 132.905 > 10 38 Cs 0.94183452976791 0.41126471000808 0.80964501984023 132.905 > 10 39 Cs 0.44183452976791 0.91126471000808 0.80964501984023 132.905 > 10 40 Cs 0.94183452976791 0.91126471000808 0.80964501984023 132.905 > 10 41 Cs 0.22010973178684 0.31329035649417 0.84030963120384 132.905 > 11 42 Cs 0.72010973178684 0.31329035649417 0.84030963120384 132.905 > 11 43 Cs 0.22010973178684 0.81329035649417 0.84030963120384 132.905 > 11 44 Cs 0.72010973178684 0.81329035649417 0.84030963120384 132.905 > 11 45 Cs 0.42473448906476 0.17267694090653 0.92426665812395 132.905 > 12 46 Cs 0.92473448906476 0.17267694090653 0.92426665812395 132.905 > 12 47 Cs 0.42473448906476 0.67267694090653 0.92426665812395 132.905 > 12 48 Cs 0.92473448906476 0.67267694090653 0.92426665812395 132.905 > 12 *49 Y 0.32732575357609 0.45368925978616 0.07198519805334 88.906 > 13 50 Y 0.82732575357609 0.45368925978616 0.07198519805334 88.906 > 13 51 Y 0.32732575357609 0.95368925978616 0.07198519805334 88.906 > 13 52 Y 0.82732575357609 0.95368925978616 0.07198519805334 88.906 > 13 53 Y 0.17267424642391 0.20368925978616 0.42801480194666 88.906 > 14 54 Y 0.67267424642391 0.20368925978616 0.42801480194666 88.906 > 14 55 Y 0.17267424642391 0.70368925978616 0.42801480194666 88.906 > 14 56 Y 0.67267424642391 0.70368925978616 0.42801480194666 88.906 > 14 57 Y 0.32732575357609 0.29631074021384 0.57198519805334 88.906 > 15 58 Y 0.82732575357609 0.29631074021384 0.57198519805334 88.906 > 15 59 Y 0.32732575357609 0.79631074021384 0.57198519805334 88.906 > 15 60 Y 0.82732575357609 0.79631074021384 0.57198519805334 88.906 > 15 61 Y 0.17267424642391 0.04631074021384 0.92801480194666 88.906 > 16 62 Y 0.67267424642391 0.04631074021384 0.92801480194666 88.906 > 16 63 Y 0.17267424642391 0.54631074021384 0.92801480194666 88.906 > 16 64 Y 0.67267424642391 0.54631074021384 0.92801480194666 88.906 > 16 *65 O 0.37298322405846 0.32286409654852 0.05600715901691 15.999 > 17 66 O 0.87298322405846 0.32286409654852 0.05600715901691 15.999 > 17 67 O 0.37298322405846 0.82286409654852 0.05600715901691 15.999 > 17 68 O 0.87298322405846 0.82286409654852 0.05600715901691 15.999 > 17 *69 O 0.19310434304357 0.47462720309762 0.08456628630865 15.999 > 18 70 O 0.69310434304357 0.47462720309762 0.08456628630865 15.999 > 18 71 O 0.19310434304357 0.97462720309762 0.08456628630865 15.999 > 18 72 O 0.69310434304357 0.97462720309762 0.08456628630865 15.999 > 18 *73 O 0.39499674057920 0.02178378328097 0.20112191491452 15.999 > 19 74 O 0.89499674057920 0.02178378328097 0.20112191491452 15.999 > 19 75 O 0.39499674057920 0.52178378328097 0.20112191491452 15.999 > 19 76 O 0.89499674057920 0.52178378328097 0.20112191491452 15.999 > 19 77 O 0.10500325942080 0.27178378328097 0.29887808508547 15.999 > 20 78 O 0.60500325942080 0.27178378328097 0.29887808508547 15.999 > 20 79 O 0.10500325942080 0.77178378328097 0.29887808508547 15.999 > 20 80 O 0.60500325942080 0.77178378328097 0.29887808508547 15.999 > 20 81 O 0.30689565695643 0.22462720309762 0.41543371369135 15.999 > 21 82 O 0.80689565695643 0.22462720309762 0.41543371369135 15.999 > 21 83 O 0.30689565695643 0.72462720309762 0.41543371369135 15.999 > 21 84 O 0.80689565695643 0.72462720309762 0.41543371369135 15.999 > 21 85 O 0.12701677594154 0.07286409654852 0.44399284098309 15.999 > 22 86 O 0.62701677594154 0.07286409654852 0.44399284098309 15.999 > 22 87 O 0.12701677594154 0.57286409654852 0.44399284098309 15.999 > 22 88 O 0.62701677594154 0.57286409654852 0.44399284098309 15.999 > 22 89 O 0.37298322405846 0.42713590345148 0.55600715901691 15.999 > 23 90 O 0.87298322405846 0.42713590345148 0.55600715901691 15.999 > 23 91 O 0.37298322405846 0.92713590345148 0.55600715901691 15.999 > 23 92 O 0.87298322405846 0.92713590345148 0.55600715901691 15.999 > 23 93 O 0.19310434304357 0.27537279690238 0.58456628630865 15.999 > 24 94 O 0.69310434304357 0.27537279690238 0.58456628630865 15.999 > 24 95 O 0.19310434304357 0.77537279690238 0.58456628630865 15.999 > 24 96 O 0.69310434304357 0.77537279690238 0.58456628630865 15.999 > 24 97 O 0.39499674057920 0.22821621671903 0.70112191491453 15.999 > 25 98 O 0.89499674057920 0.22821621671903 0.70112191491453 15.999 > 25 99 O 0.39499674057920 0.72821621671903 0.70112191491453 15.999 > 25 100 O 0.89499674057920 0.72821621671903 0.70112191491453 15.999 > 25 101 O 0.10500325942080 0.47821621671903 0.79887808508547 15.999 > 26 102 O 0.60500325942080 0.47821621671903 0.79887808508547 15.999 > 26 103 O 0.10500325942080 0.97821621671903 0.79887808508547 15.999 > 26 104 O 0.60500325942080 0.97821621671903 0.79887808508547 15.999 > 26 105 O 0.30689565695643 0.02537279690238 0.91543371369135 15.999 > 27 106 O 0.80689565695643 0.02537279690238 0.91543371369135 15.999 > 27 107 O 0.30689565695643 0.52537279690238 0.91543371369135 15.999 > 27 108 O 0.80689565695643 0.52537279690238 0.91543371369135 15.999 > 27 109 O 0.12701677594154 0.17713590345148 0.94399284098309 15.999 > 28 110 O 0.62701677594154 0.17713590345148 0.94399284098309 15.999 > 28 111 O 0.12701677594154 0.67713590345148 0.94399284098309 15.999 > 28 112 O 0.62701677594154 0.67713590345148 0.94399284098309 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5103343 0.0000000 0.0597287 0.0000000 3.5610891 0.0000000 0.0597254 0.0000000 3.6354990 -------------------------- Born effective charges -------------------------- 1 Cs 1.2484552 0.0953167 -0.0352586 0.0709623 1.2704684 0.0564868 -0.0530812 0.0457947 1.4465855 2 Cs 1.1382246 0.0381268 -0.0219614 0.0769923 1.4246103 -0.0927699 -0.0378424 -0.0680011 1.3027407 3 Cs 1.4838717 0.1545801 -0.0885672 0.1705401 1.1779640 0.0535364 -0.0359948 0.0917013 1.2197687 4 Cs 1.4838717 -0.1545801 -0.0885672 -0.1705401 1.1779640 -0.0535364 -0.0359948 -0.0917013 1.2197687 5 Cs 1.1382246 -0.0381268 -0.0219614 -0.0769923 1.4246103 0.0927699 -0.0378424 0.0680011 1.3027407 6 Cs 1.2484552 -0.0953167 -0.0352586 -0.0709623 1.2704684 -0.0564868 -0.0530812 -0.0457947 1.4465855 7 Cs 1.2484552 -0.0953167 -0.0352586 -0.0709623 1.2704684 -0.0564868 -0.0530812 -0.0457947 1.4465855 8 Cs 1.1382246 -0.0381268 -0.0219614 -0.0769923 1.4246103 0.0927699 -0.0378424 0.0680011 1.3027407 9 Cs 1.4838717 -0.1545801 -0.0885672 -0.1705401 1.1779640 -0.0535364 -0.0359948 -0.0917013 1.2197687 10 Cs 1.4838717 0.1545801 -0.0885672 0.1705401 1.1779640 0.0535364 -0.0359948 0.0917013 1.2197687 11 Cs 1.1382246 0.0381268 -0.0219614 0.0769923 1.4246103 -0.0927699 -0.0378424 -0.0680011 1.3027407 12 Cs 1.2484552 0.0953167 -0.0352586 0.0709623 1.2704684 0.0564868 -0.0530812 0.0457947 1.4465855 13 Y 2.6574128 -0.4744143 0.5971252 -0.5148711 2.8826064 0.0407712 0.5589869 0.0086368 2.8705478 14 Y 2.6574128 0.4744143 0.5971252 0.5148711 2.8826064 -0.0407712 0.5589869 -0.0086368 2.8705478 15 Y 2.6574128 0.4744143 0.5971252 0.5148711 2.8826064 -0.0407712 0.5589869 -0.0086368 2.8705478 16 Y 2.6574128 -0.4744143 0.5971252 -0.5148711 2.8826064 0.0407712 0.5589869 0.0086368 2.8705478 17 O -1.9412326 0.3822325 0.1832533 0.3509056 -2.9224882 -0.1030391 0.1488905 -0.1001175 -1.9629582 18 O -2.4026498 0.1815067 -0.1213698 0.1644273 -1.7737891 0.4449937 -0.0774058 0.4647634 -2.2243609 19 O -2.1840820 -0.3706731 -0.5132215 -0.3670060 -2.0593718 -0.3476067 -0.5035531 -0.4160450 -2.6523234 20 O -2.1840820 0.3706731 -0.5132215 0.3670060 -2.0593718 0.3476067 -0.5035531 0.4160450 -2.6523234 21 O -2.4026498 -0.1815067 -0.1213698 -0.1644273 -1.7737891 -0.4449937 -0.0774058 -0.4647634 -2.2243609 22 O -1.9412326 -0.3822325 0.1832533 -0.3509056 -2.9224882 0.1030391 0.1488905 0.1001175 -1.9629582 23 O -1.9412326 -0.3822325 0.1832533 -0.3509056 -2.9224882 0.1030391 0.1488905 0.1001175 -1.9629582 24 O -2.4026498 -0.1815067 -0.1213698 -0.1644273 -1.7737891 -0.4449937 -0.0774058 -0.4647634 -2.2243609 25 O -2.1840820 0.3706731 -0.5132215 0.3670060 -2.0593718 0.3476067 -0.5035531 0.4160450 -2.6523234 26 O -2.1840820 -0.3706731 -0.5132215 -0.3670060 -2.0593718 -0.3476067 -0.5035531 -0.4160450 -2.6523234 27 O -2.4026498 0.1815067 -0.1213698 0.1644273 -1.7737891 0.4449937 -0.0774058 0.4647634 -2.2243609 28 O -1.9412326 0.3822325 0.1832533 0.3509056 -2.9224882 -0.1030391 0.1488905 -0.1001175 -1.9629582 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.014 Solver_block: 200 / 880 - Time: 0.953 Solver_block: 300 / 880 - Time: 0.951 Solver_block: 400 / 880 - Time: 0.951 Solver_block: 500 / 880 - Time: 0.956 Solver_block: 600 / 880 - Time: 0.957 Solver_block: 700 / 880 - Time: 0.959 Solver_block: 800 / 880 - Time: 0.955 Solver_block: 880 / 880 - Time: 0.778 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.650 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:14:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:14:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.022257143515610 0.000000000000000 0.000000000000000 b 0.000000000000000 7.504134100000002 0.000000000000000 c -1.019577065158253 0.000000000000000 12.088284590013401 Atomic positions (fractional): 1 Cs 0.15053102187048 0.65464611818694 0.07573334187606 132.905 2 Cs 0.55978053642632 0.37341928701166 0.15969036879616 132.905 3 Cs 0.11633094046419 0.17747057998385 0.19035498015977 132.905 4 Cs 0.88366905953581 0.67747057998385 0.30964501984023 132.905 5 Cs 0.44021946357368 0.87341928701166 0.34030963120384 132.905 6 Cs 0.84946897812952 0.15464611818694 0.42426665812394 132.905 7 Cs 0.15053102187048 0.84535388181306 0.57573334187605 132.905 8 Cs 0.55978053642632 0.12658071298834 0.65969036879616 132.905 9 Cs 0.11633094046419 0.32252942001615 0.69035498015977 132.905 10 Cs 0.88366905953581 0.82252942001615 0.80964501984023 132.905 11 Cs 0.44021946357368 0.62658071298834 0.84030963120384 132.905 12 Cs 0.84946897812952 0.34535388181306 0.92426665812395 132.905 13 Y 0.65465150715217 0.90737851957231 0.07198519805334 88.906 14 Y 0.34534849284783 0.40737851957231 0.42801480194666 88.906 15 Y 0.65465150715217 0.59262148042769 0.57198519805334 88.906 16 Y 0.34534849284783 0.09262148042769 0.92801480194666 88.906 17 O 0.74596644811692 0.64572819309704 0.05600715901691 15.999 18 O 0.38620868608715 0.94925440619523 0.08456628630865 15.999 19 O 0.78999348115840 0.04356756656195 0.20112191491452 15.999 20 O 0.21000651884160 0.54356756656195 0.29887808508547 15.999 21 O 0.61379131391285 0.44925440619523 0.41543371369135 15.999 22 O 0.25403355188308 0.14572819309704 0.44399284098309 15.999 23 O 0.74596644811692 0.85427180690296 0.55600715901691 15.999 24 O 0.38620868608715 0.55074559380477 0.58456628630865 15.999 25 O 0.78999348115840 0.45643243343805 0.70112191491453 15.999 26 O 0.21000651884160 0.95643243343805 0.79887808508547 15.999 27 O 0.61379131391285 0.05074559380477 0.91543371369135 15.999 28 O 0.25403355188308 0.35427180690296 0.94399284098309 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.044514287031220 0.000000000000000 0.000000000000000 b 0.000000000000000 15.008268200000003 0.000000000000000 c -1.019577065158253 0.000000000000000 12.088284590013401 Atomic positions (fractional): 1 Cs 0.07526551093524 0.32732305909347 0.07573334187606 132.905 > 1 2 Cs 0.57526551093524 0.32732305909347 0.07573334187606 132.905 > 1 3 Cs 0.07526551093524 0.82732305909347 0.07573334187606 132.905 > 1 4 Cs 0.57526551093524 0.82732305909347 0.07573334187606 132.905 > 1 5 Cs 0.27989026821316 0.18670964350583 0.15969036879616 132.905 > 5 6 Cs 0.77989026821316 0.18670964350583 0.15969036879616 132.905 > 5 7 Cs 0.27989026821316 0.68670964350583 0.15969036879616 132.905 > 5 8 Cs 0.77989026821316 0.68670964350583 0.15969036879616 132.905 > 5 9 Cs 0.05816547023209 0.08873528999192 0.19035498015977 132.905 > 9 10 Cs 0.55816547023209 0.08873528999192 0.19035498015977 132.905 > 9 11 Cs 0.05816547023209 0.58873528999192 0.19035498015977 132.905 > 9 12 Cs 0.55816547023209 0.58873528999192 0.19035498015977 132.905 > 9 13 Cs 0.44183452976791 0.33873528999192 0.30964501984023 132.905 > 13 14 Cs 0.94183452976791 0.33873528999192 0.30964501984023 132.905 > 13 15 Cs 0.44183452976791 0.83873528999192 0.30964501984023 132.905 > 13 16 Cs 0.94183452976791 0.83873528999192 0.30964501984023 132.905 > 13 17 Cs 0.22010973178684 0.43670964350583 0.34030963120384 132.905 > 17 18 Cs 0.72010973178684 0.43670964350583 0.34030963120384 132.905 > 17 19 Cs 0.22010973178684 0.93670964350583 0.34030963120384 132.905 > 17 20 Cs 0.72010973178684 0.93670964350583 0.34030963120384 132.905 > 17 21 Cs 0.42473448906476 0.07732305909347 0.42426665812394 132.905 > 21 22 Cs 0.92473448906476 0.07732305909347 0.42426665812394 132.905 > 21 23 Cs 0.42473448906476 0.57732305909347 0.42426665812394 132.905 > 21 24 Cs 0.92473448906476 0.57732305909347 0.42426665812394 132.905 > 21 25 Cs 0.07526551093524 0.42267694090653 0.57573334187605 132.905 > 25 26 Cs 0.57526551093524 0.42267694090653 0.57573334187605 132.905 > 25 27 Cs 0.07526551093524 0.92267694090653 0.57573334187605 132.905 > 25 28 Cs 0.57526551093524 0.92267694090653 0.57573334187605 132.905 > 25 29 Cs 0.27989026821316 0.06329035649417 0.65969036879616 132.905 > 29 30 Cs 0.77989026821316 0.06329035649417 0.65969036879616 132.905 > 29 31 Cs 0.27989026821316 0.56329035649417 0.65969036879616 132.905 > 29 32 Cs 0.77989026821316 0.56329035649417 0.65969036879616 132.905 > 29 33 Cs 0.05816547023209 0.16126471000808 0.69035498015977 132.905 > 33 34 Cs 0.55816547023209 0.16126471000808 0.69035498015977 132.905 > 33 35 Cs 0.05816547023209 0.66126471000808 0.69035498015977 132.905 > 33 36 Cs 0.55816547023209 0.66126471000808 0.69035498015977 132.905 > 33 37 Cs 0.44183452976791 0.41126471000808 0.80964501984023 132.905 > 37 38 Cs 0.94183452976791 0.41126471000808 0.80964501984023 132.905 > 37 39 Cs 0.44183452976791 0.91126471000808 0.80964501984023 132.905 > 37 40 Cs 0.94183452976791 0.91126471000808 0.80964501984023 132.905 > 37 41 Cs 0.22010973178684 0.31329035649417 0.84030963120384 132.905 > 41 42 Cs 0.72010973178684 0.31329035649417 0.84030963120384 132.905 > 41 43 Cs 0.22010973178684 0.81329035649417 0.84030963120384 132.905 > 41 44 Cs 0.72010973178684 0.81329035649417 0.84030963120384 132.905 > 41 45 Cs 0.42473448906476 0.17267694090653 0.92426665812395 132.905 > 45 46 Cs 0.92473448906476 0.17267694090653 0.92426665812395 132.905 > 45 47 Cs 0.42473448906476 0.67267694090653 0.92426665812395 132.905 > 45 48 Cs 0.92473448906476 0.67267694090653 0.92426665812395 132.905 > 45 49 Y 0.32732575357609 0.45368925978616 0.07198519805334 88.906 > 49 50 Y 0.82732575357609 0.45368925978616 0.07198519805334 88.906 > 49 51 Y 0.32732575357609 0.95368925978616 0.07198519805334 88.906 > 49 52 Y 0.82732575357609 0.95368925978616 0.07198519805334 88.906 > 49 53 Y 0.17267424642391 0.20368925978616 0.42801480194666 88.906 > 53 54 Y 0.67267424642391 0.20368925978616 0.42801480194666 88.906 > 53 55 Y 0.17267424642391 0.70368925978616 0.42801480194666 88.906 > 53 56 Y 0.67267424642391 0.70368925978616 0.42801480194666 88.906 > 53 57 Y 0.32732575357609 0.29631074021384 0.57198519805334 88.906 > 57 58 Y 0.82732575357609 0.29631074021384 0.57198519805334 88.906 > 57 59 Y 0.32732575357609 0.79631074021384 0.57198519805334 88.906 > 57 60 Y 0.82732575357609 0.79631074021384 0.57198519805334 88.906 > 57 61 Y 0.17267424642391 0.04631074021384 0.92801480194666 88.906 > 61 62 Y 0.67267424642391 0.04631074021384 0.92801480194666 88.906 > 61 63 Y 0.17267424642391 0.54631074021384 0.92801480194666 88.906 > 61 64 Y 0.67267424642391 0.54631074021384 0.92801480194666 88.906 > 61 65 O 0.37298322405846 0.32286409654852 0.05600715901691 15.999 > 65 66 O 0.87298322405846 0.32286409654852 0.05600715901691 15.999 > 65 67 O 0.37298322405846 0.82286409654852 0.05600715901691 15.999 > 65 68 O 0.87298322405846 0.82286409654852 0.05600715901691 15.999 > 65 69 O 0.19310434304357 0.47462720309762 0.08456628630865 15.999 > 69 70 O 0.69310434304357 0.47462720309762 0.08456628630865 15.999 > 69 71 O 0.19310434304357 0.97462720309762 0.08456628630865 15.999 > 69 72 O 0.69310434304357 0.97462720309762 0.08456628630865 15.999 > 69 73 O 0.39499674057920 0.02178378328097 0.20112191491452 15.999 > 73 74 O 0.89499674057920 0.02178378328097 0.20112191491452 15.999 > 73 75 O 0.39499674057920 0.52178378328097 0.20112191491452 15.999 > 73 76 O 0.89499674057920 0.52178378328097 0.20112191491452 15.999 > 73 77 O 0.10500325942080 0.27178378328097 0.29887808508547 15.999 > 77 78 O 0.60500325942080 0.27178378328097 0.29887808508547 15.999 > 77 79 O 0.10500325942080 0.77178378328097 0.29887808508547 15.999 > 77 80 O 0.60500325942080 0.77178378328097 0.29887808508547 15.999 > 77 81 O 0.30689565695643 0.22462720309762 0.41543371369135 15.999 > 81 82 O 0.80689565695643 0.22462720309762 0.41543371369135 15.999 > 81 83 O 0.30689565695643 0.72462720309762 0.41543371369135 15.999 > 81 84 O 0.80689565695643 0.72462720309762 0.41543371369135 15.999 > 81 85 O 0.12701677594154 0.07286409654852 0.44399284098309 15.999 > 85 86 O 0.62701677594154 0.07286409654852 0.44399284098309 15.999 > 85 87 O 0.12701677594154 0.57286409654852 0.44399284098309 15.999 > 85 88 O 0.62701677594154 0.57286409654852 0.44399284098309 15.999 > 85 89 O 0.37298322405846 0.42713590345148 0.55600715901691 15.999 > 89 90 O 0.87298322405846 0.42713590345148 0.55600715901691 15.999 > 89 91 O 0.37298322405846 0.92713590345148 0.55600715901691 15.999 > 89 92 O 0.87298322405846 0.92713590345148 0.55600715901691 15.999 > 89 93 O 0.19310434304357 0.27537279690238 0.58456628630865 15.999 > 93 94 O 0.69310434304357 0.27537279690238 0.58456628630865 15.999 > 93 95 O 0.19310434304357 0.77537279690238 0.58456628630865 15.999 > 93 96 O 0.69310434304357 0.77537279690238 0.58456628630865 15.999 > 93 97 O 0.39499674057920 0.22821621671903 0.70112191491453 15.999 > 97 98 O 0.89499674057920 0.22821621671903 0.70112191491453 15.999 > 97 99 O 0.39499674057920 0.72821621671903 0.70112191491453 15.999 > 97 100 O 0.89499674057920 0.72821621671903 0.70112191491453 15.999 > 97 101 O 0.10500325942080 0.47821621671903 0.79887808508547 15.999 > 101 102 O 0.60500325942080 0.47821621671903 0.79887808508547 15.999 > 101 103 O 0.10500325942080 0.97821621671903 0.79887808508547 15.999 > 101 104 O 0.60500325942080 0.97821621671903 0.79887808508547 15.999 > 101 105 O 0.30689565695643 0.02537279690238 0.91543371369135 15.999 > 105 106 O 0.80689565695643 0.02537279690238 0.91543371369135 15.999 > 105 107 O 0.30689565695643 0.52537279690238 0.91543371369135 15.999 > 105 108 O 0.80689565695643 0.52537279690238 0.91543371369135 15.999 > 105 109 O 0.12701677594154 0.17713590345148 0.94399284098309 15.999 > 109 110 O 0.62701677594154 0.17713590345148 0.94399284098309 15.999 > 109 111 O 0.12701677594154 0.67713590345148 0.94399284098309 15.999 > 109 112 O 0.62701677594154 0.67713590345148 0.94399284098309 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5103343 0.0000000 0.0597287 0.0000000 3.5610891 0.0000000 0.0597254 0.0000000 3.6354990 -------------------------- Born effective charges -------------------------- 1 Cs 1.2484552 0.0953167 -0.0352586 0.0709623 1.2704684 0.0564868 -0.0530812 0.0457947 1.4465855 2 Cs 1.1382246 0.0381268 -0.0219614 0.0769923 1.4246103 -0.0927699 -0.0378424 -0.0680011 1.3027407 3 Cs 1.4838717 0.1545801 -0.0885672 0.1705401 1.1779640 0.0535364 -0.0359948 0.0917013 1.2197687 4 Cs 1.4838717 -0.1545801 -0.0885672 -0.1705401 1.1779640 -0.0535364 -0.0359948 -0.0917013 1.2197687 5 Cs 1.1382246 -0.0381268 -0.0219614 -0.0769923 1.4246103 0.0927699 -0.0378424 0.0680011 1.3027407 6 Cs 1.2484552 -0.0953167 -0.0352586 -0.0709623 1.2704684 -0.0564868 -0.0530812 -0.0457947 1.4465855 7 Cs 1.2484552 -0.0953167 -0.0352586 -0.0709623 1.2704684 -0.0564868 -0.0530812 -0.0457947 1.4465855 8 Cs 1.1382246 -0.0381268 -0.0219614 -0.0769923 1.4246103 0.0927699 -0.0378424 0.0680011 1.3027407 9 Cs 1.4838717 -0.1545801 -0.0885672 -0.1705401 1.1779640 -0.0535364 -0.0359948 -0.0917013 1.2197687 10 Cs 1.4838717 0.1545801 -0.0885672 0.1705401 1.1779640 0.0535364 -0.0359948 0.0917013 1.2197687 11 Cs 1.1382246 0.0381268 -0.0219614 0.0769923 1.4246103 -0.0927699 -0.0378424 -0.0680011 1.3027407 12 Cs 1.2484552 0.0953167 -0.0352586 0.0709623 1.2704684 0.0564868 -0.0530812 0.0457947 1.4465855 13 Y 2.6574128 -0.4744143 0.5971252 -0.5148711 2.8826064 0.0407712 0.5589869 0.0086368 2.8705478 14 Y 2.6574128 0.4744143 0.5971252 0.5148711 2.8826064 -0.0407712 0.5589869 -0.0086368 2.8705478 15 Y 2.6574128 0.4744143 0.5971252 0.5148711 2.8826064 -0.0407712 0.5589869 -0.0086368 2.8705478 16 Y 2.6574128 -0.4744143 0.5971252 -0.5148711 2.8826064 0.0407712 0.5589869 0.0086368 2.8705478 17 O -1.9412326 0.3822325 0.1832533 0.3509056 -2.9224882 -0.1030391 0.1488905 -0.1001175 -1.9629582 18 O -2.4026498 0.1815067 -0.1213698 0.1644273 -1.7737891 0.4449937 -0.0774058 0.4647634 -2.2243609 19 O -2.1840820 -0.3706731 -0.5132215 -0.3670060 -2.0593718 -0.3476067 -0.5035531 -0.4160450 -2.6523234 20 O -2.1840820 0.3706731 -0.5132215 0.3670060 -2.0593718 0.3476067 -0.5035531 0.4160450 -2.6523234 21 O -2.4026498 -0.1815067 -0.1213698 -0.1644273 -1.7737891 -0.4449937 -0.0774058 -0.4647634 -2.2243609 22 O -1.9412326 -0.3822325 0.1832533 -0.3509056 -2.9224882 0.1030391 0.1488905 0.1001175 -1.9629582 23 O -1.9412326 -0.3822325 0.1832533 -0.3509056 -2.9224882 0.1030391 0.1488905 0.1001175 -1.9629582 24 O -2.4026498 -0.1815067 -0.1213698 -0.1644273 -1.7737891 -0.4449937 -0.0774058 -0.4647634 -2.2243609 25 O -2.1840820 0.3706731 -0.5132215 0.3670060 -2.0593718 0.3476067 -0.5035531 0.4160450 -2.6523234 26 O -2.1840820 -0.3706731 -0.5132215 -0.3670060 -2.0593718 -0.3476067 -0.5035531 -0.4160450 -2.6523234 27 O -2.4026498 0.1815067 -0.1213698 0.1644273 -1.7737891 0.4449937 -0.0774058 0.4647634 -2.2243609 28 O -1.9412326 0.3822325 0.1832533 0.3509056 -2.9224882 -0.1030391 0.1488905 -0.1001175 -1.9629582 ---------------------------------------------------------------------------- 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 5, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 9, 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] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 69, 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] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) 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 2026-01-09 02:15:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:15:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.022257143515610 0.000000000000000 0.000000000000000 b 0.000000000000000 7.504134100000002 0.000000000000000 c -1.019577065158253 0.000000000000000 12.088284590013401 Atomic positions (fractional): 1 Cs 0.15053102187048 0.65464611818694 0.07573334187606 132.905 2 Cs 0.55978053642632 0.37341928701166 0.15969036879616 132.905 3 Cs 0.11633094046419 0.17747057998385 0.19035498015977 132.905 4 Cs 0.88366905953581 0.67747057998385 0.30964501984023 132.905 5 Cs 0.44021946357368 0.87341928701166 0.34030963120384 132.905 6 Cs 0.84946897812952 0.15464611818694 0.42426665812394 132.905 7 Cs 0.15053102187048 0.84535388181306 0.57573334187605 132.905 8 Cs 0.55978053642632 0.12658071298834 0.65969036879616 132.905 9 Cs 0.11633094046419 0.32252942001615 0.69035498015977 132.905 10 Cs 0.88366905953581 0.82252942001615 0.80964501984023 132.905 11 Cs 0.44021946357368 0.62658071298834 0.84030963120384 132.905 12 Cs 0.84946897812952 0.34535388181306 0.92426665812395 132.905 13 Y 0.65465150715217 0.90737851957231 0.07198519805334 88.906 14 Y 0.34534849284783 0.40737851957231 0.42801480194666 88.906 15 Y 0.65465150715217 0.59262148042769 0.57198519805334 88.906 16 Y 0.34534849284783 0.09262148042769 0.92801480194666 88.906 17 O 0.74596644811692 0.64572819309704 0.05600715901691 15.999 18 O 0.38620868608715 0.94925440619523 0.08456628630865 15.999 19 O 0.78999348115840 0.04356756656195 0.20112191491452 15.999 20 O 0.21000651884160 0.54356756656195 0.29887808508547 15.999 21 O 0.61379131391285 0.44925440619523 0.41543371369135 15.999 22 O 0.25403355188308 0.14572819309704 0.44399284098309 15.999 23 O 0.74596644811692 0.85427180690296 0.55600715901691 15.999 24 O 0.38620868608715 0.55074559380477 0.58456628630865 15.999 25 O 0.78999348115840 0.45643243343805 0.70112191491453 15.999 26 O 0.21000651884160 0.95643243343805 0.79887808508547 15.999 27 O 0.61379131391285 0.05074559380477 0.91543371369135 15.999 28 O 0.25403355188308 0.35427180690296 0.94399284098309 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.044514287031220 0.000000000000000 0.000000000000000 b 0.000000000000000 15.008268200000003 0.000000000000000 c -1.019577065158253 0.000000000000000 12.088284590013401 Atomic positions (fractional): 1 Cs 0.07526551093524 0.32732305909347 0.07573334187606 132.905 > 1 2 Cs 0.57526551093524 0.32732305909347 0.07573334187606 132.905 > 1 3 Cs 0.07526551093524 0.82732305909347 0.07573334187606 132.905 > 1 4 Cs 0.57526551093524 0.82732305909347 0.07573334187606 132.905 > 1 5 Cs 0.27989026821316 0.18670964350583 0.15969036879616 132.905 > 5 6 Cs 0.77989026821316 0.18670964350583 0.15969036879616 132.905 > 5 7 Cs 0.27989026821316 0.68670964350583 0.15969036879616 132.905 > 5 8 Cs 0.77989026821316 0.68670964350583 0.15969036879616 132.905 > 5 9 Cs 0.05816547023209 0.08873528999192 0.19035498015977 132.905 > 9 10 Cs 0.55816547023209 0.08873528999192 0.19035498015977 132.905 > 9 11 Cs 0.05816547023209 0.58873528999192 0.19035498015977 132.905 > 9 12 Cs 0.55816547023209 0.58873528999192 0.19035498015977 132.905 > 9 13 Cs 0.44183452976791 0.33873528999192 0.30964501984023 132.905 > 13 14 Cs 0.94183452976791 0.33873528999192 0.30964501984023 132.905 > 13 15 Cs 0.44183452976791 0.83873528999192 0.30964501984023 132.905 > 13 16 Cs 0.94183452976791 0.83873528999192 0.30964501984023 132.905 > 13 17 Cs 0.22010973178684 0.43670964350583 0.34030963120384 132.905 > 17 18 Cs 0.72010973178684 0.43670964350583 0.34030963120384 132.905 > 17 19 Cs 0.22010973178684 0.93670964350583 0.34030963120384 132.905 > 17 20 Cs 0.72010973178684 0.93670964350583 0.34030963120384 132.905 > 17 21 Cs 0.42473448906476 0.07732305909347 0.42426665812394 132.905 > 21 22 Cs 0.92473448906476 0.07732305909347 0.42426665812394 132.905 > 21 23 Cs 0.42473448906476 0.57732305909347 0.42426665812394 132.905 > 21 24 Cs 0.92473448906476 0.57732305909347 0.42426665812394 132.905 > 21 25 Cs 0.07526551093524 0.42267694090653 0.57573334187605 132.905 > 25 26 Cs 0.57526551093524 0.42267694090653 0.57573334187605 132.905 > 25 27 Cs 0.07526551093524 0.92267694090653 0.57573334187605 132.905 > 25 28 Cs 0.57526551093524 0.92267694090653 0.57573334187605 132.905 > 25 29 Cs 0.27989026821316 0.06329035649417 0.65969036879616 132.905 > 29 30 Cs 0.77989026821316 0.06329035649417 0.65969036879616 132.905 > 29 31 Cs 0.27989026821316 0.56329035649417 0.65969036879616 132.905 > 29 32 Cs 0.77989026821316 0.56329035649417 0.65969036879616 132.905 > 29 33 Cs 0.05816547023209 0.16126471000808 0.69035498015977 132.905 > 33 34 Cs 0.55816547023209 0.16126471000808 0.69035498015977 132.905 > 33 35 Cs 0.05816547023209 0.66126471000808 0.69035498015977 132.905 > 33 36 Cs 0.55816547023209 0.66126471000808 0.69035498015977 132.905 > 33 37 Cs 0.44183452976791 0.41126471000808 0.80964501984023 132.905 > 37 38 Cs 0.94183452976791 0.41126471000808 0.80964501984023 132.905 > 37 39 Cs 0.44183452976791 0.91126471000808 0.80964501984023 132.905 > 37 40 Cs 0.94183452976791 0.91126471000808 0.80964501984023 132.905 > 37 41 Cs 0.22010973178684 0.31329035649417 0.84030963120384 132.905 > 41 42 Cs 0.72010973178684 0.31329035649417 0.84030963120384 132.905 > 41 43 Cs 0.22010973178684 0.81329035649417 0.84030963120384 132.905 > 41 44 Cs 0.72010973178684 0.81329035649417 0.84030963120384 132.905 > 41 45 Cs 0.42473448906476 0.17267694090653 0.92426665812395 132.905 > 45 46 Cs 0.92473448906476 0.17267694090653 0.92426665812395 132.905 > 45 47 Cs 0.42473448906476 0.67267694090653 0.92426665812395 132.905 > 45 48 Cs 0.92473448906476 0.67267694090653 0.92426665812395 132.905 > 45 49 Y 0.32732575357609 0.45368925978616 0.07198519805334 88.906 > 49 50 Y 0.82732575357609 0.45368925978616 0.07198519805334 88.906 > 49 51 Y 0.32732575357609 0.95368925978616 0.07198519805334 88.906 > 49 52 Y 0.82732575357609 0.95368925978616 0.07198519805334 88.906 > 49 53 Y 0.17267424642391 0.20368925978616 0.42801480194666 88.906 > 53 54 Y 0.67267424642391 0.20368925978616 0.42801480194666 88.906 > 53 55 Y 0.17267424642391 0.70368925978616 0.42801480194666 88.906 > 53 56 Y 0.67267424642391 0.70368925978616 0.42801480194666 88.906 > 53 57 Y 0.32732575357609 0.29631074021384 0.57198519805334 88.906 > 57 58 Y 0.82732575357609 0.29631074021384 0.57198519805334 88.906 > 57 59 Y 0.32732575357609 0.79631074021384 0.57198519805334 88.906 > 57 60 Y 0.82732575357609 0.79631074021384 0.57198519805334 88.906 > 57 61 Y 0.17267424642391 0.04631074021384 0.92801480194666 88.906 > 61 62 Y 0.67267424642391 0.04631074021384 0.92801480194666 88.906 > 61 63 Y 0.17267424642391 0.54631074021384 0.92801480194666 88.906 > 61 64 Y 0.67267424642391 0.54631074021384 0.92801480194666 88.906 > 61 65 O 0.37298322405846 0.32286409654852 0.05600715901691 15.999 > 65 66 O 0.87298322405846 0.32286409654852 0.05600715901691 15.999 > 65 67 O 0.37298322405846 0.82286409654852 0.05600715901691 15.999 > 65 68 O 0.87298322405846 0.82286409654852 0.05600715901691 15.999 > 65 69 O 0.19310434304357 0.47462720309762 0.08456628630865 15.999 > 69 70 O 0.69310434304357 0.47462720309762 0.08456628630865 15.999 > 69 71 O 0.19310434304357 0.97462720309762 0.08456628630865 15.999 > 69 72 O 0.69310434304357 0.97462720309762 0.08456628630865 15.999 > 69 73 O 0.39499674057920 0.02178378328097 0.20112191491452 15.999 > 73 74 O 0.89499674057920 0.02178378328097 0.20112191491452 15.999 > 73 75 O 0.39499674057920 0.52178378328097 0.20112191491452 15.999 > 73 76 O 0.89499674057920 0.52178378328097 0.20112191491452 15.999 > 73 77 O 0.10500325942080 0.27178378328097 0.29887808508547 15.999 > 77 78 O 0.60500325942080 0.27178378328097 0.29887808508547 15.999 > 77 79 O 0.10500325942080 0.77178378328097 0.29887808508547 15.999 > 77 80 O 0.60500325942080 0.77178378328097 0.29887808508547 15.999 > 77 81 O 0.30689565695643 0.22462720309762 0.41543371369135 15.999 > 81 82 O 0.80689565695643 0.22462720309762 0.41543371369135 15.999 > 81 83 O 0.30689565695643 0.72462720309762 0.41543371369135 15.999 > 81 84 O 0.80689565695643 0.72462720309762 0.41543371369135 15.999 > 81 85 O 0.12701677594154 0.07286409654852 0.44399284098309 15.999 > 85 86 O 0.62701677594154 0.07286409654852 0.44399284098309 15.999 > 85 87 O 0.12701677594154 0.57286409654852 0.44399284098309 15.999 > 85 88 O 0.62701677594154 0.57286409654852 0.44399284098309 15.999 > 85 89 O 0.37298322405846 0.42713590345148 0.55600715901691 15.999 > 89 90 O 0.87298322405846 0.42713590345148 0.55600715901691 15.999 > 89 91 O 0.37298322405846 0.92713590345148 0.55600715901691 15.999 > 89 92 O 0.87298322405846 0.92713590345148 0.55600715901691 15.999 > 89 93 O 0.19310434304357 0.27537279690238 0.58456628630865 15.999 > 93 94 O 0.69310434304357 0.27537279690238 0.58456628630865 15.999 > 93 95 O 0.19310434304357 0.77537279690238 0.58456628630865 15.999 > 93 96 O 0.69310434304357 0.77537279690238 0.58456628630865 15.999 > 93 97 O 0.39499674057920 0.22821621671903 0.70112191491453 15.999 > 97 98 O 0.89499674057920 0.22821621671903 0.70112191491453 15.999 > 97 99 O 0.39499674057920 0.72821621671903 0.70112191491453 15.999 > 97 100 O 0.89499674057920 0.72821621671903 0.70112191491453 15.999 > 97 101 O 0.10500325942080 0.47821621671903 0.79887808508547 15.999 > 101 102 O 0.60500325942080 0.47821621671903 0.79887808508547 15.999 > 101 103 O 0.10500325942080 0.97821621671903 0.79887808508547 15.999 > 101 104 O 0.60500325942080 0.97821621671903 0.79887808508547 15.999 > 101 105 O 0.30689565695643 0.02537279690238 0.91543371369135 15.999 > 105 106 O 0.80689565695643 0.02537279690238 0.91543371369135 15.999 > 105 107 O 0.30689565695643 0.52537279690238 0.91543371369135 15.999 > 105 108 O 0.80689565695643 0.52537279690238 0.91543371369135 15.999 > 105 109 O 0.12701677594154 0.17713590345148 0.94399284098309 15.999 > 109 110 O 0.62701677594154 0.17713590345148 0.94399284098309 15.999 > 109 111 O 0.12701677594154 0.67713590345148 0.94399284098309 15.999 > 109 112 O 0.62701677594154 0.67713590345148 0.94399284098309 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5103343 0.0000000 0.0597287 0.0000000 3.5610891 0.0000000 0.0597254 0.0000000 3.6354990 -------------------------- Born effective charges -------------------------- 1 Cs 1.2484552 0.0953167 -0.0352586 0.0709623 1.2704684 0.0564868 -0.0530812 0.0457947 1.4465855 2 Cs 1.1382246 0.0381268 -0.0219614 0.0769923 1.4246103 -0.0927699 -0.0378424 -0.0680011 1.3027407 3 Cs 1.4838717 0.1545801 -0.0885672 0.1705401 1.1779640 0.0535364 -0.0359948 0.0917013 1.2197687 4 Cs 1.4838717 -0.1545801 -0.0885672 -0.1705401 1.1779640 -0.0535364 -0.0359948 -0.0917013 1.2197687 5 Cs 1.1382246 -0.0381268 -0.0219614 -0.0769923 1.4246103 0.0927699 -0.0378424 0.0680011 1.3027407 6 Cs 1.2484552 -0.0953167 -0.0352586 -0.0709623 1.2704684 -0.0564868 -0.0530812 -0.0457947 1.4465855 7 Cs 1.2484552 -0.0953167 -0.0352586 -0.0709623 1.2704684 -0.0564868 -0.0530812 -0.0457947 1.4465855 8 Cs 1.1382246 -0.0381268 -0.0219614 -0.0769923 1.4246103 0.0927699 -0.0378424 0.0680011 1.3027407 9 Cs 1.4838717 -0.1545801 -0.0885672 -0.1705401 1.1779640 -0.0535364 -0.0359948 -0.0917013 1.2197687 10 Cs 1.4838717 0.1545801 -0.0885672 0.1705401 1.1779640 0.0535364 -0.0359948 0.0917013 1.2197687 11 Cs 1.1382246 0.0381268 -0.0219614 0.0769923 1.4246103 -0.0927699 -0.0378424 -0.0680011 1.3027407 12 Cs 1.2484552 0.0953167 -0.0352586 0.0709623 1.2704684 0.0564868 -0.0530812 0.0457947 1.4465855 13 Y 2.6574128 -0.4744143 0.5971252 -0.5148711 2.8826064 0.0407712 0.5589869 0.0086368 2.8705478 14 Y 2.6574128 0.4744143 0.5971252 0.5148711 2.8826064 -0.0407712 0.5589869 -0.0086368 2.8705478 15 Y 2.6574128 0.4744143 0.5971252 0.5148711 2.8826064 -0.0407712 0.5589869 -0.0086368 2.8705478 16 Y 2.6574128 -0.4744143 0.5971252 -0.5148711 2.8826064 0.0407712 0.5589869 0.0086368 2.8705478 17 O -1.9412326 0.3822325 0.1832533 0.3509056 -2.9224882 -0.1030391 0.1488905 -0.1001175 -1.9629582 18 O -2.4026498 0.1815067 -0.1213698 0.1644273 -1.7737891 0.4449937 -0.0774058 0.4647634 -2.2243609 19 O -2.1840820 -0.3706731 -0.5132215 -0.3670060 -2.0593718 -0.3476067 -0.5035531 -0.4160450 -2.6523234 20 O -2.1840820 0.3706731 -0.5132215 0.3670060 -2.0593718 0.3476067 -0.5035531 0.4160450 -2.6523234 21 O -2.4026498 -0.1815067 -0.1213698 -0.1644273 -1.7737891 -0.4449937 -0.0774058 -0.4647634 -2.2243609 22 O -1.9412326 -0.3822325 0.1832533 -0.3509056 -2.9224882 0.1030391 0.1488905 0.1001175 -1.9629582 23 O -1.9412326 -0.3822325 0.1832533 -0.3509056 -2.9224882 0.1030391 0.1488905 0.1001175 -1.9629582 24 O -2.4026498 -0.1815067 -0.1213698 -0.1644273 -1.7737891 -0.4449937 -0.0774058 -0.4647634 -2.2243609 25 O -2.1840820 0.3706731 -0.5132215 0.3670060 -2.0593718 0.3476067 -0.5035531 0.4160450 -2.6523234 26 O -2.1840820 -0.3706731 -0.5132215 -0.3670060 -2.0593718 -0.3476067 -0.5035531 -0.4160450 -2.6523234 27 O -2.4026498 0.1815067 -0.1213698 0.1644273 -1.7737891 0.4449937 -0.0774058 0.4647634 -2.2243609 28 O -1.9412326 0.3822325 0.1832533 0.3509056 -2.9224882 -0.1030391 0.1488905 -0.1001175 -1.9629582 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 4 ] 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: 0.46, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 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 0.756 ( 0.000 0.000 0.000) 0.000 1.033 ( 0.000 0.000 0.000) 0.000 1.045 ( 0.000 0.000 0.000) 0.000 1.090 ( 0.000 0.000 0.000) 0.000 1.095 ( 0.000 0.000 0.000) 0.000 1.128 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.273 ( 0.000 0.000 0.000) 0.000 1.279 ( 0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 11.076 ( 0.000 0.000 0.000) 0.000 12.277 ( 0.000 0.000 0.000) 0.000 12.410 ( 0.000 0.000 0.000) 0.000 12.751 ( 0.000 0.000 0.000) 0.000 12.846 ( 0.000 0.000 0.000) 0.000 13.064 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 14.012 ( 0.000 0.000 0.000) 0.000 14.142 ( 0.000 0.000 0.000) 0.000 14.674 ( 0.000 0.000 0.000) 0.000 14.750 ( 0.000 0.000 0.000) 0.000 16.328 ( 0.000 0.000 0.000) 0.000 16.504 ( 0.000 0.000 0.000) 0.000 16.791 ( 0.000 0.000 0.000) 0.000 16.837 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( 11.820 0.000 5.193) 12.910 0.341 ( 16.887 0.000 -8.724) 19.007 0.575 ( 24.259 0.000 13.522) 27.773 0.841 ( 7.522 0.000 -3.096) 8.135 0.889 ( -6.042 0.000 2.507) 6.542 0.980 ( -6.368 0.000 -5.958) 8.720 1.100 ( -4.142 0.000 -0.393) 4.161 1.103 ( -0.135 0.000 1.294) 1.301 1.149 ( 1.425 0.000 1.122) 1.814 1.193 ( 5.711 0.000 0.174) 5.714 1.265 ( -0.796 0.000 -5.090) 5.152 1.278 ( -0.863 0.000 -0.198) 0.886 1.304 ( -1.863 0.000 2.470) 3.094 1.382 ( 3.138 0.000 1.658) 3.549 1.477 ( -0.240 0.000 -4.932) 4.938 1.543 ( -4.613 0.000 4.566) 6.490 1.583 ( 0.851 0.000 -7.409) 7.458 1.640 ( -1.118 0.000 2.527) 2.763 1.656 ( -1.124 0.000 5.077) 5.200 1.705 ( 1.070 0.000 0.144) 1.079 1.735 ( -0.685 0.000 -0.494) 0.844 1.749 ( -0.545 0.000 -2.791) 2.844 1.792 ( 0.840 0.000 7.674) 7.720 1.881 ( -0.830 0.000 -1.769) 1.954 1.940 ( 0.426 0.000 4.109) 4.131 1.957 ( -1.370 0.000 4.105) 4.328 2.028 ( -0.047 0.000 2.839) 2.839 2.118 ( -1.784 0.000 -3.561) 3.983 2.133 ( -0.153 0.000 5.753) 5.755 2.188 ( -1.968 0.000 -0.886) 2.158 2.227 ( -2.966 0.000 0.089) 2.967 2.276 ( 0.107 0.000 -3.420) 3.422 2.397 ( -3.034 0.000 -1.051) 3.211 2.406 ( -0.110 0.000 -3.226) 3.228 2.506 ( -0.321 0.000 2.520) 2.540 2.541 ( -0.898 0.000 -6.254) 6.318 2.618 ( -3.322 0.000 3.699) 4.972 2.767 ( -4.938 0.000 1.775) 5.247 2.897 ( 0.259 0.000 1.177) 1.206 2.903 ( -0.097 0.000 3.185) 3.186 2.957 ( 5.704 0.000 6.088) 8.342 2.988 ( 2.177 0.000 -10.556) 10.779 3.072 ( 4.041 0.000 3.602) 5.413 3.226 ( -1.714 0.000 2.540) 3.065 3.230 ( -2.403 0.000 -0.568) 2.470 3.313 ( 0.346 0.000 -0.896) 0.960 3.679 ( -2.453 0.000 -0.024) 2.453 3.731 ( -5.464 0.000 7.387) 9.188 4.075 ( 2.190 0.000 3.806) 4.391 4.167 ( 1.411 0.000 1.638) 2.162 4.380 ( -3.401 0.000 4.379) 5.545 4.581 ( -12.432 0.000 -3.408) 12.891 4.728 ( -6.647 0.000 -12.732) 14.363 4.905 ( -4.778 0.000 -4.698) 6.701 5.107 ( 4.294 0.000 -10.877) 11.694 5.212 ( 0.623 0.000 9.169) 9.190 5.452 ( 5.219 0.000 2.078) 5.618 5.500 ( -17.488 0.000 -13.033) 21.810 6.097 ( 4.061 0.000 -1.992) 4.524 6.271 ( 4.021 0.000 7.740) 8.723 6.414 ( -3.428 0.000 -4.133) 5.369 6.666 ( 0.346 0.000 -8.403) 8.410 6.823 ( 8.956 0.000 -2.182) 9.218 7.340 ( -6.585 0.000 0.658) 6.618 7.402 ( -0.624 0.000 -2.943) 3.008 7.415 ( -3.561 0.000 2.760) 4.505 7.804 ( 12.817 0.000 -10.018) 16.268 7.906 ( 7.590 0.000 -3.250) 8.256 11.031 ( -0.128 0.000 -1.172) 1.179 11.078 ( 0.144 0.000 0.890) 0.902 12.398 ( 10.301 0.000 -0.251) 10.304 12.420 ( -0.607 0.000 -4.928) 4.965 12.873 ( 2.308 0.000 -0.326) 2.330 13.050 ( -1.531 0.000 0.822) 1.738 13.247 ( 0.794 0.000 -0.664) 1.035 13.967 ( 0.570 0.000 -17.242) 17.251 14.041 ( 2.786 0.000 -7.634) 8.127 14.648 ( -1.719 0.000 -4.783) 5.083 14.740 ( -1.248 0.000 3.299) 3.527 14.746 ( -5.631 0.000 57.506) 57.781 16.319 ( -0.985 0.000 2.121) 2.338 16.632 ( -5.710 0.000 9.565) 11.139 16.803 ( 1.233 0.000 -3.036) 3.277 16.896 ( 3.032 0.000 8.452) 8.979 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 6.517 0.000 4.016) 7.654 0.662 ( 14.854 0.000 -5.954) 16.003 0.827 ( -0.606 0.000 2.506) 2.579 0.861 ( -2.938 0.000 -5.296) 6.056 0.961 ( 7.926 0.000 7.690) 11.043 0.989 ( -4.568 0.000 -3.490) 5.749 1.015 ( 9.701 0.000 -5.073) 10.947 1.097 ( -1.687 0.000 2.179) 2.755 1.155 ( -2.173 0.000 -1.829) 2.841 1.167 ( -6.774 0.000 2.429) 7.196 1.245 ( -0.573 0.000 -1.315) 1.435 1.300 ( 0.506 0.000 0.635) 0.812 1.341 ( 9.249 0.000 0.057) 9.249 1.383 ( -1.587 0.000 -7.013) 7.191 1.489 ( 3.817 0.000 4.825) 6.153 1.503 ( 2.796 0.000 -2.310) 3.626 1.600 ( -3.839 0.000 1.663) 4.184 1.646 ( 1.859 0.000 3.086) 3.603 1.702 ( 1.742 0.000 0.029) 1.742 1.703 ( -2.154 0.000 -0.595) 2.235 1.733 ( 1.596 0.000 1.727) 2.352 1.760 ( 3.235 0.000 -1.529) 3.579 1.763 ( -9.043 0.000 9.221) 12.915 1.848 ( -1.590 0.000 3.922) 4.232 1.876 ( 1.152 0.000 -2.285) 2.558 1.940 ( -0.864 0.000 0.096) 0.869 2.001 ( -3.878 0.000 0.964) 3.996 2.022 ( -3.758 0.000 -2.808) 4.691 2.074 ( -3.959 0.000 -0.321) 3.972 2.218 ( -5.291 0.000 -2.813) 5.993 2.234 ( 1.853 0.000 -5.835) 6.122 2.252 ( 4.504 0.000 3.683) 5.818 2.344 ( -1.234 0.000 1.944) 2.303 2.346 ( -6.037 0.000 -1.493) 6.219 2.459 ( -3.742 0.000 1.257) 3.948 2.498 ( -0.193 0.000 0.625) 0.654 2.669 ( 5.929 0.000 -7.312) 9.414 2.696 ( -2.512 0.000 3.433) 4.254 2.910 ( 1.754 0.000 0.706) 1.891 2.917 ( 1.004 0.000 2.071) 2.301 3.013 ( 1.645 0.000 -7.237) 7.421 3.086 ( 4.160 0.000 7.643) 8.702 3.111 ( 0.027 0.000 0.394) 0.395 3.171 ( -3.152 0.000 1.667) 3.565 3.229 ( 1.001 0.000 1.060) 1.458 3.281 ( -2.783 0.000 -3.170) 4.218 3.624 ( -4.595 0.000 1.892) 4.969 3.635 ( -1.514 0.000 0.466) 1.584 4.069 ( -4.061 0.000 3.045) 5.076 4.203 ( -0.850 0.000 8.212) 8.256 4.288 ( -1.585 0.000 1.928) 2.496 4.433 ( 0.008 0.000 0.030) 0.031 4.645 ( -0.626 0.000 -4.547) 4.590 4.758 ( -6.889 0.000 -6.613) 9.549 4.945 ( -15.270 0.000 -23.579) 28.092 5.292 ( 4.039 0.000 8.929) 9.800 5.314 ( -0.026 0.000 1.898) 1.898 5.561 ( 5.808 0.000 3.497) 6.779 6.125 ( -0.511 0.000 4.866) 4.893 6.161 ( -12.803 0.000 1.616) 12.905 6.311 ( -3.843 0.000 -7.893) 8.779 6.798 ( 9.675 0.000 -0.494) 9.687 7.017 ( 7.418 0.000 4.447) 8.649 7.133 ( -8.953 0.000 -4.458) 10.001 7.446 ( 3.450 0.000 0.605) 3.503 7.451 ( 3.079 0.000 2.464) 3.944 8.008 ( 7.391 0.000 -4.568) 8.689 8.020 ( 3.504 0.000 -1.974) 4.022 11.031 ( 0.243 0.000 -1.162) 1.187 11.083 ( 0.131 0.000 0.893) 0.903 12.399 ( -0.741 0.000 -1.356) 1.546 12.622 ( 9.369 0.000 0.038) 9.369 12.922 ( 2.110 0.000 -0.221) 2.122 13.009 ( -2.133 0.000 0.440) 2.178 13.271 ( 1.309 0.000 -0.370) 1.360 13.953 ( -0.029 0.000 -5.339) 5.339 14.087 ( 2.300 0.000 -3.688) 4.346 14.605 ( -1.278 0.000 -3.831) 4.039 14.717 ( -1.224 0.000 2.391) 2.686 14.726 ( -2.573 0.000 19.010) 19.184 16.300 ( -0.973 0.000 1.657) 1.922 16.541 ( -3.492 0.000 1.126) 3.669 16.824 ( 1.022 0.000 -2.489) 2.690 16.960 ( 1.843 0.000 4.429) 4.798 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 0.000 0.000) 0.000 0.792 ( 0.000 0.000 0.000) 0.000 0.872 ( 0.000 0.000 -0.000) 0.000 0.904 ( 0.000 0.000 -0.000) 0.000 0.945 ( 0.000 0.000 -0.000) 0.000 0.974 ( 0.000 0.000 0.000) 0.000 1.044 ( 0.000 0.000 0.000) 0.000 1.046 ( 0.000 0.000 -0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 -0.000) 0.000 1.264 ( 0.000 0.000 -0.000) 0.000 1.273 ( 0.000 0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 -0.000) 0.000 1.539 ( 0.000 0.000 -0.000) 0.000 1.549 ( -0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 -0.000) 0.000 1.650 ( 0.000 0.000 -0.000) 0.000 1.672 ( 0.000 0.000 -0.000) 0.000 1.691 ( -0.000 0.000 -0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 -0.000) 0.000 1.861 ( -0.000 0.000 -0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 1.939 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 -0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 -0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 -0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 -0.000) 0.000 2.509 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 -0.000) 0.000 2.988 ( 0.000 0.000 -0.000) 0.000 3.027 ( 0.000 0.000 -0.000) 0.000 3.049 ( -0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 -0.000) 0.000 3.206 ( -0.000 0.000 -0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 -0.000) 0.000 3.619 ( 0.000 0.000 -0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 -0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 -0.000) 0.000 4.660 ( -0.000 0.000 -0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 -0.000) 0.000 5.344 ( 0.000 0.000 -0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 -0.000) 0.000 6.934 ( 0.000 0.000 -0.000) 0.000 7.007 ( 0.000 0.000 -0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 -0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 -0.000) 0.000 11.033 ( 0.000 0.000 0.000) 0.000 11.085 ( 0.000 0.000 -0.000) 0.000 12.389 ( 0.000 0.000 -0.000) 0.000 12.727 ( 0.000 0.000 -0.000) 0.000 12.946 ( 0.000 0.000 -0.000) 0.000 12.984 ( 0.000 0.000 -0.000) 0.000 13.287 ( 0.000 0.000 -0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 14.111 ( 0.000 0.000 -0.000) 0.000 14.588 ( 0.000 0.000 -0.000) 0.000 14.705 ( 0.000 0.000 0.000) 0.000 14.714 ( 0.000 0.000 -0.000) 0.000 16.291 ( 0.000 0.000 0.000) 0.000 16.504 ( 0.000 0.000 0.000) 0.000 16.832 ( 0.000 0.000 0.000) 0.000 16.983 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( 0.000 11.482 0.000) 11.482 0.298 ( 0.000 15.157 0.000) 15.157 0.539 ( 0.000 27.037 0.000) 27.037 0.805 ( 0.000 4.728 0.000) 4.728 1.010 ( 0.000 -1.669 0.000) 1.669 1.069 ( 0.000 0.649 0.000) 0.649 1.095 ( 0.000 0.333 0.000) 0.333 1.131 ( 0.000 -1.019 0.000) 1.019 1.154 ( 0.000 4.801 0.000) 4.801 1.193 ( 0.000 1.356 0.000) 1.356 1.278 ( 0.000 2.217 0.000) 2.217 1.278 ( 0.000 -2.813 0.000) 2.813 1.341 ( 0.000 3.908 0.000) 3.908 1.345 ( 0.000 0.437 0.000) 0.437 1.453 ( 0.000 -3.243 0.000) 3.243 1.510 ( 0.000 -1.530 0.000) 1.530 1.541 ( 0.000 0.294 0.000) 0.294 1.648 ( 0.000 -2.943 0.000) 2.943 1.691 ( 0.000 1.788 0.000) 1.788 1.700 ( 0.000 0.092 0.000) 0.092 1.712 ( 0.000 1.641 0.000) 1.641 1.782 ( 0.000 0.597 0.000) 0.597 1.825 ( 0.000 0.777 0.000) 0.777 1.859 ( 0.000 2.105 0.000) 2.105 1.940 ( 0.000 -0.407 0.000) 0.407 1.987 ( 0.000 3.953 0.000) 3.953 2.014 ( 0.000 -2.595 0.000) 2.595 2.113 ( 0.000 -1.069 0.000) 1.069 2.144 ( 0.000 1.879 0.000) 1.879 2.146 ( 0.000 0.953 0.000) 0.953 2.215 ( 0.000 -4.626 0.000) 4.626 2.332 ( 0.000 -0.039 0.000) 0.039 2.413 ( 0.000 -0.408 0.000) 0.408 2.439 ( 0.000 -2.135 0.000) 2.135 2.451 ( 0.000 0.558 0.000) 0.558 2.581 ( 0.000 -1.186 0.000) 1.186 2.662 ( 0.000 1.780 0.000) 1.780 2.763 ( 0.000 -5.942 0.000) 5.942 2.806 ( 0.000 -2.905 0.000) 2.905 2.810 ( 0.000 -2.157 0.000) 2.157 2.935 ( 0.000 2.125 0.000) 2.125 2.978 ( 0.000 2.818 0.000) 2.818 3.037 ( 0.000 2.488 0.000) 2.488 3.160 ( 0.000 1.370 0.000) 1.370 3.289 ( 0.000 2.753 0.000) 2.753 3.646 ( 0.000 -3.223 0.000) 3.223 3.664 ( 0.000 -4.250 0.000) 4.250 4.036 ( 0.000 -12.830 0.000) 12.830 4.084 ( 0.000 1.538 0.000) 1.538 4.199 ( 0.000 -0.669 0.000) 0.669 4.433 ( 0.000 -1.332 0.000) 1.332 4.663 ( 0.000 -9.590 0.000) 9.590 4.758 ( 0.000 -1.651 0.000) 1.651 4.900 ( 0.000 0.259 0.000) 0.259 5.028 ( 0.000 8.310 0.000) 8.310 5.316 ( 0.000 4.363 0.000) 4.363 5.515 ( 0.000 -1.067 0.000) 1.067 5.832 ( 0.000 -1.287 0.000) 1.287 5.951 ( 0.000 -1.086 0.000) 1.086 6.098 ( 0.000 10.672 0.000) 10.672 6.255 ( 0.000 6.886 0.000) 6.886 6.400 ( 0.000 -3.268 0.000) 3.268 6.746 ( 0.000 2.459 0.000) 2.459 7.207 ( 0.000 -4.960 0.000) 4.960 7.377 ( 0.000 -3.483 0.000) 3.483 7.534 ( 0.000 1.144 0.000) 1.144 7.567 ( 0.000 -2.345 0.000) 2.345 7.912 ( 0.000 -6.839 0.000) 6.839 11.036 ( 0.000 0.082 0.000) 0.082 11.074 ( 0.000 -0.150 0.000) 0.150 12.268 ( 0.000 -0.834 0.000) 0.834 12.407 ( 0.000 -0.662 0.000) 0.662 12.743 ( 0.000 0.037 0.000) 0.037 12.878 ( 0.000 3.165 0.000) 3.165 13.093 ( 0.000 2.373 0.000) 2.373 13.718 ( 0.000 -14.019 0.000) 14.019 14.146 ( 0.000 0.799 0.000) 0.799 14.152 ( 0.000 7.299 0.000) 7.299 14.847 ( 0.000 9.447 0.000) 9.447 16.037 ( 0.000 -5.652 0.000) 5.652 16.415 ( 0.000 -2.401 0.000) 2.401 16.484 ( 0.000 -1.808 0.000) 1.808 16.825 ( 0.000 3.083 0.000) 3.083 16.864 ( 0.000 2.423 0.000) 2.423 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 10.102 5.508 0.682) 11.527 0.435 ( 12.347 8.714 -2.359) 15.295 0.755 ( 12.065 14.554 6.915) 20.130 0.863 ( 4.111 2.448 -1.478) 5.008 0.916 ( -2.724 2.201 1.474) 3.800 1.001 ( -6.458 1.486 -5.956) 8.909 1.097 ( -0.470 0.936 0.190) 1.064 1.127 ( 1.878 0.434 1.514) 2.451 1.157 ( -0.923 2.118 -0.632) 2.396 1.222 ( 2.719 1.518 0.617) 3.175 1.255 ( -0.517 -1.470 -1.140) 1.931 1.273 ( -0.992 -0.725 0.843) 1.490 1.321 ( -1.060 3.138 -3.872) 5.095 1.415 ( 4.334 2.770 0.380) 5.158 1.458 ( 1.016 -0.250 0.018) 1.046 1.561 ( 4.197 -0.298 1.840) 4.592 1.594 ( 0.185 -3.379 3.769) 5.065 1.618 ( -5.095 2.573 -2.963) 6.431 1.641 ( -2.359 0.509 2.766) 3.671 1.688 ( 0.574 -0.617 1.237) 1.496 1.738 ( -0.809 -0.940 -1.538) 1.976 1.780 ( 0.276 2.112 -0.608) 2.215 1.810 ( 0.242 0.347 2.763) 2.796 1.851 ( 0.233 2.465 1.178) 2.742 1.935 ( -1.151 -1.375 0.809) 1.968 1.966 ( -1.267 1.126 1.513) 2.272 2.031 ( -1.303 -1.068 2.088) 2.683 2.088 ( -1.710 -1.620 1.056) 2.581 2.108 ( -2.863 -2.624 2.990) 4.902 2.150 ( -0.113 -4.018 -2.216) 4.590 2.222 ( 0.878 0.131 -4.098) 4.193 2.280 ( -3.173 -0.986 0.964) 3.459 2.395 ( -2.822 0.477 -0.974) 3.024 2.416 ( -1.378 0.206 -3.378) 3.654 2.497 ( 1.847 -1.095 -0.220) 2.158 2.551 ( -1.125 0.138 -2.985) 3.193 2.613 ( -1.261 0.214 -0.508) 1.376 2.688 ( -3.356 -0.447 0.934) 3.512 2.852 ( 3.154 -5.095 -4.492) 7.489 2.883 ( 3.312 -1.623 -0.143) 3.691 2.990 ( 3.791 1.818 6.259) 7.540 3.024 ( -0.359 -1.127 2.285) 2.573 3.048 ( 2.732 3.483 1.362) 4.631 3.160 ( 0.439 0.369 0.291) 0.643 3.268 ( -1.445 1.333 -2.466) 3.154 3.527 ( -10.020 4.490 -0.595) 10.996 3.642 ( -2.136 -3.737 1.093) 4.441 3.749 ( -12.421 0.631 7.597) 14.574 4.082 ( -0.925 -3.614 3.546) 5.147 4.145 ( 2.122 0.786 1.349) 2.634 4.354 ( -2.712 -2.313 3.582) 5.054 4.594 ( -11.596 0.454 -1.532) 11.706 4.755 ( -4.913 1.719 -14.124) 15.053 4.877 ( -3.033 -2.117 -5.675) 6.774 5.050 ( 7.019 0.670 1.680) 7.248 5.240 ( -4.888 1.429 0.895) 5.171 5.481 ( -20.303 -0.003 -5.335) 20.992 5.541 ( 5.497 3.977 -0.840) 6.836 6.071 ( -4.345 -2.359 3.929) 6.315 6.266 ( 9.156 -10.184 -5.915) 14.917 6.402 ( 5.314 8.855 2.016) 10.522 6.674 ( 6.449 -5.368 -1.122) 8.466 6.711 ( 9.076 -0.089 2.111) 9.319 7.255 ( -11.039 -6.707 -2.147) 13.094 7.280 ( 3.911 -6.330 -6.884) 10.137 7.525 ( 3.745 5.101 4.395) 7.704 7.614 ( 5.772 -3.643 0.786) 6.871 8.012 ( 8.055 -1.943 -2.815) 8.751 11.033 ( -0.058 0.179 -1.036) 1.053 11.069 ( -0.030 -0.518 1.000) 1.127 12.378 ( 9.615 -1.723 -0.335) 9.774 12.434 ( 0.311 1.100 -4.065) 4.223 12.897 ( 2.041 3.038 1.205) 3.853 13.038 ( 13.343 -11.718 4.192) 18.246 13.090 ( 0.153 1.590 1.348) 2.090 13.751 ( 3.663 -16.440 -3.494) 17.201 14.102 ( 0.099 4.279 -6.656) 7.913 14.232 ( 2.718 -2.710 7.810) 8.702 14.822 ( -2.250 8.336 1.142) 8.709 15.524 ( -27.591 22.945 6.845) 36.532 16.330 ( -1.683 0.994 1.119) 2.252 16.533 ( -2.384 -6.820 6.180) 9.508 16.827 ( 1.031 1.678 -2.617) 3.276 16.935 ( 3.000 2.896 5.946) 7.262 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 9.035 4.438 3.499) 10.657 0.707 ( 13.157 4.578 -4.337) 14.590 0.809 ( 0.327 -0.543 2.405) 2.487 0.877 ( -3.910 2.112 -5.710) 7.235 0.943 ( 0.865 1.329 1.212) 1.996 1.034 ( 2.992 1.604 -0.072) 3.395 1.074 ( 2.348 3.933 -1.185) 4.731 1.119 ( -0.150 1.287 0.263) 1.322 1.158 ( -4.138 -0.218 -2.434) 4.806 1.180 ( -2.993 2.657 2.778) 4.872 1.238 ( -0.257 -0.408 -0.507) 0.700 1.299 ( 1.554 -0.386 -0.618) 1.717 1.384 ( 4.370 4.079 0.054) 5.978 1.438 ( 0.329 4.225 -6.793) 8.006 1.506 ( 1.995 0.089 -1.325) 2.396 1.531 ( 0.631 2.225 3.226) 3.969 1.565 ( -1.804 -1.741 4.502) 5.154 1.600 ( 1.117 -1.310 1.427) 2.236 1.688 ( 2.156 -0.601 2.258) 3.179 1.710 ( -1.734 -0.890 -0.047) 1.950 1.717 ( 1.688 -1.581 2.525) 3.424 1.759 ( -5.055 0.609 4.800) 6.997 1.785 ( -0.336 1.016 -1.548) 1.881 1.872 ( 0.982 2.461 0.384) 2.677 1.886 ( -2.658 -1.115 0.929) 3.028 1.896 ( -0.341 1.404 -0.198) 1.458 2.015 ( -2.974 0.506 -0.080) 3.018 2.037 ( -0.664 1.339 2.037) 2.527 2.090 ( -3.357 -2.074 -1.710) 4.301 2.181 ( 3.993 -5.062 2.539) 6.929 2.203 ( -3.122 -2.045 -0.471) 3.761 2.231 ( -0.679 -1.212 -4.817) 5.013 2.307 ( -4.218 0.812 -0.938) 4.397 2.377 ( -1.692 0.435 -1.375) 2.223 2.472 ( -2.473 0.694 0.634) 2.646 2.541 ( -0.316 2.869 0.710) 2.973 2.620 ( -1.156 -3.292 0.885) 3.600 2.690 ( 4.891 1.944 -4.917) 7.203 2.888 ( 2.047 -2.527 -2.456) 4.076 2.925 ( -0.458 -2.530 0.585) 2.637 3.006 ( 1.006 0.132 -3.108) 3.270 3.054 ( 0.116 0.306 1.195) 1.239 3.098 ( 1.373 0.290 7.507) 7.637 3.202 ( 2.137 0.131 1.688) 2.727 3.238 ( -0.286 -1.017 -3.231) 3.400 3.353 ( -6.023 5.874 0.621) 8.436 3.579 ( -3.542 -3.462 2.267) 5.447 3.622 ( -2.541 -1.768 -0.075) 3.097 4.050 ( -2.549 -2.740 5.015) 6.257 4.205 ( -0.207 -0.144 5.236) 5.242 4.274 ( -3.135 -2.182 2.222) 4.419 4.408 ( -3.712 -1.366 -1.256) 4.150 4.639 ( -3.555 1.079 -6.003) 7.059 4.782 ( -2.503 1.054 -6.487) 7.033 4.980 ( -14.404 2.153 -19.540) 24.370 5.200 ( -4.836 -3.808 6.823) 9.189 5.292 ( 9.671 -1.468 5.808) 11.376 5.661 ( 4.333 5.513 2.001) 7.292 6.019 ( -1.337 -6.594 8.245) 10.641 6.157 ( -10.567 -1.447 -4.941) 11.755 6.394 ( -6.634 6.488 -4.644) 10.376 6.829 ( -0.608 -11.299 6.840) 13.222 6.863 ( 10.414 -3.502 -2.006) 11.168 7.127 ( 1.172 0.060 -4.066) 4.232 7.346 ( 2.454 -0.753 -2.093) 3.312 7.635 ( 5.308 8.683 3.142) 10.651 7.746 ( 4.939 -10.406 -0.554) 11.532 8.163 ( 5.825 1.328 -2.180) 6.360 11.034 ( 0.272 0.301 -1.029) 1.106 11.075 ( 0.300 -0.628 0.900) 1.137 12.421 ( -0.558 2.175 -1.454) 2.675 12.591 ( 8.833 -3.079 -0.260) 9.358 12.934 ( 1.005 3.055 0.368) 3.236 13.061 ( -0.986 2.734 0.130) 2.909 13.223 ( 4.168 -4.953 0.885) 6.534 13.835 ( 3.807 -13.637 -1.988) 14.298 14.118 ( 1.679 2.844 -3.062) 4.504 14.281 ( 1.263 -8.586 2.176) 8.947 14.776 ( -1.834 6.236 1.149) 6.601 15.137 ( -12.287 18.436 6.102) 22.980 16.305 ( -1.020 0.491 1.230) 1.672 16.477 ( -2.687 -5.148 1.107) 5.912 16.853 ( 1.527 2.376 -2.345) 3.670 16.987 ( 1.229 2.276 3.751) 4.556 ======================= Grid point 10 (8/56) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 0.000 8.239 0.000) 8.239 0.810 ( 0.000 1.695 0.000) 1.695 0.872 ( -0.000 -1.481 -0.000) 1.481 0.897 ( -0.000 0.724 -0.000) 0.724 0.966 ( -0.000 2.125 -0.000) 2.125 0.977 ( -0.000 -0.186 -0.000) 0.186 0.999 ( 0.000 1.791 0.000) 1.791 1.111 ( 0.000 2.461 0.000) 2.461 1.182 ( -0.000 -0.412 0.000) 0.412 1.183 ( 0.000 4.774 -0.000) 4.774 1.254 ( -0.000 -0.522 -0.000) 0.522 1.285 ( 0.000 0.871 -0.000) 0.871 1.401 ( -0.000 -1.749 -0.000) 1.749 1.412 ( 0.000 0.970 0.000) 0.970 1.536 ( -0.000 1.055 0.000) 1.055 1.556 ( -0.000 0.883 0.000) 0.883 1.603 ( 0.000 -1.338 -0.000) 1.338 1.619 ( -0.000 3.124 0.000) 3.124 1.657 ( 0.000 -1.443 -0.000) 1.443 1.715 ( -0.000 -0.794 -0.000) 0.794 1.737 ( -0.000 2.228 0.000) 2.228 1.746 ( 0.000 0.524 0.000) 0.524 1.756 ( -0.000 -3.861 -0.000) 3.861 1.846 ( 0.000 0.279 0.000) 0.279 1.895 ( 0.000 1.673 -0.000) 1.673 1.904 ( -0.000 0.428 0.000) 0.428 2.008 ( 0.000 0.568 0.000) 0.568 2.022 ( 0.000 -0.320 0.000) 0.320 2.056 ( -0.000 5.271 -0.000) 5.271 2.110 ( 0.000 -0.402 -0.000) 0.402 2.221 ( -0.000 0.953 -0.000) 0.953 2.224 ( 0.000 -1.607 0.000) 1.607 2.251 ( 0.000 -5.289 0.000) 5.289 2.379 ( 0.000 -0.967 0.000) 0.967 2.429 ( 0.000 2.784 0.000) 2.784 2.540 ( 0.000 3.792 0.000) 3.792 2.621 ( -0.000 -4.230 -0.000) 4.230 2.733 ( 0.000 0.706 0.000) 0.706 2.919 ( 0.000 -1.448 0.000) 1.448 2.947 ( 0.000 -5.212 -0.000) 5.212 2.995 ( -0.000 -3.111 0.000) 3.111 3.040 ( 0.000 1.721 -0.000) 1.721 3.121 ( 0.000 1.052 0.000) 1.052 3.205 ( 0.000 -0.604 -0.000) 0.604 3.259 ( 0.000 1.426 -0.000) 1.426 3.288 ( -0.000 5.181 0.000) 5.181 3.545 ( 0.000 -2.909 0.000) 2.909 3.595 ( 0.000 -2.435 -0.000) 2.435 4.032 ( 0.000 1.337 0.000) 1.337 4.124 ( 0.000 -4.139 0.000) 4.139 4.323 ( -0.000 -2.664 -0.000) 2.664 4.376 ( 0.000 -4.733 0.000) 4.733 4.602 ( 0.000 -0.503 0.000) 0.503 4.747 ( -0.000 2.578 -0.000) 2.578 4.776 ( 0.000 5.959 0.000) 5.959 5.151 ( 0.000 -7.247 -0.000) 7.247 5.446 ( 0.000 2.091 -0.000) 2.091 5.717 ( 0.000 2.854 0.000) 2.854 5.923 ( -0.000 -2.916 0.000) 2.916 6.154 ( 0.000 3.319 0.000) 3.319 6.214 ( -0.000 -3.162 -0.000) 3.162 6.820 ( 0.000 -12.824 0.000) 12.824 6.986 ( 0.000 -5.432 -0.000) 5.432 7.153 ( -0.000 3.838 0.000) 3.838 7.371 ( 0.000 2.402 -0.000) 2.402 7.703 ( 0.000 9.625 -0.000) 9.625 7.797 ( -0.000 -11.910 -0.000) 11.910 8.224 ( 0.000 2.570 -0.000) 2.570 11.037 ( 0.000 0.338 -0.000) 0.338 11.080 ( 0.000 -0.497 -0.000) 0.497 12.413 ( 0.000 2.368 0.000) 2.368 12.689 ( 0.000 -3.746 0.000) 3.746 12.941 ( 0.000 2.673 -0.000) 2.673 13.053 ( 0.000 3.249 -0.000) 3.249 13.264 ( -0.000 -2.575 -0.000) 2.575 13.875 ( 0.000 -10.026 0.000) 10.026 14.136 ( 0.000 2.516 -0.000) 2.516 14.296 ( 0.000 -10.750 0.000) 10.750 14.760 ( 0.000 5.581 0.000) 5.581 15.011 ( 0.000 14.050 -0.000) 14.050 16.295 ( 0.000 0.443 -0.000) 0.443 16.447 ( 0.000 -4.642 0.000) 4.642 16.869 ( 0.000 3.047 0.000) 3.047 17.002 ( 0.000 1.670 -0.000) 1.670 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.000 12.405 0.000) 12.405 0.568 ( 0.000 13.012 0.000) 13.012 0.909 ( 0.000 5.267 0.000) 5.267 0.982 ( 0.000 16.368 0.000) 16.368 0.990 ( 0.000 -0.133 0.000) 0.133 1.068 ( 0.000 -3.678 0.000) 3.678 1.089 ( 0.000 -1.028 0.000) 1.028 1.092 ( 0.000 -0.443 0.000) 0.443 1.195 ( 0.000 -4.465 0.000) 4.465 1.226 ( 0.000 1.993 0.000) 1.993 1.242 ( 0.000 3.649 0.000) 3.649 1.332 ( 0.000 2.481 0.000) 2.481 1.370 ( 0.000 3.108 0.000) 3.108 1.412 ( 0.000 2.812 0.000) 2.812 1.441 ( 0.000 2.479 0.000) 2.479 1.469 ( 0.000 -0.488 0.000) 0.488 1.552 ( 0.000 0.252 0.000) 0.252 1.583 ( 0.000 -2.711 0.000) 2.711 1.691 ( 0.000 -2.576 0.000) 2.576 1.734 ( 0.000 1.957 0.000) 1.957 1.752 ( 0.000 0.113 0.000) 0.113 1.789 ( 0.000 3.949 0.000) 3.949 1.879 ( 0.000 2.779 0.000) 2.779 1.907 ( 0.000 -5.092 0.000) 5.092 1.924 ( 0.000 2.996 0.000) 2.996 1.945 ( 0.000 0.748 0.000) 0.748 2.026 ( 0.000 -1.541 0.000) 1.541 2.067 ( 0.000 -2.410 0.000) 2.410 2.098 ( 0.000 -4.484 0.000) 4.484 2.186 ( 0.000 -0.362 0.000) 0.362 2.240 ( 0.000 6.496 0.000) 6.496 2.305 ( 0.000 -1.921 0.000) 1.921 2.337 ( 0.000 -7.203 0.000) 7.203 2.397 ( 0.000 -1.741 0.000) 1.741 2.458 ( 0.000 -0.868 0.000) 0.868 2.556 ( 0.000 -0.467 0.000) 0.467 2.698 ( 0.000 -0.209 0.000) 0.209 2.711 ( 0.000 3.026 0.000) 3.026 2.777 ( 0.000 0.191 0.000) 0.191 2.805 ( 0.000 1.265 0.000) 1.265 2.982 ( 0.000 2.372 0.000) 2.372 3.032 ( 0.000 3.292 0.000) 3.292 3.057 ( 0.000 0.074 0.000) 0.074 3.174 ( 0.000 0.128 0.000) 0.128 3.348 ( 0.000 2.526 0.000) 2.526 3.542 ( 0.000 -8.605 0.000) 8.605 3.565 ( 0.000 -4.943 0.000) 4.943 3.808 ( 0.000 -9.562 0.000) 9.562 4.033 ( 0.000 -4.051 0.000) 4.051 4.184 ( 0.000 -2.132 0.000) 2.132 4.360 ( 0.000 -4.575 0.000) 4.575 4.523 ( 0.000 -7.069 0.000) 7.069 4.831 ( 0.000 9.108 0.000) 9.108 4.890 ( 0.000 -0.184 0.000) 0.184 5.202 ( 0.000 8.687 0.000) 8.687 5.323 ( 0.000 -2.281 0.000) 2.281 5.596 ( 0.000 8.128 0.000) 8.128 5.808 ( 0.000 -0.025 0.000) 0.025 5.934 ( 0.000 -2.063 0.000) 2.063 6.156 ( 0.000 -5.762 0.000) 5.762 6.382 ( 0.000 5.777 0.000) 5.777 6.402 ( 0.000 3.697 0.000) 3.697 6.800 ( 0.000 3.276 0.000) 3.276 7.120 ( 0.000 -5.814 0.000) 5.814 7.286 ( 0.000 -2.171 0.000) 2.171 7.533 ( 0.000 -0.677 0.000) 0.677 7.569 ( 0.000 1.497 0.000) 1.497 7.736 ( 0.000 -10.986 0.000) 10.986 11.040 ( 0.000 0.330 0.000) 0.330 11.069 ( 0.000 -0.392 0.000) 0.392 12.256 ( 0.000 -0.192 0.000) 0.192 12.373 ( 0.000 -2.870 0.000) 2.870 12.787 ( 0.000 5.031 0.000) 5.031 12.955 ( 0.000 4.571 0.000) 4.571 13.126 ( 0.000 0.576 0.000) 0.576 13.437 ( 0.000 -15.053 0.000) 15.053 14.183 ( 0.000 2.944 0.000) 2.944 14.256 ( 0.000 3.454 0.000) 3.454 15.077 ( 0.000 13.950 0.000) 13.950 15.876 ( 0.000 -11.000 0.000) 11.000 16.380 ( 0.000 -0.962 0.000) 0.962 16.444 ( 0.000 -2.192 0.000) 2.192 16.888 ( 0.000 3.095 0.000) 3.095 16.911 ( 0.000 2.125 0.000) 2.125 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 4.065 10.619 -2.335) 11.607 0.627 ( 6.703 10.397 0.453) 12.379 0.902 ( -2.687 1.371 -0.291) 3.031 0.966 ( -1.573 3.659 -0.177) 3.987 0.971 ( -0.099 2.259 -1.540) 2.736 1.059 ( 0.784 5.823 -0.447) 5.892 1.100 ( 1.241 -3.067 -0.946) 3.442 1.147 ( 2.551 2.165 0.000) 3.345 1.179 ( -3.888 1.347 0.263) 4.123 1.201 ( 2.747 -1.960 1.343) 3.632 1.264 ( -0.436 1.139 -2.782) 3.038 1.278 ( -1.391 3.104 1.369) 3.667 1.387 ( 0.698 2.147 -4.487) 5.023 1.432 ( 2.891 -0.561 -0.307) 2.961 1.491 ( 3.669 0.776 0.464) 3.779 1.569 ( 4.807 2.723 6.225) 8.323 1.577 ( 0.981 1.847 -0.139) 2.096 1.618 ( 2.473 0.093 3.558) 4.334 1.678 ( -2.963 -0.808 -0.051) 3.072 1.702 ( -1.089 -0.503 1.535) 1.948 1.713 ( -1.545 2.718 -1.179) 3.342 1.812 ( -0.146 1.483 1.276) 1.962 1.857 ( -1.963 2.615 -1.204) 3.484 1.894 ( 0.729 0.970 1.853) 2.215 1.928 ( -1.111 1.089 1.982) 2.520 1.953 ( -5.198 -2.603 1.999) 6.148 1.988 ( 1.980 -4.095 2.098) 5.009 2.031 ( -1.449 -0.539 -1.152) 1.928 2.058 ( -1.000 -2.520 -0.631) 2.783 2.133 ( -3.655 1.514 -0.938) 4.066 2.219 ( -2.853 0.425 -2.321) 3.703 2.256 ( -2.895 -1.008 1.253) 3.312 2.396 ( 0.755 -0.573 -2.353) 2.537 2.424 ( -2.138 -1.203 -1.083) 2.681 2.440 ( 3.062 -3.394 -3.103) 5.525 2.543 ( 0.915 -0.923 -2.387) 2.718 2.666 ( -1.366 4.196 -0.982) 4.521 2.733 ( -2.542 3.750 2.563) 5.206 2.748 ( 3.005 -3.498 -2.678) 5.332 2.866 ( 2.510 -1.360 -0.887) 2.989 3.011 ( -0.412 -0.181 2.470) 2.511 3.014 ( 2.528 1.549 3.254) 4.402 3.110 ( 2.810 2.718 2.234) 4.502 3.168 ( -0.685 0.344 0.001) 0.766 3.311 ( -3.968 2.745 -2.138) 5.277 3.485 ( -4.833 -7.434 0.105) 8.868 3.554 ( -1.043 -4.630 0.458) 4.768 3.688 ( -8.765 -5.472 1.583) 10.453 3.998 ( -1.991 -3.564 1.761) 4.446 4.138 ( 0.266 -3.208 0.785) 3.313 4.290 ( -4.121 -2.292 2.767) 5.468 4.530 ( -6.252 -6.926 0.230) 9.333 4.839 ( -2.612 7.085 -1.208) 7.647 4.923 ( 0.199 7.083 -6.403) 9.551 5.112 ( 0.458 2.281 -4.874) 5.400 5.282 ( -5.817 2.681 -1.487) 6.575 5.465 ( -16.547 0.275 -5.000) 17.288 5.599 ( -4.343 2.432 4.609) 6.784 5.988 ( -2.968 -5.614 8.541) 10.644 6.112 ( 7.559 -7.052 -2.729) 10.692 6.522 ( 5.104 1.795 0.996) 5.501 6.530 ( -2.361 -6.926 5.583) 9.204 6.804 ( 5.116 6.965 -6.873) 11.042 7.127 ( -3.657 -6.021 -10.053) 12.275 7.248 ( 4.542 3.580 1.105) 5.887 7.578 ( 4.283 0.411 2.198) 4.831 7.623 ( 5.019 2.694 4.490) 7.253 7.883 ( 10.957 -9.634 0.647) 14.605 11.038 ( 0.029 0.379 -0.679) 0.778 11.062 ( -0.317 -0.286 0.706) 0.825 12.349 ( 8.263 -0.882 -0.299) 8.316 12.442 ( 3.546 -0.832 -1.862) 4.090 12.889 ( 8.977 -2.620 4.167) 10.238 12.988 ( 2.716 5.602 0.012) 6.225 13.108 ( -1.726 -0.948 0.856) 2.147 13.467 ( 3.091 -13.437 -1.855) 13.912 14.173 ( -0.120 3.596 -2.898) 4.620 14.256 ( -0.198 2.242 0.037) 2.251 15.029 ( -4.307 12.696 0.980) 13.442 15.673 ( -16.457 -2.840 1.387) 16.757 16.347 ( -1.857 0.638 0.022) 1.964 16.434 ( -1.693 -3.465 1.880) 4.290 16.872 ( 0.645 3.050 -0.798) 3.218 16.975 ( 3.033 1.095 2.480) 4.068 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 9.641 5.132 2.269) 11.155 0.814 ( 9.813 6.054 0.515) 11.542 0.839 ( -1.069 3.334 -2.751) 4.452 0.934 ( -2.871 2.732 -3.827) 5.509 0.977 ( 1.412 0.562 0.389) 1.569 1.063 ( -4.575 1.308 0.567) 4.791 1.104 ( 2.696 -1.415 -0.371) 3.067 1.151 ( 0.842 3.206 0.728) 3.393 1.162 ( -2.645 1.886 -4.657) 5.678 1.215 ( -0.326 -0.307 3.940) 3.965 1.269 ( 1.911 2.648 -1.939) 3.797 1.290 ( 2.163 1.078 -0.041) 2.417 1.433 ( -1.487 -3.094 0.427) 3.460 1.460 ( 2.148 1.590 0.466) 2.713 1.488 ( -4.435 0.065 -5.470) 7.042 1.556 ( 1.631 0.043 -0.216) 1.646 1.590 ( -2.590 3.120 2.566) 4.798 1.649 ( 1.842 3.280 1.228) 3.957 1.673 ( -0.688 -1.062 0.773) 1.483 1.693 ( -0.358 -0.003 1.972) 2.004 1.724 ( 1.355 0.351 4.174) 4.402 1.768 ( -3.420 1.948 2.867) 4.870 1.803 ( -3.918 1.054 0.462) 4.083 1.886 ( 0.480 -1.522 -0.122) 1.600 1.903 ( 0.678 1.981 1.086) 2.359 1.945 ( 0.541 2.582 1.489) 3.029 1.983 ( -0.126 -3.403 -1.654) 3.786 2.038 ( -2.902 1.140 -0.506) 3.159 2.079 ( 2.023 -3.628 0.896) 4.250 2.099 ( 3.770 3.703 2.132) 5.698 2.170 ( -0.597 -1.526 -1.651) 2.327 2.212 ( -2.013 -0.834 -0.494) 2.234 2.322 ( -2.893 -0.262 -2.513) 3.841 2.397 ( -1.010 1.836 -0.804) 2.244 2.493 ( -3.401 1.671 -0.370) 3.807 2.527 ( 2.217 -2.284 -1.090) 3.365 2.657 ( -1.841 3.640 -1.280) 4.275 2.727 ( 1.937 0.515 -0.279) 2.024 2.793 ( 1.804 -4.884 -1.804) 5.510 2.886 ( 0.182 -1.697 -2.030) 2.652 3.002 ( -0.589 0.228 -0.221) 0.669 3.077 ( -1.780 -0.940 2.410) 3.140 3.113 ( 2.387 3.056 3.697) 5.358 3.201 ( 1.999 -0.295 1.661) 2.616 3.223 ( -1.422 0.269 -2.511) 2.899 3.390 ( -4.083 -2.417 0.479) 4.769 3.516 ( -2.352 -2.758 0.474) 3.655 3.567 ( -3.185 -3.998 -0.300) 5.120 3.985 ( -0.259 -3.776 3.738) 5.320 4.115 ( -4.716 -8.640 3.375) 10.406 4.250 ( 0.874 0.424 0.509) 1.097 4.381 ( -5.579 -2.459 -0.723) 6.140 4.703 ( -5.748 5.806 -5.151) 9.659 4.832 ( -4.370 5.080 -2.518) 7.158 5.003 ( -14.054 1.623 -11.933) 18.508 5.193 ( -4.927 -1.602 6.144) 8.037 5.305 ( 8.506 5.453 0.881) 10.142 5.675 ( 7.277 -4.240 0.210) 8.425 5.934 ( -4.699 -1.971 11.856) 12.905 6.152 ( -4.414 1.255 -6.804) 8.207 6.434 ( -0.564 -16.729 1.580) 16.813 6.476 ( -10.160 -5.941 -0.799) 11.797 6.854 ( 1.236 0.544 -4.006) 4.228 7.122 ( 3.453 -1.601 -1.152) 3.976 7.417 ( 8.808 7.490 -1.918) 11.720 7.663 ( 2.792 -0.155 0.758) 2.897 7.771 ( 6.737 5.623 3.367) 9.399 8.098 ( 8.216 -6.652 0.185) 10.573 11.041 ( 0.319 0.458 -0.671) 0.873 11.065 ( 0.325 -0.426 0.687) 0.872 12.472 ( 0.355 2.895 -1.270) 3.181 12.534 ( 7.779 -2.214 -0.172) 8.090 13.020 ( -0.913 3.055 1.218) 3.414 13.070 ( 4.218 -1.480 -2.491) 5.117 13.107 ( 4.387 -4.460 3.728) 7.282 13.550 ( 4.463 -13.210 -0.632) 13.957 14.181 ( 1.103 3.478 -2.002) 4.162 14.245 ( -0.572 1.144 -0.947) 1.592 14.935 ( -3.815 9.886 1.015) 10.645 15.336 ( -13.958 2.979 2.293) 14.456 16.317 ( -1.042 0.696 0.395) 1.314 16.393 ( -1.947 -3.168 0.403) 3.740 16.904 ( 2.014 3.004 -1.075) 3.773 17.021 ( 0.956 0.841 2.103) 2.458 ======================= Grid point 17 (12/56) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 0.000 -2.292 0.000) 2.292 0.815 ( -0.000 9.357 -0.000) 9.357 0.887 ( 0.000 3.919 0.000) 3.919 0.955 ( -0.000 -1.407 -0.000) 1.407 0.969 ( 0.000 5.062 0.000) 5.062 1.018 ( 0.000 3.012 -0.000) 3.012 1.069 ( -0.000 3.446 0.000) 3.446 1.152 ( 0.000 2.983 -0.000) 2.983 1.155 ( -0.000 -2.373 0.000) 2.373 1.270 ( 0.000 4.491 0.000) 4.491 1.275 ( 0.000 -0.389 -0.000) 0.389 1.284 ( -0.000 1.786 0.000) 1.786 1.381 ( -0.000 -0.286 -0.000) 0.286 1.413 ( 0.000 -1.392 0.000) 1.392 1.565 ( -0.000 0.716 -0.000) 0.716 1.570 ( 0.000 -4.976 -0.000) 4.976 1.585 ( 0.000 -0.878 0.000) 0.878 1.595 ( 0.000 2.663 -0.000) 2.663 1.662 ( 0.000 -2.498 0.000) 2.498 1.694 ( -0.000 -0.199 -0.000) 0.199 1.712 ( 0.000 0.907 -0.000) 0.907 1.758 ( 0.000 3.682 0.000) 3.682 1.768 ( 0.000 -0.766 -0.000) 0.766 1.873 ( -0.000 1.599 -0.000) 1.599 1.934 ( 0.000 2.168 0.000) 2.168 1.950 ( -0.000 3.965 0.000) 3.965 2.006 ( 0.000 -1.265 0.000) 1.265 2.045 ( -0.000 2.123 -0.000) 2.123 2.070 ( -0.000 -5.371 -0.000) 5.371 2.111 ( 0.000 0.945 0.000) 0.945 2.164 ( 0.000 -0.673 -0.000) 0.673 2.192 ( -0.000 -1.370 0.000) 1.370 2.329 ( -0.000 8.130 -0.000) 8.130 2.371 ( 0.000 0.777 0.000) 0.777 2.433 ( 0.000 -0.754 0.000) 0.754 2.555 ( 0.000 -2.744 -0.000) 2.744 2.629 ( -0.000 3.940 0.000) 3.940 2.732 ( 0.000 -2.327 -0.000) 2.327 2.843 ( 0.000 -2.793 0.000) 2.793 2.871 ( -0.000 -3.847 0.000) 3.847 2.971 ( 0.000 1.222 0.000) 1.222 3.075 ( 0.000 1.431 -0.000) 1.431 3.150 ( -0.000 1.838 0.000) 1.838 3.194 ( 0.000 -0.206 -0.000) 0.206 3.258 ( 0.000 -1.765 -0.000) 1.765 3.333 ( -0.000 -0.899 0.000) 0.899 3.489 ( 0.000 -2.526 0.000) 2.526 3.532 ( -0.000 -3.937 -0.000) 3.937 4.010 ( 0.000 -6.856 0.000) 6.856 4.013 ( -0.000 -4.502 -0.000) 4.502 4.278 ( -0.000 -1.845 -0.000) 1.845 4.322 ( 0.000 -2.052 0.000) 2.052 4.663 ( -0.000 6.707 -0.000) 6.707 4.727 ( 0.000 0.110 0.000) 0.110 4.882 ( -0.000 4.812 0.000) 4.812 5.107 ( 0.000 -0.723 -0.000) 0.723 5.471 ( 0.000 3.172 -0.000) 3.172 5.769 ( 0.000 1.195 -0.000) 1.195 5.818 ( -0.000 -7.339 0.000) 7.339 6.195 ( 0.000 0.724 0.000) 0.724 6.219 ( -0.000 2.714 -0.000) 2.714 6.466 ( 0.000 -22.236 -0.000) 22.236 6.863 ( 0.000 -3.738 -0.000) 3.738 7.166 ( -0.000 -3.504 0.000) 3.504 7.522 ( 0.000 9.882 0.000) 9.882 7.688 ( -0.000 -0.028 0.000) 0.028 7.853 ( 0.000 6.386 -0.000) 6.386 8.188 ( 0.000 -5.145 -0.000) 5.145 11.045 ( 0.000 0.497 -0.000) 0.497 11.070 ( 0.000 -0.459 -0.000) 0.459 12.473 ( 0.000 3.709 -0.000) 3.709 12.621 ( 0.000 -2.724 0.000) 2.724 13.001 ( 0.000 0.901 0.000) 0.901 13.104 ( 0.000 4.258 -0.000) 4.258 13.176 ( 0.000 -6.789 0.000) 6.789 13.606 ( 0.000 -14.240 0.000) 14.240 14.194 ( -0.000 3.162 -0.000) 3.162 14.237 ( 0.000 1.020 0.000) 1.020 14.899 ( 0.000 8.362 0.000) 8.362 15.176 ( 0.000 3.390 -0.000) 3.390 16.306 ( 0.000 0.693 -0.000) 0.693 16.370 ( 0.000 -2.907 0.000) 2.907 16.929 ( 0.000 3.110 0.000) 3.110 17.030 ( -0.000 0.848 -0.000) 0.848 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 12.365 0.000) 12.365 0.791 ( 0.000 10.509 0.000) 10.509 0.891 ( 0.000 -9.199 0.000) 9.199 0.973 ( 0.000 -8.062 0.000) 8.062 1.009 ( 0.000 1.730 0.000) 1.730 1.020 ( 0.000 0.525 0.000) 0.525 1.087 ( 0.000 0.023 0.000) 0.023 1.100 ( 0.000 -1.241 0.000) 1.241 1.210 ( 0.000 4.147 0.000) 4.147 1.269 ( 0.000 -1.306 0.000) 1.306 1.328 ( 0.000 4.831 0.000) 4.831 1.352 ( 0.000 0.164 0.000) 0.164 1.413 ( 0.000 2.547 0.000) 2.547 1.433 ( 0.000 1.115 0.000) 1.115 1.491 ( 0.000 0.029 0.000) 0.029 1.517 ( 0.000 0.918 0.000) 0.918 1.552 ( 0.000 0.859 0.000) 0.859 1.616 ( 0.000 -3.336 0.000) 3.336 1.653 ( 0.000 8.606 0.000) 8.606 1.723 ( 0.000 -0.910 0.000) 0.910 1.768 ( 0.000 -0.623 0.000) 0.623 1.795 ( 0.000 -2.770 0.000) 2.770 1.868 ( 0.000 1.277 0.000) 1.277 1.897 ( 0.000 -0.139 0.000) 0.139 1.941 ( 0.000 -3.001 0.000) 3.001 1.969 ( 0.000 2.752 0.000) 2.752 1.981 ( 0.000 -1.731 0.000) 1.731 2.028 ( 0.000 -2.375 0.000) 2.375 2.090 ( 0.000 1.511 0.000) 1.511 2.117 ( 0.000 -2.723 0.000) 2.723 2.232 ( 0.000 -2.532 0.000) 2.532 2.257 ( 0.000 -3.380 0.000) 3.380 2.343 ( 0.000 3.660 0.000) 3.660 2.412 ( 0.000 -3.423 0.000) 3.423 2.436 ( 0.000 5.928 0.000) 5.928 2.534 ( 0.000 -3.215 0.000) 3.215 2.711 ( 0.000 1.474 0.000) 1.474 2.739 ( 0.000 -0.604 0.000) 0.604 2.812 ( 0.000 2.670 0.000) 2.670 2.838 ( 0.000 0.616 0.000) 0.616 3.029 ( 0.000 2.556 0.000) 2.556 3.056 ( 0.000 -0.175 0.000) 0.175 3.110 ( 0.000 4.675 0.000) 4.675 3.170 ( 0.000 -0.841 0.000) 0.841 3.338 ( 0.000 -2.933 0.000) 2.933 3.375 ( 0.000 -7.174 0.000) 7.174 3.542 ( 0.000 4.171 0.000) 4.171 3.661 ( 0.000 -6.931 0.000) 6.931 4.015 ( 0.000 2.223 0.000) 2.223 4.099 ( 0.000 -5.825 0.000) 5.825 4.324 ( 0.000 1.195 0.000) 1.195 4.394 ( 0.000 -5.750 0.000) 5.750 4.916 ( 0.000 2.725 0.000) 2.725 4.954 ( 0.000 0.968 0.000) 0.968 5.316 ( 0.000 2.346 0.000) 2.346 5.324 ( 0.000 3.264 0.000) 3.264 5.753 ( 0.000 7.150 0.000) 7.150 5.840 ( 0.000 1.842 0.000) 1.842 5.874 ( 0.000 -2.001 0.000) 2.001 5.991 ( 0.000 -9.448 0.000) 9.448 6.452 ( 0.000 1.339 0.000) 1.339 6.455 ( 0.000 1.586 0.000) 1.586 6.876 ( 0.000 4.712 0.000) 4.712 6.985 ( 0.000 -6.910 0.000) 6.910 7.336 ( 0.000 6.367 0.000) 6.367 7.496 ( 0.000 -8.309 0.000) 8.309 7.569 ( 0.000 -1.160 0.000) 1.160 7.580 ( 0.000 -0.351 0.000) 0.351 11.049 ( 0.000 0.557 0.000) 0.557 11.060 ( 0.000 -0.580 0.000) 0.580 12.267 ( 0.000 1.514 0.000) 1.514 12.312 ( 0.000 -3.053 0.000) 3.053 12.932 ( 0.000 9.858 0.000) 9.858 13.039 ( 0.000 3.803 0.000) 3.803 13.109 ( 0.000 -2.219 0.000) 2.219 13.163 ( 0.000 -13.087 0.000) 13.087 14.245 ( 0.000 3.135 0.000) 3.135 14.283 ( 0.000 -0.478 0.000) 0.478 15.356 ( 0.000 14.965 0.000) 14.965 15.634 ( 0.000 -13.980 0.000) 13.980 16.379 ( 0.000 0.775 0.000) 0.775 16.405 ( 0.000 -1.831 0.000) 1.831 16.932 ( 0.000 1.343 0.000) 1.343 16.938 ( 0.000 0.631 0.000) 0.631 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 1.347 11.308 -3.058) 11.791 0.799 ( 2.744 5.951 -0.181) 6.555 0.886 ( -0.961 -3.591 -1.006) 3.851 0.947 ( -2.286 -5.561 -0.995) 6.095 0.996 ( -0.950 1.312 -0.368) 1.661 1.022 ( 0.283 -1.822 -0.096) 1.847 1.092 ( 1.981 0.590 1.007) 2.300 1.128 ( 2.125 -2.702 0.310) 3.451 1.225 ( 0.584 3.668 1.133) 3.883 1.273 ( -0.073 -0.743 3.278) 3.362 1.293 ( -2.224 5.209 -1.912) 5.978 1.331 ( -1.719 0.741 -2.074) 2.794 1.428 ( -2.582 4.190 -3.286) 5.918 1.446 ( 3.262 2.294 -4.368) 5.914 1.491 ( 2.336 -1.198 -2.305) 3.493 1.533 ( -0.567 -5.433 -0.599) 5.496 1.573 ( 2.904 0.132 3.421) 4.489 1.606 ( 0.557 -4.098 1.627) 4.444 1.676 ( 1.624 2.499 4.257) 5.196 1.742 ( -1.774 -2.190 5.158) 5.878 1.767 ( -0.016 4.667 -0.257) 4.674 1.821 ( 0.423 0.148 2.881) 2.916 1.886 ( -1.076 -0.008 1.789) 2.087 1.890 ( 1.185 -0.845 1.949) 2.432 1.919 ( -1.963 3.109 3.198) 4.873 1.957 ( -0.691 0.875 0.419) 1.192 1.982 ( -1.976 -1.545 -0.700) 2.604 2.010 ( -0.366 0.379 -3.036) 3.082 2.087 ( 3.109 5.609 -0.927) 6.480 2.134 ( -2.709 1.267 -0.252) 3.001 2.197 ( -2.116 -3.926 1.528) 4.714 2.264 ( 5.221 -7.966 2.130) 9.760 2.318 ( -3.061 3.733 -3.014) 5.692 2.390 ( -2.393 -1.543 -4.697) 5.493 2.454 ( 0.287 1.970 -2.674) 3.334 2.508 ( 1.307 -2.670 -3.448) 4.552 2.705 ( -2.068 1.134 -0.502) 2.412 2.735 ( -0.263 -0.905 -1.600) 1.857 2.813 ( -1.774 4.166 3.075) 5.474 2.850 ( 1.825 -0.138 1.166) 2.171 3.015 ( -1.358 0.895 1.182) 2.011 3.038 ( 0.299 -0.107 2.270) 2.292 3.160 ( 2.443 2.600 0.842) 3.666 3.180 ( 0.978 0.700 0.189) 1.217 3.335 ( -3.775 -2.190 -1.036) 4.486 3.337 ( -0.873 -4.782 -0.233) 4.867 3.495 ( -2.759 0.962 0.222) 2.930 3.579 ( -6.057 -5.833 -0.200) 8.411 3.979 ( -2.720 1.742 1.158) 3.431 4.048 ( -2.935 -4.930 1.802) 6.014 4.301 ( -1.680 2.930 0.489) 3.412 4.392 ( -2.262 -6.498 0.436) 6.894 4.946 ( 0.297 5.279 2.109) 5.692 5.048 ( 5.718 -3.602 -0.283) 6.764 5.145 ( -10.085 8.935 -11.803) 17.912 5.285 ( -5.435 -3.742 -6.372) 9.173 5.554 ( -15.277 8.050 -0.203) 17.269 5.642 ( -14.253 0.794 2.903) 14.568 5.899 ( 2.022 -2.811 9.631) 10.235 5.950 ( 5.285 -8.515 4.755) 11.092 6.455 ( -7.189 -0.468 0.507) 7.222 6.493 ( -2.834 -3.252 -0.247) 4.320 6.936 ( 5.215 6.101 -7.739) 11.150 7.032 ( 3.709 -4.415 -9.189) 10.848 7.379 ( 5.953 8.871 2.087) 10.885 7.537 ( 4.121 -5.902 1.541) 7.361 7.667 ( 7.964 1.854 4.576) 9.371 7.721 ( 11.598 -5.399 2.949) 13.128 11.047 ( -0.015 0.490 -0.210) 0.533 11.056 ( -0.189 -0.409 0.270) 0.526 12.354 ( 7.448 1.475 0.016) 7.593 12.400 ( 6.727 -2.945 -0.071) 7.343 12.923 ( 0.553 5.271 0.264) 5.307 13.042 ( -3.038 -5.812 -0.087) 6.559 13.105 ( 4.313 6.571 0.686) 7.890 13.249 ( 5.256 -9.166 -0.360) 10.572 14.239 ( -0.232 3.031 -1.565) 3.420 14.275 ( -0.599 -0.466 -0.970) 1.232 15.283 ( -6.586 13.502 0.827) 15.045 15.524 ( -9.843 -11.200 0.822) 14.933 16.361 ( -1.441 1.019 -0.159) 1.772 16.387 ( -1.531 -1.790 -0.080) 2.356 16.933 ( 0.957 2.924 0.195) 3.083 16.974 ( 2.094 -1.226 0.980) 2.617 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 3.637 6.837 0.415) 7.756 0.865 ( -0.459 -5.040 -0.729) 5.113 0.915 ( 4.317 3.789 -0.175) 5.747 0.932 ( 4.641 2.091 -3.503) 6.179 1.000 ( 1.883 0.899 0.722) 2.208 1.031 ( 0.707 -2.818 -0.468) 2.943 1.119 ( -0.802 1.974 -1.172) 2.432 1.163 ( 0.684 -2.380 0.578) 2.543 1.230 ( -0.230 3.506 -3.603) 5.032 1.234 ( -1.798 3.355 0.605) 3.854 1.291 ( 1.464 0.930 4.822) 5.124 1.339 ( 1.922 -0.342 2.093) 2.862 1.387 ( -0.695 -0.088 -1.719) 1.857 1.445 ( -3.543 -3.705 -2.902) 5.891 1.476 ( -0.967 2.295 -4.571) 5.205 1.547 ( 0.692 -3.333 -2.215) 4.062 1.611 ( -1.092 1.213 1.667) 2.333 1.658 ( 1.373 -3.414 2.674) 4.549 1.689 ( -1.799 1.353 3.172) 3.890 1.697 ( -2.908 0.752 6.275) 6.957 1.738 ( -2.225 4.042 0.807) 4.684 1.796 ( -3.158 -0.300 4.896) 5.834 1.856 ( 0.110 3.087 -0.827) 3.197 1.874 ( 0.786 2.374 -1.287) 2.813 1.905 ( -0.129 -1.838 -0.834) 2.023 1.940 ( -0.453 -3.169 -2.306) 3.945 1.967 ( 1.483 0.409 0.744) 1.709 2.008 ( 1.691 -3.685 -0.195) 4.059 2.102 ( -0.519 5.275 0.271) 5.307 2.169 ( -2.070 0.397 -0.456) 2.156 2.182 ( -1.543 0.262 0.648) 1.694 2.215 ( -3.216 2.568 0.711) 4.177 2.321 ( 3.743 2.659 -0.616) 4.632 2.421 ( 2.953 -2.475 -1.855) 4.276 2.470 ( 1.980 -0.163 -1.569) 2.532 2.514 ( -1.096 -1.750 -1.225) 2.400 2.665 ( -0.872 0.355 -2.251) 2.440 2.715 ( -1.209 -2.322 0.606) 2.687 2.781 ( -0.377 3.345 0.427) 3.393 2.854 ( -1.443 -2.619 1.316) 3.267 3.019 ( 0.800 1.476 0.499) 1.751 3.051 ( 1.021 -1.271 0.014) 1.630 3.188 ( 0.673 4.247 1.435) 4.533 3.208 ( 0.818 1.548 0.605) 1.852 3.245 ( -3.191 0.990 -1.339) 3.599 3.302 ( -2.295 -5.329 0.048) 5.803 3.464 ( -0.911 -2.283 0.228) 2.469 3.484 ( -2.453 -3.943 -0.180) 4.648 3.928 ( -2.566 -0.833 2.141) 3.445 3.973 ( -4.851 -5.251 2.813) 7.683 4.272 ( -1.026 1.948 -0.750) 2.326 4.323 ( -3.248 -3.201 -0.724) 4.617 4.837 ( -6.810 6.931 -4.243) 10.603 4.912 ( -5.782 0.575 -2.729) 6.419 5.065 ( -10.990 4.386 -5.942) 13.241 5.136 ( -4.620 -3.153 2.981) 6.338 5.442 ( 5.225 7.135 0.319) 8.850 5.564 ( 6.324 -6.008 2.466) 9.065 5.925 ( -4.031 1.663 9.628) 10.569 6.063 ( 2.044 -13.193 5.214) 14.332 6.238 ( -7.735 4.304 -5.859) 10.615 6.361 ( -6.813 -7.555 -5.748) 11.684 6.935 ( -2.881 6.528 -3.373) 7.892 7.055 ( -0.387 -5.305 -1.402) 5.501 7.567 ( 9.110 7.007 -0.451) 11.502 7.656 ( 5.475 -2.036 0.111) 5.843 7.863 ( 8.300 4.546 3.158) 9.976 7.964 ( 9.531 -6.441 2.027) 11.681 11.050 ( 0.312 0.447 -0.197) 0.579 11.058 ( 0.281 -0.359 0.281) 0.536 12.513 ( 3.453 0.939 0.042) 3.579 12.515 ( 6.360 0.123 -0.205) 6.365 12.975 ( 3.059 -2.057 0.444) 3.713 12.999 ( -0.139 -3.696 -0.751) 3.774 13.193 ( 3.306 7.554 0.650) 8.272 13.347 ( 3.741 -8.844 -0.065) 9.603 14.239 ( 0.432 2.327 -1.296) 2.699 14.262 ( -0.366 -0.007 -0.965) 1.032 15.130 ( -6.863 9.964 0.893) 12.132 15.292 ( -10.713 -6.408 1.053) 12.527 16.332 ( -1.092 0.912 -0.163) 1.432 16.353 ( -1.465 -1.375 -0.286) 2.030 16.964 ( 1.691 3.127 0.063) 3.556 17.013 ( 1.255 -1.663 0.933) 2.283 ======================= Grid point 24 (16/56) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.000 1.847 0.000) 1.847 0.848 ( -0.000 -3.589 -0.000) 3.589 0.973 ( -0.000 4.512 0.000) 4.512 1.011 ( 0.000 3.476 0.000) 3.476 1.048 ( 0.000 2.274 -0.000) 2.274 1.054 ( 0.000 -0.245 0.000) 0.245 1.106 ( -0.000 1.441 -0.000) 1.441 1.126 ( 0.000 0.077 0.000) 0.077 1.222 ( -0.000 2.365 -0.000) 2.365 1.229 ( 0.000 -1.430 0.000) 1.430 1.344 ( 0.000 1.148 -0.000) 1.148 1.345 ( -0.000 1.494 -0.000) 1.494 1.387 ( -0.000 0.024 0.000) 0.024 1.390 ( 0.000 2.348 -0.000) 2.348 1.453 ( -0.000 -3.066 -0.000) 3.066 1.519 ( 0.000 -5.496 0.000) 5.496 1.606 ( -0.000 1.277 -0.000) 1.277 1.621 ( 0.000 -0.289 0.000) 0.289 1.670 ( -0.000 3.945 0.000) 3.945 1.694 ( 0.000 -0.492 -0.000) 0.492 1.706 ( -0.000 -1.281 -0.000) 1.281 1.739 ( -0.000 -2.223 -0.000) 2.223 1.864 ( 0.000 5.300 0.000) 5.300 1.900 ( -0.000 1.173 0.000) 1.173 1.958 ( 0.000 0.096 0.000) 0.096 1.975 ( 0.000 -2.266 -0.000) 2.266 1.987 ( -0.000 0.459 -0.000) 0.459 2.027 ( 0.000 -3.071 -0.000) 3.071 2.051 ( 0.000 4.692 0.000) 4.692 2.123 ( 0.000 -0.802 -0.000) 0.802 2.156 ( 0.000 -0.568 -0.000) 0.568 2.161 ( 0.000 -1.836 -0.000) 1.836 2.418 ( -0.000 2.845 0.000) 2.845 2.424 ( 0.000 0.671 0.000) 0.671 2.482 ( -0.000 4.370 -0.000) 4.370 2.503 ( 0.000 -1.932 0.000) 1.932 2.670 ( -0.000 1.049 -0.000) 1.049 2.681 ( 0.000 -0.873 -0.000) 0.873 2.804 ( -0.000 -1.620 0.000) 1.620 2.830 ( 0.000 -1.655 -0.000) 1.655 3.029 ( 0.000 3.781 0.000) 3.781 3.073 ( 0.000 -1.143 -0.000) 1.143 3.181 ( -0.000 1.190 0.000) 1.190 3.210 ( 0.000 -1.960 -0.000) 1.960 3.219 ( 0.000 2.064 0.000) 2.064 3.277 ( -0.000 -3.760 0.000) 3.760 3.453 ( -0.000 -1.244 0.000) 1.244 3.463 ( 0.000 -2.628 -0.000) 2.628 3.901 ( -0.808 -4.044 -0.567) 4.163 3.901 ( 0.808 -3.939 0.567) 4.060 4.259 ( -0.000 0.041 0.000) 0.041 4.281 ( 0.000 -1.999 -0.000) 1.999 4.818 ( -0.000 6.947 -0.000) 6.947 4.824 ( 0.000 8.512 0.000) 8.512 4.936 ( -0.000 0.612 0.000) 0.612 5.028 ( 0.000 -7.226 -0.000) 7.226 5.603 ( -0.000 8.102 -0.000) 8.102 5.693 ( 0.000 -4.695 -0.000) 4.695 5.778 ( 0.000 3.417 0.000) 3.417 6.028 ( 0.000 -19.576 0.000) 19.576 6.237 ( -0.000 0.786 0.000) 0.786 6.246 ( 0.000 0.290 -0.000) 0.290 6.893 ( 0.000 6.056 0.000) 6.056 7.042 ( 0.000 -8.355 0.000) 8.355 7.674 ( 0.000 5.264 0.000) 5.264 7.714 ( 0.000 0.744 -0.000) 0.744 7.960 ( 0.000 5.388 0.000) 5.388 8.071 ( 0.000 -6.327 -0.000) 6.327 11.054 ( 0.000 0.461 -0.000) 0.461 11.062 ( 0.000 -0.396 -0.000) 0.396 12.543 ( 0.000 3.274 -0.000) 3.274 12.586 ( 0.000 -1.436 0.000) 1.436 12.983 ( 0.000 -0.444 0.000) 0.444 13.037 ( 0.000 -6.211 -0.000) 6.211 13.229 ( 0.000 7.792 0.000) 7.792 13.388 ( 0.000 -9.204 -0.000) 9.204 14.244 ( -0.000 1.862 -0.000) 1.862 14.258 ( 0.000 0.455 0.000) 0.455 15.054 ( 0.000 7.351 0.000) 7.351 15.164 ( 0.000 -3.832 -0.000) 3.832 16.320 ( 0.000 0.730 -0.000) 0.730 16.336 ( 0.000 -1.066 0.000) 1.066 16.986 ( 0.000 2.740 0.000) 2.740 17.026 ( -0.000 -1.297 -0.000) 1.297 ======================= Grid point 49 (17/56) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 4.159 0.000 14.019) 14.623 0.370 ( 2.932 0.000 17.352) 17.598 0.561 ( 2.703 0.000 22.880) 23.039 0.775 ( -3.363 0.000 1.461) 3.667 0.945 ( -1.630 0.000 -8.322) 8.481 1.023 ( 2.230 0.000 0.189) 2.238 1.093 ( 0.806 0.000 -2.162) 2.307 1.118 ( -4.795 0.000 2.110) 5.238 1.154 ( -0.600 0.000 1.104) 1.256 1.193 ( 1.302 0.000 2.295) 2.639 1.219 ( 0.857 0.000 -2.691) 2.824 1.262 ( 1.052 0.000 -1.652) 1.959 1.369 ( 5.171 0.000 1.865) 5.497 1.384 ( 6.217 0.000 -2.790) 6.814 1.422 ( -4.595 0.000 -3.439) 5.739 1.452 ( -6.696 0.000 4.852) 8.269 1.578 ( 3.077 0.000 -2.949) 4.262 1.602 ( 1.369 0.000 -3.068) 3.359 1.697 ( 1.821 0.000 -2.508) 3.099 1.709 ( 1.323 0.000 0.424) 1.389 1.723 ( -1.081 0.000 -0.179) 1.096 1.831 ( -4.262 0.000 -3.311) 5.397 1.847 ( 6.207 0.000 5.775) 8.478 1.891 ( -4.307 0.000 3.832) 5.765 1.896 ( 3.006 0.000 -1.969) 3.594 1.937 ( 1.970 0.000 -0.871) 2.154 1.982 ( -0.355 0.000 0.065) 0.361 2.041 ( 5.690 0.000 -9.112) 10.742 2.109 ( -1.798 0.000 1.451) 2.311 2.137 ( 1.001 0.000 -1.984) 2.222 2.223 ( -1.817 0.000 -4.221) 4.595 2.275 ( 2.455 0.000 -1.395) 2.823 2.419 ( -2.629 0.000 1.552) 3.053 2.477 ( -1.310 0.000 1.595) 2.064 2.498 ( 0.887 0.000 0.189) 0.907 2.512 ( -1.795 0.000 -1.287) 2.209 2.734 ( 3.322 0.000 2.511) 4.165 2.771 ( -8.966 0.000 -0.925) 9.013 2.843 ( 0.257 0.000 -0.423) 0.495 2.898 ( 0.679 0.000 -0.819) 1.063 2.982 ( 6.474 0.000 4.184) 7.708 2.989 ( 2.991 0.000 8.663) 9.164 3.129 ( -1.222 0.000 -0.111) 1.227 3.190 ( -1.898 0.000 -5.661) 5.971 3.308 ( 0.915 0.000 1.509) 1.765 3.529 ( 2.000 0.000 -3.247) 3.814 3.694 ( 6.118 0.000 -2.818) 6.735 3.713 ( -0.505 0.000 -0.195) 0.541 4.087 ( 3.148 0.000 4.483) 5.478 4.210 ( -0.879 0.000 3.103) 3.225 4.484 ( 2.732 0.000 7.659) 8.132 4.749 ( -5.094 0.000 -2.766) 5.796 4.786 ( 3.084 0.000 -6.990) 7.641 4.858 ( -2.240 0.000 -6.711) 7.075 5.238 ( 9.738 0.000 1.512) 9.854 5.291 ( -22.680 0.000 -0.362) 22.683 5.485 ( 1.394 0.000 10.366) 10.459 5.893 ( -5.555 0.000 1.551) 5.768 6.107 ( -18.850 0.000 -11.645) 22.157 6.111 ( 7.719 0.000 -5.020) 9.207 6.192 ( 12.994 0.000 6.052) 14.335 6.615 ( -6.965 0.000 -7.546) 10.269 6.789 ( -21.035 0.000 13.938) 25.234 7.358 ( 4.417 0.000 -8.190) 9.305 7.412 ( -1.070 0.000 8.675) 8.741 7.445 ( 2.273 0.000 -0.281) 2.290 7.588 ( 0.483 0.000 -0.226) 0.534 7.781 ( -4.789 0.000 -2.289) 5.308 11.040 ( -1.276 0.000 0.417) 1.343 11.068 ( 1.159 0.000 -0.654) 1.331 12.313 ( -0.659 0.000 3.453) 3.515 12.531 ( -8.916 0.000 -5.302) 10.373 12.892 ( -4.903 0.000 3.631) 6.101 13.038 ( 1.509 0.000 -2.415) 2.848 13.247 ( -1.427 0.000 0.505) 1.514 13.280 ( 17.834 0.000 -0.839) 17.854 14.081 ( -1.128 0.000 6.424) 6.522 14.482 ( -0.139 0.000 -11.052) 11.053 14.925 ( -1.691 0.000 9.531) 9.680 15.254 ( 20.575 0.000 -5.086) 21.194 16.385 ( 1.903 0.000 5.134) 5.476 16.654 ( 10.920 0.000 -5.492) 12.224 16.805 ( -4.147 0.000 1.160) 4.306 16.843 ( 10.113 0.000 0.055) 10.113 ======================= Grid point 50 (18/56) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 3.102 0.000 12.162) 12.551 0.464 ( 8.900 0.000 11.939) 14.891 0.758 ( 4.555 0.000 -6.018) 7.547 0.804 ( -6.919 0.000 -11.336) 13.281 0.933 ( 13.306 0.000 13.636) 19.052 0.979 ( -6.452 0.000 4.306) 7.757 1.066 ( -4.003 0.000 -0.335) 4.017 1.114 ( 1.018 0.000 -2.603) 2.795 1.131 ( 2.034 0.000 1.696) 2.648 1.203 ( 3.450 0.000 -0.030) 3.450 1.226 ( -1.322 0.000 1.373) 1.906 1.293 ( -4.222 0.000 -1.996) 4.670 1.306 ( -0.073 0.000 -0.578) 0.583 1.326 ( -5.261 0.000 -1.008) 5.357 1.461 ( 3.242 0.000 2.203) 3.920 1.513 ( 5.022 0.000 0.935) 5.108 1.627 ( 1.642 0.000 -4.017) 4.339 1.637 ( 2.961 0.000 -1.650) 3.389 1.692 ( -3.110 0.000 2.504) 3.993 1.696 ( -1.276 0.000 -1.287) 1.812 1.735 ( 0.094 0.000 1.254) 1.257 1.758 ( 3.627 0.000 -0.334) 3.643 1.847 ( -0.459 0.000 -0.192) 0.498 1.880 ( -0.290 0.000 0.311) 0.426 1.934 ( 0.757 0.000 -2.150) 2.280 1.979 ( -0.880 0.000 -5.531) 5.600 2.036 ( -0.044 0.000 -0.023) 0.050 2.063 ( -1.794 0.000 -1.151) 2.132 2.074 ( 1.647 0.000 -3.299) 3.687 2.170 ( 0.501 0.000 -0.023) 0.501 2.202 ( -0.457 0.000 -1.472) 1.542 2.340 ( -3.889 0.000 4.231) 5.747 2.380 ( -1.698 0.000 1.318) 2.149 2.381 ( 2.605 0.000 -2.949) 3.935 2.439 ( -3.542 0.000 -1.864) 4.003 2.485 ( -2.410 0.000 -1.825) 3.023 2.589 ( -6.716 0.000 -3.438) 7.544 2.724 ( -5.749 0.000 4.788) 7.482 2.890 ( 4.328 0.000 -1.711) 4.654 2.892 ( 0.703 0.000 -1.017) 1.236 3.081 ( 3.135 0.000 1.132) 3.333 3.084 ( 0.446 0.000 4.134) 4.158 3.146 ( 2.125 0.000 1.307) 2.495 3.155 ( 0.872 0.000 -3.084) 3.205 3.339 ( -12.689 0.000 2.912) 13.019 3.342 ( 0.460 0.000 3.567) 3.597 3.673 ( -2.643 0.000 -0.925) 2.800 3.711 ( -4.003 0.000 -6.013) 7.224 4.194 ( 4.250 0.000 7.258) 8.410 4.215 ( 1.470 0.000 0.627) 1.598 4.494 ( -12.322 0.000 -4.682) 13.182 4.516 ( -1.760 0.000 9.069) 9.239 4.690 ( -8.939 0.000 -3.342) 9.543 4.773 ( -5.985 0.000 -7.468) 9.570 4.969 ( -7.810 0.000 6.646) 10.255 5.392 ( -16.295 0.000 -0.290) 16.297 5.417 ( 5.951 0.000 8.535) 10.405 5.538 ( 1.709 0.000 7.404) 7.598 6.121 ( 6.958 0.000 -0.790) 7.003 6.359 ( -3.756 0.000 2.845) 4.712 6.385 ( 0.859 0.000 1.770) 1.967 6.432 ( 6.790 0.000 -11.676) 13.507 6.818 ( 12.639 0.000 4.763) 13.507 7.271 ( -11.882 0.000 -7.747) 14.184 7.457 ( 0.639 0.000 1.926) 2.029 7.526 ( 5.039 0.000 11.719) 12.757 7.635 ( 7.570 0.000 -5.141) 9.151 7.823 ( 7.607 0.000 -4.611) 8.895 11.011 ( -0.999 0.000 -0.641) 1.187 11.077 ( 0.271 0.000 -0.309) 0.411 12.443 ( 10.945 0.000 4.706) 11.913 12.505 ( 1.011 0.000 5.606) 5.696 12.862 ( 1.257 0.000 0.331) 1.299 13.041 ( -1.414 0.000 -1.600) 2.135 13.233 ( 0.832 0.000 -0.825) 1.172 13.579 ( 10.834 0.000 -14.004) 17.706 14.090 ( 0.652 0.000 6.455) 6.488 14.470 ( 0.967 0.000 -9.241) 9.291 14.851 ( -5.809 0.000 4.123) 7.124 15.211 ( -12.820 0.000 -0.631) 12.835 16.384 ( -2.618 0.000 3.277) 4.194 16.576 ( -6.181 0.000 -7.489) 9.711 16.777 ( 1.561 0.000 0.670) 1.699 17.080 ( 2.613 0.000 0.484) 2.657 ======================= Grid point 51 (19/56) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 14.850 0.000 -0.571) 14.861 0.600 ( -0.385 0.000 1.812) 1.853 0.719 ( 2.765 0.000 -3.435) 4.409 0.873 ( 7.047 0.000 -8.020) 10.677 0.901 ( -0.912 0.000 3.500) 3.617 0.949 ( -5.249 0.000 2.229) 5.703 1.021 ( -2.399 0.000 -8.918) 9.235 1.088 ( -1.400 0.000 2.085) 2.511 1.148 ( -2.369 0.000 2.050) 3.133 1.214 ( -5.703 0.000 1.322) 5.854 1.227 ( 0.155 0.000 -0.464) 0.489 1.234 ( -1.069 0.000 -4.323) 4.454 1.333 ( 4.723 0.000 1.523) 4.962 1.366 ( 7.964 0.000 1.251) 8.062 1.554 ( 0.138 0.000 1.114) 1.122 1.558 ( 5.307 0.000 6.193) 8.156 1.645 ( -3.445 0.000 1.535) 3.771 1.660 ( 0.700 0.000 -3.397) 3.468 1.705 ( 1.670 0.000 1.606) 2.317 1.722 ( 2.905 0.000 1.639) 3.336 1.754 ( 1.926 0.000 1.233) 2.287 1.844 ( 2.845 0.000 3.286) 4.347 1.865 ( 0.576 0.000 2.841) 2.899 1.870 ( -5.468 0.000 -2.298) 5.931 1.902 ( 1.461 0.000 -1.200) 1.891 1.907 ( -0.375 0.000 -3.828) 3.846 1.925 ( -8.554 0.000 4.555) 9.691 2.055 ( -0.993 0.000 0.111) 0.999 2.080 ( -0.254 0.000 -1.428) 1.450 2.171 ( -2.238 0.000 -0.831) 2.387 2.173 ( 0.734 0.000 2.473) 2.580 2.287 ( 0.269 0.000 0.051) 0.274 2.307 ( -4.734 0.000 -2.137) 5.194 2.369 ( -5.134 0.000 -1.625) 5.385 2.418 ( 1.763 0.000 -4.186) 4.542 2.473 ( -2.821 0.000 0.227) 2.830 2.526 ( 4.123 0.000 -10.113) 10.922 2.615 ( -2.744 0.000 0.921) 2.895 2.914 ( 1.510 0.000 -0.540) 1.604 2.945 ( -3.860 0.000 -1.169) 4.033 3.041 ( 2.618 0.000 3.668) 4.506 3.126 ( 2.644 0.000 -4.008) 4.801 3.134 ( -0.981 0.000 1.412) 1.719 3.196 ( 1.496 0.000 0.611) 1.616 3.265 ( 0.379 0.000 2.552) 2.580 3.300 ( -5.205 0.000 5.003) 7.219 3.600 ( -4.688 0.000 -2.262) 5.205 3.621 ( -1.962 0.000 -1.861) 2.705 4.112 ( -9.284 0.000 0.897) 9.327 4.254 ( -3.629 0.000 -7.066) 7.943 4.352 ( -7.657 0.000 3.058) 8.246 4.435 ( 2.336 0.000 -1.323) 2.685 4.627 ( 2.253 0.000 1.977) 2.997 4.663 ( -0.660 0.000 -0.500) 0.828 4.836 ( -1.121 0.000 15.717) 15.757 5.272 ( -1.101 0.000 -4.658) 4.786 5.471 ( -5.936 0.000 4.946) 7.727 5.599 ( 7.398 0.000 2.480) 7.803 6.116 ( -15.584 0.000 -5.313) 16.464 6.173 ( -5.470 0.000 -5.636) 7.854 6.308 ( 3.406 0.000 11.460) 11.956 6.789 ( 15.779 0.000 -1.206) 15.825 6.998 ( -10.103 0.000 -7.153) 12.379 7.010 ( 4.925 0.000 -0.757) 4.983 7.483 ( 1.404 0.000 0.734) 1.585 7.626 ( 2.069 0.000 12.241) 12.414 7.827 ( 10.016 0.000 -10.140) 14.253 7.964 ( 5.445 0.000 -3.222) 6.327 11.008 ( 0.799 0.000 -0.853) 1.169 11.077 ( -0.284 0.000 -0.798) 0.848 12.523 ( -0.401 0.000 9.993) 10.001 12.685 ( 9.165 0.000 5.968) 10.937 12.911 ( 2.565 0.000 -0.777) 2.681 12.984 ( -2.752 0.000 -3.008) 4.077 13.275 ( 2.403 0.000 1.159) 2.668 13.725 ( 6.368 0.000 -14.182) 15.546 14.124 ( 1.396 0.000 6.647) 6.793 14.496 ( 2.810 0.000 -5.841) 6.482 14.737 ( -4.673 0.000 -1.632) 4.950 14.935 ( -12.750 0.000 1.379) 12.825 16.324 ( -2.725 0.000 0.626) 2.796 16.466 ( -3.006 0.000 -6.104) 6.804 16.836 ( 2.972 0.000 3.299) 4.440 17.072 ( -2.189 0.000 2.923) 3.652 ======================= Grid point 52 (20/56) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -1.545 0.000 2.628) 3.048 0.744 ( 0.622 0.000 -2.233) 2.318 0.830 ( -1.906 0.000 -8.705) 8.912 0.875 ( 4.756 0.000 -3.746) 6.054 0.892 ( -0.265 0.000 2.678) 2.692 0.974 ( 5.068 0.000 0.907) 5.148 0.998 ( 3.341 0.000 -5.154) 6.142 1.063 ( -0.698 0.000 -2.158) 2.268 1.091 ( -4.689 0.000 2.552) 5.338 1.193 ( 4.142 0.000 0.159) 4.145 1.206 ( 0.487 0.000 -3.493) 3.527 1.222 ( 0.054 0.000 -5.411) 5.411 1.455 ( 5.771 0.000 6.919) 9.010 1.488 ( 0.103 0.000 0.904) 0.910 1.544 ( -2.954 0.000 5.549) 6.286 1.546 ( -2.299 0.000 0.938) 2.483 1.638 ( -1.551 0.000 -2.250) 2.733 1.643 ( -6.504 0.000 1.135) 6.602 1.655 ( 1.948 0.000 4.602) 4.997 1.733 ( -5.479 0.000 0.297) 5.487 1.739 ( -2.732 0.000 -0.215) 2.740 1.752 ( -0.281 0.000 1.759) 1.781 1.801 ( -3.527 0.000 -0.497) 3.562 1.849 ( 1.937 0.000 -2.397) 3.082 1.935 ( -1.223 0.000 2.810) 3.064 1.941 ( -0.952 0.000 1.220) 1.547 1.963 ( 3.704 0.000 5.778) 6.863 2.032 ( 0.029 0.000 2.110) 2.110 2.051 ( -0.668 0.000 0.204) 0.698 2.131 ( 1.983 0.000 1.483) 2.476 2.214 ( 2.773 0.000 -1.402) 3.107 2.246 ( -2.702 0.000 -6.140) 6.709 2.276 ( 2.191 0.000 1.835) 2.858 2.348 ( 1.520 0.000 -1.870) 2.410 2.423 ( -2.052 0.000 2.781) 3.456 2.453 ( 1.676 0.000 -4.794) 5.079 2.557 ( 1.182 0.000 -6.915) 7.015 2.633 ( 4.015 0.000 -6.297) 7.468 2.869 ( -1.760 0.000 -1.970) 2.641 2.952 ( 1.340 0.000 -2.337) 2.694 3.104 ( -0.415 0.000 0.746) 0.854 3.132 ( -3.314 0.000 -0.890) 3.431 3.149 ( -6.202 0.000 3.054) 6.913 3.169 ( 4.126 0.000 4.585) 6.168 3.247 ( -1.453 0.000 1.770) 2.290 3.260 ( 3.518 0.000 1.707) 3.910 3.539 ( -0.683 0.000 -1.875) 1.996 3.592 ( -0.235 0.000 -2.343) 2.355 3.989 ( -1.706 0.000 -1.649) 2.372 4.048 ( -4.700 0.000 -7.190) 8.589 4.323 ( -2.136 0.000 0.519) 2.198 4.421 ( -1.213 0.000 -3.343) 3.556 4.754 ( 5.761 0.000 11.793) 13.125 4.764 ( 6.621 0.000 8.261) 10.587 5.037 ( 17.400 0.000 20.664) 27.014 5.222 ( -2.865 0.000 -7.161) 7.713 5.289 ( -9.370 0.000 -6.605) 11.464 5.670 ( -10.561 0.000 -2.054) 10.759 5.892 ( 5.849 0.000 -4.031) 7.103 6.049 ( -3.347 0.000 -5.102) 6.102 6.421 ( 4.351 0.000 11.496) 12.292 6.850 ( -3.972 0.000 -6.281) 7.431 7.019 ( -3.565 0.000 -3.546) 5.028 7.037 ( 8.029 0.000 0.459) 8.042 7.494 ( -1.248 0.000 1.452) 1.915 7.630 ( -3.472 0.000 7.885) 8.615 7.967 ( 4.338 0.000 -8.397) 9.451 8.030 ( 1.603 0.000 -2.451) 2.929 11.032 ( 1.247 0.000 -0.075) 1.250 11.061 ( -0.972 0.000 -1.693) 1.952 12.540 ( 0.594 0.000 12.003) 12.018 12.780 ( -1.315 0.000 4.033) 4.242 12.941 ( 0.172 0.000 -0.534) 0.561 12.951 ( 0.346 0.000 -2.959) 2.979 13.310 ( 0.308 0.000 3.197) 3.211 13.803 ( 3.400 0.000 -14.624) 15.014 14.167 ( 1.531 0.000 7.559) 7.712 14.547 ( 1.816 0.000 -4.829) 5.160 14.681 ( 0.621 0.000 -1.468) 1.594 14.690 ( -11.042 0.000 -1.547) 11.150 16.286 ( -1.003 0.000 0.257) 1.035 16.428 ( 0.135 0.000 -5.582) 5.583 16.895 ( 1.804 0.000 5.089) 5.399 17.017 ( -3.327 0.000 1.424) 3.619 ======================= Grid point 53 (21/56) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -8.097 0.000 4.408) 9.219 0.553 ( -15.510 0.000 -11.653) 19.400 0.777 ( 2.589 0.000 -1.368) 2.928 0.943 ( -5.581 0.000 2.039) 5.942 0.959 ( 4.960 0.000 -3.434) 6.033 1.003 ( 1.369 0.000 3.273) 3.548 1.043 ( 3.311 0.000 -3.314) 4.684 1.112 ( 0.909 0.000 0.323) 0.965 1.132 ( 5.741 0.000 -0.352) 5.751 1.142 ( -1.989 0.000 -1.608) 2.557 1.221 ( 0.957 0.000 -3.229) 3.368 1.252 ( -5.910 0.000 3.270) 6.754 1.393 ( -6.035 0.000 4.877) 7.760 1.427 ( -7.847 0.000 -2.143) 8.134 1.520 ( 1.990 0.000 -5.360) 5.718 1.575 ( 2.120 0.000 -1.326) 2.500 1.575 ( 3.437 0.000 9.600) 10.197 1.613 ( -0.846 0.000 1.220) 1.485 1.654 ( -0.677 0.000 1.322) 1.486 1.701 ( -1.389 0.000 -0.232) 1.408 1.735 ( 2.302 0.000 1.518) 2.757 1.754 ( -0.105 0.000 3.102) 3.103 1.761 ( 0.248 0.000 -1.715) 1.733 1.818 ( -3.180 0.000 2.306) 3.928 1.890 ( -2.181 0.000 -3.014) 3.720 1.912 ( -0.130 0.000 -0.661) 0.673 1.982 ( -0.517 0.000 2.849) 2.895 2.063 ( -2.167 0.000 -4.151) 4.683 2.111 ( 4.500 0.000 4.889) 6.645 2.145 ( -3.529 0.000 -4.826) 5.978 2.266 ( 7.699 0.000 0.788) 7.739 2.282 ( 4.469 0.000 -2.529) 5.135 2.333 ( -1.966 0.000 0.224) 1.978 2.354 ( 3.599 0.000 -1.054) 3.750 2.418 ( 2.157 0.000 -1.333) 2.535 2.466 ( 0.769 0.000 -0.629) 0.993 2.617 ( 4.512 0.000 0.419) 4.531 2.696 ( 1.251 0.000 -7.203) 7.311 2.854 ( 0.554 0.000 -2.242) 2.309 2.905 ( -3.973 0.000 -1.384) 4.207 2.998 ( -5.548 0.000 2.538) 6.102 3.075 ( -2.282 0.000 -0.752) 2.402 3.143 ( 2.574 0.000 -0.313) 2.593 3.201 ( -0.878 0.000 0.054) 0.880 3.272 ( 2.356 0.000 8.175) 8.508 3.332 ( 1.878 0.000 1.068) 2.160 3.563 ( 2.893 0.000 -1.810) 3.413 3.613 ( 2.764 0.000 -1.303) 3.056 4.016 ( 2.896 0.000 -1.098) 3.097 4.096 ( 8.272 0.000 -1.290) 8.372 4.282 ( -1.076 0.000 1.465) 1.818 4.436 ( 4.410 0.000 -0.158) 4.413 4.837 ( -0.378 0.000 6.800) 6.810 4.897 ( 3.927 0.000 6.151) 7.298 5.101 ( -5.800 0.000 -9.892) 11.466 5.181 ( 2.207 0.000 -1.018) 2.430 5.464 ( -4.388 0.000 -6.175) 7.576 5.496 ( 18.350 0.000 21.655) 28.384 6.056 ( 5.780 0.000 -4.600) 7.387 6.078 ( 7.461 0.000 -4.209) 8.566 6.507 ( 0.621 0.000 10.351) 10.369 6.768 ( -3.110 0.000 -5.428) 6.255 6.882 ( -6.513 0.000 -4.016) 7.651 7.154 ( 4.341 0.000 -2.337) 4.930 7.436 ( -3.777 0.000 2.887) 4.754 7.533 ( -5.618 0.000 4.093) 6.951 7.962 ( -3.843 0.000 -6.856) 7.860 8.021 ( -2.215 0.000 -2.560) 3.386 11.038 ( -0.697 0.000 -2.596) 2.688 11.051 ( 0.481 0.000 0.750) 0.891 12.603 ( 3.484 0.000 14.853) 15.257 12.667 ( -9.475 0.000 3.398) 10.066 12.913 ( -2.609 0.000 -1.475) 2.997 12.971 ( 1.741 0.000 -3.077) 3.535 13.301 ( -1.437 0.000 3.344) 3.640 13.785 ( -3.615 0.000 -22.800) 23.085 14.208 ( -0.090 0.000 7.548) 7.548 14.481 ( -6.967 0.000 2.726) 7.481 14.538 ( -0.656 0.000 -8.846) 8.870 14.761 ( 5.431 0.000 5.387) 7.649 16.285 ( 0.823 0.000 0.891) 1.213 16.437 ( 1.162 0.000 -5.971) 6.083 16.922 ( -0.352 0.000 6.234) 6.244 16.944 ( -3.682 0.000 0.477) 3.713 ======================= Grid point 54 (22/56) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( -9.886 0.000 1.481) 9.996 0.312 ( -7.712 0.000 8.339) 11.359 0.759 ( -12.825 0.000 11.048) 16.927 0.855 ( 5.364 0.000 -1.503) 5.570 0.926 ( -12.097 0.000 9.448) 15.349 1.025 ( 3.241 0.000 -6.655) 7.402 1.061 ( -0.351 0.000 -1.734) 1.769 1.102 ( 4.428 0.000 5.038) 6.708 1.131 ( 1.489 0.000 -1.163) 1.889 1.206 ( -3.167 0.000 -0.054) 3.168 1.214 ( 0.853 0.000 -4.419) 4.501 1.263 ( 5.588 0.000 -3.836) 6.778 1.289 ( -2.489 0.000 -1.327) 2.820 1.333 ( -1.702 0.000 -0.632) 1.816 1.497 ( -2.737 0.000 -2.900) 3.988 1.569 ( -3.955 0.000 2.799) 4.846 1.572 ( -1.349 0.000 -0.312) 1.384 1.608 ( -1.756 0.000 4.079) 4.441 1.685 ( 0.299 0.000 -0.483) 0.568 1.697 ( -1.879 0.000 0.303) 1.903 1.728 ( 0.682 0.000 3.510) 3.576 1.749 ( 1.220 0.000 1.569) 1.988 1.842 ( 7.410 0.000 -8.728) 11.449 1.865 ( 1.428 0.000 4.701) 4.913 1.875 ( 3.584 0.000 -3.317) 4.883 1.901 ( 0.903 0.000 1.499) 1.750 1.962 ( -2.453 0.000 -4.740) 5.338 1.991 ( 0.324 0.000 1.094) 1.141 2.147 ( 0.757 0.000 -4.148) 4.217 2.161 ( -1.299 0.000 1.840) 2.253 2.271 ( -2.226 0.000 1.183) 2.521 2.283 ( -3.294 0.000 -3.298) 4.662 2.400 ( 5.178 0.000 0.474) 5.199 2.472 ( 3.949 0.000 -1.804) 4.341 2.478 ( 0.321 0.000 0.359) 0.482 2.478 ( 2.765 0.000 -1.183) 3.008 2.670 ( 0.501 0.000 -1.142) 1.247 2.730 ( 6.055 0.000 2.611) 6.594 2.868 ( 0.436 0.000 -0.485) 0.653 2.880 ( 2.031 0.000 -0.151) 2.036 2.950 ( -0.066 0.000 5.606) 5.606 2.989 ( -6.268 0.000 -2.062) 6.599 3.171 ( -1.912 0.000 -0.115) 1.916 3.198 ( 1.973 0.000 -2.262) 3.001 3.326 ( -1.828 0.000 -0.207) 1.840 3.363 ( 5.830 0.000 8.921) 10.657 3.625 ( 2.952 0.000 -1.560) 3.339 3.684 ( 3.120 0.000 0.170) 3.125 4.050 ( 0.631 0.000 1.799) 1.906 4.219 ( 0.135 0.000 5.842) 5.844 4.356 ( 8.253 0.000 1.753) 8.437 4.623 ( 11.544 0.000 0.543) 11.557 4.787 ( -2.121 0.000 -7.878) 8.158 4.916 ( -0.452 0.000 -5.396) 5.415 5.091 ( 4.050 0.000 -1.278) 4.247 5.336 ( 9.685 0.000 11.443) 14.992 5.441 ( 1.321 0.000 0.520) 1.420 5.755 ( 6.298 0.000 7.078) 9.474 6.108 ( -2.561 0.000 -6.757) 7.226 6.204 ( 0.745 0.000 3.971) 4.040 6.377 ( -9.948 0.000 -5.810) 11.521 6.712 ( -1.999 0.000 -4.416) 4.847 6.919 ( 8.195 0.000 7.179) 10.895 7.246 ( 6.057 0.000 -9.346) 11.137 7.398 ( 0.344 0.000 3.443) 3.460 7.488 ( 2.395 0.000 2.285) 3.310 7.761 ( -15.285 0.000 -9.344) 17.915 7.924 ( -6.477 0.000 -2.420) 6.915 11.034 ( 1.050 0.000 -2.012) 2.269 11.054 ( -0.297 0.000 0.950) 0.995 12.445 ( -10.852 0.000 3.901) 11.532 12.739 ( 3.548 0.000 10.122) 10.725 12.845 ( -0.183 0.000 -0.328) 0.376 13.005 ( 1.995 0.000 -3.477) 4.009 13.274 ( -1.493 0.000 2.427) 2.849 13.449 ( -25.097 0.000 -30.507) 39.504 14.131 ( -5.101 0.000 5.527) 7.521 14.508 ( -0.479 0.000 -10.760) 10.771 14.615 ( 19.861 0.000 22.076) 29.696 14.881 ( 3.911 0.000 9.633) 10.397 16.323 ( 2.526 0.000 2.749) 3.733 16.451 ( 1.991 0.000 -2.766) 3.408 16.871 ( -3.365 0.000 -0.733) 3.444 16.892 ( -3.667 0.000 5.267) 6.418 ======================= Grid point 55 (23/56) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 2.518 9.861 9.868) 14.175 0.446 ( -4.500 6.746 14.687) 16.777 0.730 ( 4.912 14.470 10.757) 18.688 0.824 ( -2.542 5.200 3.375) 6.700 0.964 ( 0.783 1.276 -5.085) 5.300 1.046 ( -1.365 2.500 -1.497) 3.218 1.094 ( 0.910 0.296 -1.861) 2.092 1.111 ( -3.008 -0.095 0.853) 3.128 1.154 ( -0.398 -0.155 1.191) 1.265 1.202 ( 0.466 1.313 -2.430) 2.801 1.243 ( -0.410 1.238 0.272) 1.332 1.284 ( 0.744 1.224 -0.617) 1.559 1.353 ( -0.793 0.030 0.149) 0.807 1.389 ( 3.051 -0.026 -1.153) 3.262 1.417 ( -0.512 -1.015 4.442) 4.586 1.472 ( -1.637 1.927 -0.180) 2.535 1.565 ( 3.518 -0.970 -1.771) 4.056 1.619 ( 2.336 1.896 -1.904) 3.561 1.710 ( -0.074 0.636 2.608) 2.686 1.724 ( 0.149 1.594 0.076) 1.602 1.750 ( 0.215 1.175 -0.845) 1.463 1.792 ( 2.780 -0.460 3.271) 4.317 1.851 ( -2.676 -0.404 1.209) 2.964 1.876 ( -0.312 0.189 -0.169) 0.402 1.930 ( -0.541 0.971 -1.038) 1.521 1.958 ( 3.311 -0.409 -2.864) 4.397 2.005 ( -2.064 2.174 -3.735) 4.789 2.015 ( 3.392 0.437 -5.048) 6.097 2.090 ( -0.702 -0.903 -1.025) 1.536 2.128 ( -0.176 -1.402 -2.195) 2.610 2.197 ( -1.590 -1.414 -1.151) 2.419 2.271 ( 0.743 -1.357 -3.289) 3.635 2.425 ( -2.101 -1.287 -0.142) 2.468 2.434 ( 3.459 -4.021 -0.359) 5.316 2.456 ( -3.848 -0.923 1.427) 4.207 2.522 ( -1.686 0.417 -0.585) 1.833 2.721 ( 3.813 -0.897 1.705) 4.273 2.765 ( -6.304 -0.696 -0.159) 6.344 2.831 ( -2.696 -4.161 0.807) 5.024 2.853 ( -0.059 -0.776 2.394) 2.517 2.998 ( 4.721 1.605 4.040) 6.418 3.015 ( 4.165 2.560 4.239) 6.471 3.132 ( 0.435 -0.391 1.341) 1.462 3.206 ( -0.942 -0.965 3.086) 3.368 3.239 ( -2.011 2.854 0.356) 3.509 3.614 ( -3.180 -1.403 -2.909) 4.533 3.664 ( 0.215 -3.637 -0.740) 3.717 3.781 ( 11.230 3.516 -14.191) 18.435 4.149 ( 3.676 1.199 4.089) 5.627 4.181 ( 0.132 -2.866 4.004) 4.926 4.429 ( 3.359 -2.401 3.287) 5.278 4.644 ( -11.392 -12.145 -4.179) 17.169 4.755 ( 0.402 -3.330 -3.400) 4.776 4.808 ( -0.225 2.185 -7.214) 7.541 5.138 ( -4.141 1.709 8.653) 9.744 5.420 ( 1.208 3.484 -3.397) 5.014 5.482 ( -4.019 0.962 9.108) 10.002 5.904 ( 8.832 -4.920 -1.992) 10.304 6.010 ( -21.999 -2.670 -2.346) 22.284 6.162 ( 7.566 7.070 -3.180) 10.833 6.287 ( 0.113 6.103 7.558) 9.715 6.528 ( 4.099 -10.654 14.380) 18.360 6.669 ( -6.592 1.444 -2.506) 7.199 7.290 ( -0.249 -7.382 -10.844) 13.121 7.342 ( -3.567 -4.691 9.127) 10.864 7.512 ( 1.980 1.159 0.824) 2.437 7.623 ( 1.087 4.083 1.622) 4.526 7.792 ( -1.859 -2.530 -6.390) 7.120 11.041 ( -1.176 0.075 0.396) 1.243 11.067 ( 1.118 -0.123 -0.627) 1.288 12.299 ( -0.675 -1.247 3.037) 3.352 12.462 ( -4.920 -5.332 -1.482) 7.405 12.885 ( 0.411 -2.961 7.793) 8.346 12.951 ( 7.647 -3.091 9.240) 12.385 13.063 ( 1.556 2.079 -2.665) 3.721 13.471 ( -1.148 -2.359 -14.831) 15.061 14.121 ( -1.665 4.456 4.739) 6.714 14.325 ( 0.246 -5.184 1.311) 5.353 14.964 ( -0.815 6.765 10.185) 12.254 15.595 ( 6.413 13.233 -23.676) 27.871 16.383 ( 1.551 -0.103 4.197) 4.476 16.592 ( 4.993 -5.036 -1.349) 7.219 16.831 ( -4.100 2.510 0.678) 4.854 16.865 ( 8.125 1.959 -0.247) 8.362 ======================= Grid point 56 (24/56) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 2.226 5.499 10.985) 12.484 0.546 ( 7.953 7.816 9.644) 14.743 0.790 ( -0.130 2.833 -6.629) 7.211 0.846 ( -3.648 4.279 -7.532) 9.399 0.960 ( 1.311 2.985 7.076) 7.791 0.998 ( -1.308 1.605 5.234) 5.628 1.106 ( 0.418 1.719 -0.076) 1.771 1.139 ( 0.078 1.241 -0.431) 1.316 1.159 ( 3.788 3.605 -0.397) 5.244 1.190 ( 0.710 -0.246 -1.769) 1.922 1.239 ( 1.573 0.907 1.792) 2.551 1.278 ( -3.868 -2.635 2.719) 5.413 1.323 ( -0.513 2.575 1.089) 2.843 1.361 ( -2.340 4.380 -4.198) 6.503 1.448 ( 3.160 -1.111 0.869) 3.460 1.535 ( 3.672 0.938 -0.939) 3.904 1.611 ( -0.175 -0.781 -0.644) 1.027 1.662 ( 2.285 2.245 -1.488) 3.532 1.697 ( -1.872 -0.067 1.539) 2.424 1.712 ( -1.364 2.596 3.119) 4.281 1.742 ( -1.136 -0.786 0.343) 1.424 1.793 ( 2.712 4.402 1.973) 5.533 1.852 ( 1.607 0.962 0.364) 1.908 1.874 ( 0.907 -1.822 -0.357) 2.066 1.925 ( -1.750 -1.089 -1.779) 2.723 1.968 ( -1.717 -1.659 -4.264) 4.888 1.995 ( -0.053 -0.475 -5.462) 5.483 2.048 ( 0.023 -0.958 -0.742) 1.212 2.073 ( 1.362 -0.222 -1.633) 2.138 2.139 ( 1.098 -3.669 0.133) 3.832 2.179 ( -0.543 -1.367 0.915) 1.732 2.338 ( -3.476 -0.411 3.453) 4.917 2.346 ( 2.435 -1.795 -4.433) 5.367 2.373 ( -1.899 -1.296 -1.664) 2.838 2.451 ( -3.641 -1.163 -1.997) 4.313 2.483 ( -0.650 1.023 0.980) 1.559 2.594 ( -7.410 1.602 -0.813) 7.625 2.726 ( -2.605 -0.572 2.048) 3.362 2.843 ( 2.052 -3.551 1.666) 4.427 2.872 ( 1.551 -0.941 -0.585) 1.906 3.049 ( 0.048 -1.803 1.302) 2.225 3.104 ( -3.065 -0.112 -1.207) 3.296 3.133 ( 5.431 1.012 3.813) 6.713 3.186 ( -1.474 3.625 -3.748) 5.419 3.246 ( 1.339 -1.027 9.088) 9.243 3.500 ( -6.465 1.297 -2.261) 6.971 3.642 ( -1.846 -2.256 -1.846) 3.450 3.746 ( -8.745 0.811 -6.481) 10.915 4.174 ( -1.644 -5.825 3.749) 7.119 4.192 ( 1.866 -1.704 2.445) 3.517 4.427 ( -5.344 -2.653 -1.989) 6.289 4.513 ( 0.107 -1.852 3.376) 3.852 4.684 ( -6.287 -0.322 0.231) 6.299 4.756 ( -3.933 -0.288 -5.637) 6.879 4.977 ( -10.464 6.577 0.907) 12.393 5.314 ( -6.201 -3.857 1.019) 7.373 5.460 ( -0.671 0.929 7.157) 7.248 5.664 ( -6.191 5.535 6.307) 10.428 6.077 ( 6.302 -3.115 -5.473) 8.909 6.271 ( -4.692 -3.657 4.783) 7.633 6.462 ( -1.137 4.999 0.637) 5.166 6.495 ( 13.039 3.951 -3.770) 14.137 6.792 ( 11.322 -2.807 3.588) 12.204 7.120 ( -11.763 -12.825 -8.315) 19.287 7.376 ( 2.748 -2.763 8.831) 9.652 7.608 ( 5.166 -0.625 -0.508) 5.228 7.634 ( 2.599 5.880 5.180) 8.256 7.865 ( 8.490 0.448 -8.963) 12.354 11.015 ( -0.841 0.427 -0.557) 1.095 11.075 ( 0.143 -0.204 -0.144) 0.288 12.416 ( 10.082 -2.430 3.991) 11.112 12.480 ( 2.218 -1.995 4.122) 5.088 12.888 ( 1.580 2.315 -0.134) 2.806 13.065 ( -1.589 1.327 -2.155) 2.989 13.152 ( 6.412 -6.078 4.204) 9.784 13.501 ( 6.890 -8.219 -14.138) 17.745 14.125 ( 0.875 3.442 6.115) 7.071 14.336 ( 0.885 -5.812 0.438) 5.896 14.896 ( -6.200 6.503 5.073) 10.318 15.428 ( -13.881 11.616 -12.101) 21.772 16.383 ( -2.298 -0.154 3.303) 4.027 16.529 ( -5.275 -4.200 -4.685) 8.211 16.799 ( 1.319 2.252 0.150) 2.614 17.055 ( 4.225 -1.838 1.457) 4.832 ======================= Grid point 57 (25/56) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 12.934 2.521 1.055) 13.219 0.663 ( -0.565 5.744 -1.662) 6.007 0.770 ( 3.796 5.334 0.069) 6.547 0.857 ( 1.739 0.950 -6.216) 6.524 0.904 ( -0.782 0.565 4.109) 4.221 1.030 ( 0.697 5.013 0.140) 5.063 1.061 ( -4.744 2.956 -5.786) 8.045 1.094 ( -1.804 1.544 1.138) 2.633 1.150 ( -2.715 -0.724 1.302) 3.097 1.194 ( -2.087 -0.615 0.139) 2.180 1.231 ( -0.345 -0.164 -2.526) 2.554 1.255 ( -2.104 1.801 -0.998) 2.943 1.360 ( 5.043 2.424 0.108) 5.597 1.409 ( 5.639 3.978 1.902) 7.158 1.508 ( 2.264 -2.301 0.535) 3.272 1.582 ( -0.097 -1.273 2.365) 2.687 1.610 ( -0.463 -2.172 -1.740) 2.821 1.646 ( 0.930 -1.698 0.985) 2.172 1.709 ( -0.779 1.488 3.116) 3.539 1.745 ( 1.490 -0.404 1.337) 2.042 1.769 ( 3.197 0.708 0.872) 3.389 1.793 ( -4.326 -1.658 -0.798) 4.701 1.838 ( -1.269 1.212 3.955) 4.327 1.878 ( -1.263 0.883 0.268) 1.564 1.914 ( -5.192 0.106 2.109) 5.605 1.943 ( 1.885 1.608 -4.318) 4.978 1.952 ( 3.461 2.860 3.394) 5.628 2.030 ( -1.049 -2.802 -3.494) 4.599 2.088 ( -2.141 0.095 0.360) 2.173 2.143 ( 0.086 -1.131 -2.067) 2.358 2.211 ( 4.218 0.761 4.401) 6.143 2.257 ( -5.120 -1.685 2.239) 5.837 2.302 ( -3.048 -1.090 -0.161) 3.241 2.348 ( -3.178 -0.199 -2.351) 3.958 2.442 ( 0.560 2.108 -5.915) 6.304 2.465 ( -0.713 -0.805 -2.259) 2.502 2.512 ( 1.967 0.003 -4.846) 5.230 2.659 ( -2.098 3.487 0.167) 4.073 2.878 ( 1.495 -3.521 -0.027) 3.825 2.897 ( -1.234 -3.346 -2.248) 4.216 3.031 ( 1.145 -1.287 2.452) 2.997 3.077 ( 0.442 -0.467 0.545) 0.843 3.158 ( -0.210 0.926 -3.425) 3.554 3.237 ( 3.028 0.711 3.831) 4.935 3.259 ( -1.093 -0.857 4.479) 4.689 3.365 ( -6.195 4.185 -0.077) 7.476 3.578 ( -3.839 -1.782 -2.350) 4.841 3.616 ( -2.719 -1.236 -0.036) 2.987 4.088 ( -6.384 -2.770 -1.093) 7.044 4.208 ( -6.107 -4.695 -7.597) 10.819 4.319 ( -2.042 -3.606 2.043) 4.620 4.387 ( -5.120 -1.682 -0.433) 5.406 4.683 ( -0.122 0.287 6.798) 6.805 4.717 ( 1.685 0.926 1.062) 2.196 4.800 ( 1.024 6.169 5.635) 8.417 5.246 ( -4.125 -1.323 -1.430) 4.562 5.464 ( -0.429 -1.559 8.457) 8.610 5.650 ( 2.382 2.278 -1.432) 3.594 6.015 ( -9.431 -3.439 -7.416) 12.481 6.236 ( 0.561 -5.398 9.570) 11.001 6.300 ( -9.564 6.638 -3.846) 12.261 6.788 ( 3.225 -10.762 -6.954) 13.213 6.892 ( 3.574 -2.232 3.206) 5.295 7.019 ( 5.833 0.880 -3.178) 6.700 7.450 ( 2.443 -0.236 6.753) 7.186 7.705 ( 2.221 2.886 -0.008) 3.641 7.724 ( 5.304 -2.082 2.720) 6.314 8.035 ( 7.917 2.112 -8.362) 11.707 11.014 ( 0.760 0.566 -0.750) 1.208 11.075 ( -0.234 -0.244 -0.551) 0.646 12.514 ( 0.287 -0.635 8.177) 8.206 12.643 ( 8.797 -3.912 5.247) 10.964 12.930 ( 1.265 2.613 -0.791) 3.009 13.010 ( -1.462 1.080 -4.870) 5.198 13.251 ( 3.258 -2.343 2.061) 4.511 13.638 ( 6.805 -9.136 -12.996) 17.282 14.167 ( 1.694 3.913 7.266) 8.425 14.374 ( 2.523 -6.057 3.800) 7.583 14.767 ( -5.455 5.026 -1.919) 7.661 15.113 ( -13.288 10.489 -7.355) 18.458 16.329 ( -2.489 0.468 0.895) 2.686 16.433 ( -2.858 -2.863 -4.191) 5.825 16.857 ( 3.186 1.997 2.467) 4.497 17.074 ( -1.501 0.015 2.329) 2.771 ======================= Grid point 58 (26/56) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -2.347 6.344 0.832) 6.815 0.747 ( -2.622 0.795 -4.808) 5.534 0.824 ( 5.213 -0.238 -3.159) 6.100 0.877 ( 1.099 1.236 -3.726) 4.076 0.922 ( -0.234 3.154 2.335) 3.931 1.001 ( 5.754 3.317 -1.154) 6.741 1.036 ( -2.329 1.029 2.174) 3.348 1.084 ( 3.283 3.598 -3.237) 5.849 1.130 ( -2.718 2.538 -0.788) 3.802 1.197 ( -0.397 -0.142 -0.044) 0.424 1.207 ( 4.100 0.539 -2.758) 4.971 1.235 ( 0.054 1.374 -4.394) 4.604 1.454 ( 0.533 -0.805 3.939) 4.055 1.478 ( -0.171 -0.635 0.776) 1.017 1.534 ( 1.782 0.728 3.329) 3.845 1.561 ( -0.559 -0.503 4.057) 4.126 1.584 ( -1.083 -3.286 -2.147) 4.072 1.640 ( -4.507 -0.709 0.261) 4.570 1.668 ( -3.616 -0.559 -0.286) 3.670 1.706 ( -0.444 -0.234 -0.370) 0.624 1.744 ( -3.472 -0.053 3.645) 5.034 1.775 ( -2.506 1.995 1.511) 3.542 1.824 ( -0.146 -0.574 -0.288) 0.659 1.872 ( 0.729 2.547 -1.213) 2.914 1.889 ( 0.535 -0.677 3.552) 3.656 1.951 ( 1.266 -0.253 3.842) 4.053 1.999 ( -2.188 -0.342 0.222) 2.226 2.020 ( -0.640 2.530 0.785) 2.726 2.081 ( -1.681 0.900 0.490) 1.968 2.112 ( 3.060 1.388 1.873) 3.847 2.180 ( -0.105 -3.532 -2.598) 4.386 2.246 ( 0.227 1.642 -1.325) 2.122 2.290 ( 0.504 -1.620 2.435) 2.968 2.342 ( 1.830 0.073 -0.960) 2.067 2.437 ( 0.392 -0.596 -0.252) 0.757 2.477 ( 1.995 3.129 -5.567) 6.691 2.536 ( 0.761 0.001 -4.028) 4.099 2.668 ( 2.207 2.807 -4.619) 5.838 2.858 ( -0.466 -0.983 -3.490) 3.655 2.917 ( 2.137 -3.902 -2.098) 4.919 3.061 ( -2.235 -2.906 2.836) 4.635 3.105 ( 3.214 -1.685 2.787) 4.576 3.138 ( -4.003 0.322 1.688) 4.356 3.207 ( -2.420 0.114 0.928) 2.594 3.275 ( 1.346 1.497 1.482) 2.499 3.301 ( 0.003 3.942 0.576) 3.983 3.521 ( -0.881 -1.629 -0.977) 2.094 3.580 ( -0.552 -1.353 -1.703) 2.244 3.962 ( -3.985 -2.530 -3.994) 6.183 4.044 ( -1.056 -1.096 -5.545) 5.750 4.305 ( -2.469 -1.369 0.464) 2.861 4.372 ( 0.633 -3.876 -1.767) 4.306 4.674 ( 4.203 -1.760 7.333) 8.633 4.907 ( 5.186 7.187 10.502) 13.742 4.941 ( 10.412 -8.618 7.733) 15.572 5.141 ( -0.866 -1.761 4.717) 5.108 5.423 ( -5.233 7.038 -5.330) 10.263 5.609 ( -8.682 -4.717 -6.234) 11.683 5.905 ( 5.168 0.508 -1.653) 5.450 6.100 ( -6.431 4.199 -3.919) 8.622 6.350 ( 7.974 -5.243 9.252) 13.292 6.707 ( -4.292 -13.067 -8.591) 16.217 7.000 ( 0.642 -3.263 2.481) 4.149 7.130 ( 3.204 5.129 -1.049) 6.138 7.481 ( -0.446 2.709 5.530) 6.174 7.705 ( -2.351 3.806 -1.902) 4.861 7.793 ( 0.482 -6.503 2.962) 7.162 8.132 ( 2.328 2.116 -7.705) 8.323 11.035 ( 1.104 0.358 -0.061) 1.162 11.061 ( -0.902 -0.037 -1.379) 1.648 12.537 ( 0.664 -0.230 10.139) 10.163 12.740 ( -0.708 -4.127 4.098) 5.859 12.924 ( -0.302 1.317 -1.833) 2.278 13.009 ( 0.659 2.651 -3.788) 4.671 13.289 ( -0.537 -2.410 3.007) 3.891 13.704 ( 1.614 -9.708 -13.820) 16.966 14.210 ( 1.081 4.112 8.600) 9.593 14.432 ( 0.461 -4.915 8.563) 9.884 14.692 ( -0.688 4.692 -5.990) 7.639 14.898 ( -4.466 10.416 -9.340) 14.685 16.295 ( -0.866 0.932 0.385) 1.329 16.398 ( 0.011 -2.545 -3.789) 4.564 16.919 ( 1.921 2.087 4.187) 5.058 17.025 ( -3.121 0.711 0.939) 3.336 ======================= Grid point 59 (27/56) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -11.432 1.916 -2.102) 11.780 0.651 ( -6.517 7.635 -2.684) 10.391 0.813 ( 1.239 3.678 -2.022) 4.376 0.952 ( -2.477 0.892 3.029) 4.014 0.971 ( 4.290 1.838 -2.300) 5.203 1.021 ( 0.954 1.571 3.320) 3.794 1.089 ( 2.110 2.235 -3.742) 4.843 1.116 ( 2.330 3.036 -1.334) 4.052 1.139 ( -2.021 0.012 0.277) 2.040 1.166 ( 2.261 1.203 -0.763) 2.672 1.244 ( 0.251 2.914 -1.269) 3.188 1.289 ( -0.572 2.490 2.277) 3.423 1.397 ( -3.306 0.220 1.787) 3.765 1.447 ( -5.468 1.481 -2.471) 6.181 1.482 ( -1.353 -3.075 -1.934) 3.876 1.538 ( -2.150 -1.012 2.928) 3.771 1.588 ( 1.758 -1.920 1.283) 2.902 1.614 ( 2.695 -1.171 -4.298) 5.206 1.656 ( 0.101 3.773 4.065) 5.547 1.697 ( -1.760 0.402 2.686) 3.237 1.725 ( 2.031 -1.056 1.139) 2.557 1.733 ( 0.022 -1.764 3.496) 3.916 1.804 ( -0.943 0.203 -1.734) 1.984 1.840 ( -2.991 2.392 -0.700) 3.894 1.860 ( -1.454 2.269 1.167) 2.937 1.962 ( -2.198 2.575 -2.372) 4.134 2.002 ( 0.744 1.650 0.777) 1.970 2.015 ( 2.705 -4.338 3.906) 6.434 2.096 ( -5.199 -1.128 -4.139) 6.740 2.128 ( 3.980 -2.969 1.391) 5.156 2.181 ( 2.613 -3.011 -2.015) 4.467 2.323 ( -0.581 -1.008 1.081) 1.588 2.338 ( 5.522 2.197 1.134) 6.051 2.373 ( 5.146 0.576 -1.241) 5.325 2.455 ( 0.726 2.101 -0.828) 2.372 2.487 ( 0.145 2.325 -2.664) 3.539 2.582 ( 3.190 -1.367 0.327) 3.486 2.685 ( 0.357 -0.320 -6.310) 6.328 2.876 ( 2.119 1.287 -3.729) 4.478 2.912 ( -1.853 -1.465 -2.184) 3.217 3.003 ( -6.295 0.529 3.676) 7.309 3.041 ( -0.379 -0.493 0.176) 0.647 3.135 ( -1.072 -0.851 0.256) 1.392 3.213 ( 0.909 -1.167 5.721) 5.909 3.286 ( -0.383 -1.276 1.428) 1.953 3.349 ( 4.729 3.994 0.038) 6.190 3.551 ( 3.460 -0.921 0.306) 3.594 3.596 ( 2.187 -1.664 -1.921) 3.354 3.977 ( 4.344 -3.073 -0.421) 5.338 4.097 ( 4.843 -1.122 -3.959) 6.355 4.260 ( -0.709 -2.102 0.838) 2.372 4.421 ( 5.483 -1.413 -0.098) 5.663 4.791 ( 3.944 -1.018 4.575) 6.125 4.983 ( 3.603 -5.655 8.380) 10.732 5.038 ( 3.705 4.077 -3.228) 6.385 5.179 ( -12.836 2.168 -6.672) 14.627 5.363 ( 9.422 -3.480 9.115) 13.563 5.611 ( 9.998 4.387 4.479) 11.801 5.907 ( -1.479 -8.342 -3.905) 9.329 6.201 ( 12.000 4.607 -0.996) 12.893 6.511 ( 1.490 0.693 5.999) 6.220 6.605 ( -2.945 -13.897 -10.511) 17.672 6.935 ( -5.974 3.152 3.802) 7.751 7.123 ( -1.291 -3.118 -3.442) 4.820 7.472 ( -0.619 4.701 5.579) 7.322 7.605 ( -6.141 5.004 -0.803) 7.962 7.755 ( -4.886 -10.101 2.371) 11.468 8.094 ( -4.620 -0.716 -7.833) 9.122 11.038 ( -0.705 0.074 -2.005) 2.126 11.053 ( 0.385 0.121 0.621) 0.741 12.583 ( 1.240 -1.298 11.313) 11.455 12.643 ( -7.718 -3.327 4.548) 9.556 12.907 ( -2.299 1.116 -2.577) 3.629 13.009 ( 0.759 2.077 -4.556) 5.064 13.222 ( -6.659 -6.502 1.516) 9.430 13.661 ( -3.058 -10.085 -14.608) 18.013 14.235 ( -0.579 2.696 7.936) 8.401 14.375 ( -5.793 -1.073 6.531) 8.796 14.736 ( 5.647 6.925 -1.807) 9.117 14.936 ( 9.027 15.875 -9.168) 20.434 16.295 ( 0.802 1.019 0.675) 1.462 16.409 ( 1.419 -2.107 -3.696) 4.485 16.930 ( -2.352 0.266 3.255) 4.025 16.969 ( -1.759 2.442 1.844) 3.529 ======================= Grid point 60 (28/56) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( -0.101 10.498 6.372) 12.281 0.501 ( -6.464 12.546 3.849) 14.629 0.826 ( -7.670 6.003 4.101) 10.568 0.876 ( 2.702 3.122 0.905) 4.227 0.946 ( -7.309 1.822 5.710) 9.452 1.065 ( 0.253 2.746 -0.767) 2.862 1.074 ( -0.260 1.044 -1.731) 2.038 1.137 ( 5.203 3.334 3.468) 7.086 1.170 ( -0.357 2.110 1.039) 2.379 1.180 ( 0.517 0.512 -4.214) 4.277 1.217 ( 0.081 0.774 -0.741) 1.075 1.298 ( -2.187 1.274 -0.398) 2.562 1.333 ( 0.422 3.955 -3.322) 5.182 1.370 ( -1.028 3.284 -1.232) 3.655 1.454 ( -2.985 -2.853 -1.598) 4.428 1.503 ( -0.365 -3.807 1.398) 4.072 1.580 ( 0.147 -2.474 -0.020) 2.478 1.599 ( -5.171 0.603 2.638) 5.836 1.700 ( 1.313 1.800 1.362) 2.611 1.714 ( 1.456 0.363 3.011) 3.364 1.728 ( -0.384 0.810 -0.067) 0.899 1.784 ( -0.162 0.672 -0.155) 0.708 1.815 ( 7.198 -1.588 -6.591) 9.888 1.834 ( 2.389 -0.046 -0.192) 2.397 1.906 ( 2.428 0.456 2.814) 3.745 1.920 ( 0.119 3.395 -1.527) 3.724 1.978 ( -1.588 1.495 -1.399) 2.591 2.029 ( -0.106 2.161 -0.843) 2.322 2.081 ( 1.867 -4.599 -0.598) 4.999 2.169 ( -0.594 -0.774 0.132) 0.985 2.261 ( 2.288 -3.771 -1.010) 4.525 2.268 ( -3.951 0.434 -1.711) 4.328 2.374 ( 0.753 -0.348 -2.982) 3.095 2.473 ( 0.270 -0.598 0.925) 1.134 2.478 ( 1.046 -0.182 -0.594) 1.216 2.500 ( 2.893 1.323 -2.330) 3.943 2.635 ( 2.646 -2.301 -0.208) 3.513 2.727 ( 4.834 0.022 1.245) 4.992 2.873 ( -0.880 -0.136 -0.209) 0.914 2.918 ( -2.102 -1.764 2.912) 4.002 2.926 ( 1.383 2.093 0.594) 2.578 2.991 ( -3.414 0.582 -0.638) 3.522 3.122 ( 0.025 -1.078 1.304) 1.692 3.230 ( -1.128 -2.444 7.748) 8.202 3.270 ( -0.855 3.099 -1.388) 3.502 3.508 ( 11.400 4.610 -2.622) 12.573 3.625 ( 2.491 -0.820 -0.709) 2.717 3.639 ( 1.854 -2.747 -1.263) 3.546 4.062 ( 3.388 -0.437 1.567) 3.758 4.161 ( 1.287 -4.546 3.483) 5.870 4.317 ( 5.515 -3.280 -0.024) 6.417 4.612 ( 10.931 -2.075 0.047) 11.126 4.828 ( -0.650 0.077 -3.475) 3.536 4.901 ( -9.885 -1.269 -9.284) 13.621 5.100 ( 3.516 1.401 8.224) 9.053 5.232 ( 13.990 3.559 -1.540) 14.517 5.490 ( 2.337 -1.157 4.773) 5.439 5.748 ( 3.389 -3.057 6.329) 7.803 6.058 ( 10.912 -0.810 0.490) 10.953 6.317 ( -5.009 2.170 -11.589) 12.811 6.390 ( -11.033 -0.289 4.591) 11.953 6.545 ( -0.007 -16.637 5.215) 17.435 6.782 ( -8.245 3.279 -0.236) 8.876 7.203 ( 7.817 -5.128 -5.531) 10.862 7.498 ( -0.789 4.742 0.837) 4.879 7.521 ( 1.606 2.361 8.070) 8.560 7.576 ( -11.256 -9.127 -0.196) 14.492 7.934 ( -8.344 -3.845 -7.781) 12.039 11.036 ( 1.085 0.207 -1.549) 1.902 11.055 ( -0.296 0.010 0.840) 0.891 12.423 ( -10.236 -2.037 3.573) 11.032 12.680 ( -0.581 -11.623 10.517) 15.686 12.777 ( -6.649 1.038 -3.955) 7.806 13.024 ( -6.966 -3.662 0.697) 7.901 13.035 ( -0.969 0.867 -2.222) 2.574 13.554 ( -3.892 -3.794 -14.039) 15.055 14.181 ( -4.532 4.641 3.598) 7.417 14.319 ( -0.576 -2.854 5.835) 6.521 14.884 ( 6.344 7.496 7.934) 12.625 15.233 ( 21.968 24.523 -13.888) 35.733 16.331 ( 2.382 0.721 1.768) 3.053 16.444 ( 3.272 -0.366 -0.631) 3.352 16.866 ( -3.212 -0.190 -0.303) 3.232 16.924 ( -3.832 2.606 3.463) 5.786 ======================= Grid point 61 (29/56) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -4.468 9.164 10.386) 14.554 0.635 ( 0.415 11.384 6.330) 13.033 0.903 ( -1.242 4.894 -2.336) 5.563 0.987 ( -1.547 2.560 -0.480) 3.029 1.011 ( 3.757 7.709 2.176) 8.847 1.063 ( 3.460 -0.446 -1.348) 3.740 1.104 ( -3.946 0.359 1.127) 4.120 1.129 ( -0.182 -1.691 2.203) 2.783 1.168 ( -2.919 3.118 -1.362) 4.483 1.224 ( -0.309 -0.320 -0.515) 0.681 1.248 ( 0.178 1.969 -3.551) 4.064 1.291 ( 2.453 -1.764 0.030) 3.022 1.321 ( -4.908 0.161 0.965) 5.004 1.420 ( -2.427 1.209 2.175) 3.476 1.461 ( 4.572 4.794 3.263) 7.384 1.497 ( -0.108 2.349 -1.038) 2.570 1.563 ( 4.399 0.721 0.318) 4.469 1.644 ( 3.594 0.129 3.208) 4.819 1.689 ( -0.574 -3.646 -0.480) 3.722 1.708 ( 0.041 0.257 -0.150) 0.300 1.787 ( 1.222 -0.533 2.818) 3.117 1.839 ( 0.455 3.619 3.832) 5.290 1.865 ( 1.911 1.574 -2.490) 3.512 1.882 ( -2.248 -0.926 -2.326) 3.365 1.916 ( 1.686 1.078 -0.866) 2.180 1.937 ( 2.020 0.176 -0.295) 2.049 2.026 ( 0.787 -0.336 -0.235) 0.887 2.058 ( -0.776 0.747 -0.879) 1.390 2.076 ( -1.708 -2.874 -2.592) 4.230 2.115 ( -3.565 1.993 -5.089) 6.525 2.205 ( -2.517 2.513 -4.157) 5.471 2.233 ( 2.069 -2.246 -3.952) 4.994 2.307 ( 4.188 -6.296 -0.347) 7.570 2.395 ( -3.141 -2.433 -1.052) 4.110 2.452 ( -2.480 -0.830 0.511) 2.665 2.528 ( -2.165 0.022 -0.876) 2.335 2.724 ( 3.251 1.379 0.816) 3.624 2.731 ( -1.754 -0.670 2.980) 3.522 2.808 ( -3.773 2.032 1.215) 4.454 2.867 ( 0.196 1.371 2.528) 2.883 3.026 ( 3.470 0.707 2.968) 4.621 3.050 ( 1.780 1.472 1.551) 2.782 3.121 ( 1.332 -0.470 4.875) 5.076 3.202 ( -0.053 -0.036 3.469) 3.470 3.305 ( -1.793 2.454 -2.681) 4.052 3.535 ( -2.173 -7.562 -1.149) 7.952 3.574 ( 0.905 -4.316 0.536) 4.443 3.711 ( 3.753 -7.208 -8.889) 12.043 4.059 ( 2.754 -4.605 2.330) 5.850 4.137 ( -2.188 -4.085 -2.060) 5.071 4.372 ( 4.205 -3.608 1.622) 5.773 4.493 ( -2.626 -5.843 -2.663) 6.937 4.775 ( 3.383 5.520 -1.850) 6.733 4.925 ( -6.983 9.906 -4.932) 13.085 5.162 ( -2.447 -1.631 5.794) 6.498 5.427 ( -4.116 -2.202 3.630) 5.913 5.585 ( 0.124 9.360 0.144) 9.362 5.797 ( 2.028 -2.535 -5.090) 6.037 6.001 ( -1.845 -1.104 6.133) 6.499 6.239 ( -5.230 -4.176 1.923) 6.963 6.355 ( 6.343 3.430 4.992) 8.770 6.447 ( 13.602 1.610 3.352) 14.101 6.712 ( -10.264 2.910 -4.691) 11.655 7.102 ( -8.934 -10.521 -8.254) 16.082 7.294 ( 1.484 -0.460 5.220) 5.447 7.552 ( 2.303 2.969 1.744) 4.142 7.670 ( -1.258 -5.978 0.546) 6.133 7.675 ( 4.147 -1.612 0.456) 4.472 11.043 ( -0.808 0.231 0.313) 0.896 11.063 ( 0.812 -0.251 -0.497) 0.984 12.277 ( -0.513 -0.838 2.013) 2.240 12.372 ( -0.784 -4.042 -0.831) 4.200 12.862 ( 2.351 1.822 6.927) 7.539 12.982 ( 0.680 3.138 2.615) 4.141 13.095 ( 1.898 0.787 -2.762) 3.443 13.314 ( -2.240 -11.115 -10.104) 15.187 14.218 ( -2.185 5.062 4.033) 6.831 14.317 ( -0.603 2.206 2.796) 3.612 15.130 ( -0.061 9.952 5.692) 11.465 15.661 ( 2.373 -3.638 -16.654) 17.211 16.385 ( 0.893 0.365 2.933) 3.087 16.501 ( 0.329 -4.118 1.106) 4.276 16.884 ( -3.067 2.621 -0.184) 4.039 16.903 ( 4.949 1.818 -0.682) 5.316 ======================= Grid point 62 (30/56) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.715 9.070 8.139) 12.207 0.719 ( 5.654 9.265 6.763) 12.788 0.860 ( -2.246 4.482 -4.616) 6.815 0.936 ( -2.024 4.003 -1.689) 4.793 1.007 ( -4.510 1.469 3.654) 5.988 1.064 ( 0.314 3.638 0.650) 3.709 1.108 ( 0.795 -1.805 1.085) 2.251 1.135 ( -2.175 -2.041 -1.915) 3.544 1.176 ( 3.283 -0.546 0.134) 3.331 1.216 ( -1.472 1.197 2.192) 2.899 1.236 ( -0.561 2.640 -2.962) 4.008 1.273 ( 2.496 1.225 -0.666) 2.859 1.369 ( 3.064 0.932 4.295) 5.357 1.405 ( 1.529 -3.020 -2.039) 3.951 1.478 ( -1.864 5.669 -2.420) 6.439 1.535 ( 1.987 -0.900 -1.275) 2.527 1.615 ( -0.277 1.562 -2.289) 2.785 1.690 ( -0.520 -1.907 2.061) 2.855 1.704 ( 1.449 -0.678 2.324) 2.821 1.726 ( -5.079 1.847 -0.213) 5.409 1.763 ( 1.871 2.034 4.665) 5.422 1.852 ( -1.455 1.349 1.963) 2.791 1.862 ( 2.108 0.984 -0.814) 2.465 1.887 ( 4.482 3.713 -0.093) 5.820 1.924 ( -2.352 -0.337 -3.323) 4.085 1.952 ( 0.191 1.330 -1.408) 1.946 2.010 ( -1.993 0.413 -2.048) 2.888 2.020 ( -0.865 -0.528 -1.350) 1.688 2.073 ( 3.110 -2.249 3.440) 5.154 2.087 ( 0.571 0.324 -0.933) 1.141 2.167 ( -1.818 1.164 -0.616) 2.245 2.295 ( -1.272 -3.088 0.565) 3.387 2.313 ( 2.113 -2.350 -5.812) 6.616 2.355 ( -2.313 -0.003 -0.938) 2.496 2.441 ( -4.594 -0.145 0.907) 4.685 2.467 ( 4.534 -3.262 -1.863) 5.888 2.649 ( -6.048 3.647 -0.744) 7.102 2.714 ( -2.097 0.685 -0.598) 2.286 2.802 ( 2.129 -0.530 3.468) 4.104 2.874 ( -0.787 1.122 1.319) 1.902 3.032 ( -1.148 0.140 0.765) 1.386 3.110 ( 0.931 0.638 -0.809) 1.389 3.166 ( 2.694 1.048 3.070) 4.217 3.218 ( -1.306 -1.016 6.133) 6.352 3.259 ( -1.863 2.498 -1.555) 3.483 3.447 ( -4.028 -5.636 -3.244) 7.649 3.585 ( -0.425 -4.370 0.728) 4.451 3.649 ( -6.695 -7.806 -4.189) 11.104 4.041 ( -2.555 -5.830 1.503) 6.540 4.126 ( 2.325 -4.011 -1.363) 4.832 4.351 ( -4.775 -4.759 1.677) 6.947 4.477 ( -3.531 -3.534 -3.446) 6.069 4.748 ( -8.161 6.702 -5.802) 12.049 4.855 ( 3.698 9.136 1.139) 9.922 5.123 ( -7.097 5.991 5.057) 10.575 5.270 ( -5.411 -1.532 2.064) 5.990 5.460 ( -7.172 0.728 1.878) 7.449 5.673 ( -6.418 -1.784 0.384) 6.672 6.057 ( 2.974 0.282 0.240) 2.997 6.215 ( -0.208 -3.275 8.773) 9.367 6.456 ( -5.078 -4.368 -7.372) 9.960 6.566 ( -0.112 -1.891 1.005) 2.145 6.766 ( 10.918 2.669 1.766) 11.377 6.906 ( -2.055 -6.722 -7.206) 10.066 7.377 ( 4.729 2.070 8.668) 10.089 7.614 ( 1.334 0.868 0.828) 1.794 7.720 ( 5.876 2.506 3.123) 7.111 7.807 ( 9.774 -4.866 -6.941) 12.937 11.027 ( -0.496 0.754 -0.358) 0.971 11.069 ( 0.019 -0.418 -0.010) 0.418 12.372 ( 8.350 -1.682 2.436) 8.860 12.442 ( 4.720 -2.166 0.842) 5.261 12.915 ( 3.188 -0.126 0.269) 3.202 13.057 ( 0.146 0.026 1.471) 1.479 13.093 ( 2.262 -1.544 1.001) 2.916 13.324 ( 5.209 -8.554 -9.698) 13.941 14.206 ( 0.387 4.821 5.544) 7.357 14.319 ( 0.263 1.849 4.050) 4.459 15.059 ( -6.877 9.763 2.479) 12.197 15.523 ( -11.318 -1.131 -13.292) 17.494 16.380 ( -1.822 -0.090 2.966) 3.482 16.450 ( -3.699 -3.499 -1.049) 5.198 16.857 ( 0.991 3.635 -0.436) 3.792 17.024 ( 4.307 -1.573 0.978) 4.688 ======================= Grid point 63 (31/56) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 9.057 5.372 2.364) 10.793 0.790 ( 1.072 6.955 -1.752) 7.252 0.897 ( -1.423 5.494 1.591) 5.894 0.908 ( -0.124 3.594 -3.148) 4.780 0.931 ( 3.562 3.281 3.510) 5.982 1.078 ( -1.580 0.272 0.978) 1.878 1.090 ( -1.812 -4.047 1.422) 4.657 1.104 ( 0.973 1.936 -0.586) 2.245 1.178 ( -1.860 4.792 -1.268) 5.295 1.208 ( -1.457 1.769 -2.363) 3.292 1.239 ( 1.274 1.358 -2.538) 3.148 1.273 ( -2.983 -0.420 -2.170) 3.713 1.397 ( 1.142 0.612 2.550) 2.860 1.453 ( 4.914 0.263 -1.590) 5.171 1.479 ( 0.652 -1.341 2.346) 2.780 1.553 ( 0.062 -2.323 -1.272) 2.649 1.572 ( -1.526 1.839 -2.011) 3.123 1.647 ( -1.286 -0.558 -2.209) 2.616 1.677 ( -1.071 0.374 0.680) 1.323 1.765 ( -5.443 -1.710 -3.008) 6.450 1.780 ( 2.514 1.099 3.542) 4.481 1.816 ( -1.289 1.757 3.139) 3.821 1.830 ( 1.428 -2.283 1.226) 2.959 1.899 ( -4.062 0.708 2.843) 5.008 1.931 ( -0.540 -2.517 -4.385) 5.085 1.945 ( 0.201 2.290 0.067) 2.300 1.991 ( 1.003 1.443 3.567) 3.976 2.026 ( 2.062 4.338 0.029) 4.803 2.099 ( -3.054 2.290 -0.458) 3.844 2.120 ( 2.185 -2.392 1.825) 3.718 2.187 ( 0.488 -1.859 2.351) 3.037 2.258 ( 2.062 1.985 4.139) 5.032 2.283 ( -3.093 -0.770 0.474) 3.222 2.374 ( 0.178 1.481 -2.217) 2.672 2.436 ( 5.151 -1.323 -3.922) 6.608 2.501 ( -3.380 2.845 -0.777) 4.486 2.537 ( -1.306 2.092 -5.477) 6.006 2.697 ( 0.726 -0.179 -4.170) 4.237 2.805 ( -2.061 -1.697 1.993) 3.331 2.872 ( 0.482 0.018 0.705) 0.854 3.010 ( -0.487 -0.232 0.858) 1.014 3.098 ( -2.326 1.259 -0.052) 2.645 3.154 ( 1.048 -1.235 -1.582) 2.264 3.226 ( 0.544 -1.349 2.163) 2.606 3.246 ( -0.936 -0.361 3.206) 3.359 3.384 ( -2.286 -1.731 -0.879) 3.000 3.527 ( -3.790 -3.581 -0.940) 5.298 3.563 ( -1.668 -3.993 1.250) 4.505 4.005 ( -2.350 -5.292 -2.334) 6.243 4.088 ( -7.961 -7.190 -5.728) 12.161 4.263 ( -0.248 -2.079 1.111) 2.371 4.344 ( -5.506 -2.997 -2.380) 6.706 4.673 ( 2.954 3.542 3.163) 5.592 4.831 ( -10.660 9.286 1.173) 14.186 4.944 ( 1.091 4.659 7.346) 8.767 5.252 ( -7.968 2.054 -2.229) 8.525 5.412 ( 7.133 -3.032 9.947) 12.610 5.634 ( 0.345 -2.538 -4.985) 5.605 6.015 ( -8.097 1.862 -5.671) 10.059 6.149 ( -2.916 -3.326 5.441) 7.012 6.324 ( -6.865 -7.586 -5.663) 11.693 6.511 ( -2.295 -12.650 1.192) 12.912 6.823 ( 2.005 -1.090 1.263) 2.609 7.081 ( 8.139 1.395 -0.983) 8.316 7.497 ( 5.618 5.050 6.342) 9.863 7.681 ( 3.604 -0.281 2.013) 4.137 7.815 ( 3.100 5.114 0.120) 5.982 8.013 ( 8.912 -3.489 -7.489) 12.152 11.028 ( 0.633 0.877 -0.506) 1.194 11.069 ( -0.105 -0.368 -0.200) 0.431 12.504 ( 1.805 -0.477 3.540) 4.002 12.571 ( 7.551 -3.040 3.521) 8.869 12.981 ( -1.495 0.729 -3.875) 4.217 13.004 ( 2.977 -0.855 -4.083) 5.125 13.194 ( 3.541 -2.694 4.503) 6.330 13.441 ( 5.950 -9.263 -7.983) 13.599 14.249 ( 2.212 4.446 8.007) 9.422 14.347 ( 1.487 1.487 8.254) 8.518 14.900 ( -6.888 8.154 -3.732) 11.308 15.228 ( -13.081 1.398 -11.235) 17.301 16.340 ( -1.824 0.592 1.424) 2.388 16.383 ( -2.268 -1.994 -1.220) 3.257 16.906 ( 2.944 3.029 1.147) 4.377 17.065 ( -0.220 -1.107 1.147) 1.609 ======================= Grid point 64 (32/56) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -7.910 2.204 -2.450) 8.569 0.820 ( 3.475 6.840 -5.007) 9.162 0.852 ( 4.875 3.640 2.698) 6.656 0.920 ( -0.333 3.167 -3.119) 4.458 1.006 ( -0.453 5.145 4.008) 6.538 1.048 ( 0.004 0.996 2.183) 2.399 1.085 ( 4.607 4.004 -1.480) 6.281 1.132 ( -1.203 0.178 -4.167) 4.341 1.157 ( 2.613 -0.013 2.389) 3.540 1.201 ( -3.312 2.513 -1.030) 4.284 1.233 ( 4.506 1.497 -2.387) 5.315 1.261 ( 0.716 0.986 -2.925) 3.169 1.432 ( -0.468 -1.209 1.540) 2.013 1.474 ( 0.711 0.254 1.234) 1.447 1.521 ( -4.455 -3.375 -1.710) 5.845 1.529 ( 1.021 -0.148 0.807) 1.310 1.565 ( -0.363 -0.169 0.125) 0.419 1.622 ( -0.287 -0.657 0.042) 0.718 1.641 ( -0.316 -2.653 -0.254) 2.684 1.679 ( 0.586 -1.242 -1.171) 1.805 1.766 ( -3.174 0.199 2.439) 4.007 1.793 ( -4.885 0.302 -0.102) 4.896 1.826 ( -1.369 2.783 3.859) 4.951 1.888 ( 1.782 0.132 0.617) 1.890 1.927 ( 0.506 2.537 -0.505) 2.636 1.942 ( -2.302 0.558 0.794) 2.498 2.024 ( 4.752 0.293 2.818) 5.532 2.055 ( -1.275 1.758 1.454) 2.614 2.100 ( -4.046 -1.354 2.772) 5.088 2.112 ( 3.136 -0.827 0.529) 3.286 2.167 ( 0.557 2.183 -0.624) 2.338 2.224 ( 0.399 -3.006 1.245) 3.277 2.312 ( -3.969 5.039 -1.361) 6.557 2.354 ( -0.241 1.036 -0.961) 1.433 2.423 ( 1.927 0.531 0.204) 2.009 2.534 ( 1.602 1.764 -7.019) 7.412 2.562 ( 3.324 2.153 0.483) 3.990 2.721 ( 0.683 1.863 -3.627) 4.134 2.798 ( 3.381 -4.951 -2.174) 6.378 2.849 ( -2.297 -2.117 -1.390) 3.420 3.021 ( 0.637 -0.430 4.453) 4.519 3.101 ( 1.415 0.805 1.379) 2.134 3.157 ( -4.002 1.319 0.295) 4.225 3.183 ( -1.169 -1.529 -0.996) 2.167 3.275 ( 2.311 -1.690 1.499) 3.231 3.334 ( -1.884 -1.244 -0.292) 2.276 3.490 ( 0.445 -1.429 0.609) 1.616 3.538 ( -0.575 -3.029 0.232) 3.092 3.901 ( -3.483 -3.919 -5.389) 7.518 3.972 ( -0.238 -6.570 -5.150) 8.351 4.282 ( -1.509 -0.995 0.436) 1.860 4.313 ( 2.200 -2.147 -0.769) 3.168 4.703 ( 0.778 4.986 4.235) 6.588 4.817 ( 5.848 -1.462 3.875) 7.166 5.006 ( 2.977 2.173 10.391) 11.025 5.133 ( 0.153 -0.822 3.820) 3.911 5.495 ( -7.588 1.955 0.204) 7.839 5.593 ( 1.501 3.377 -10.578) 11.205 5.847 ( -2.174 -6.953 0.180) 7.287 6.150 ( -4.999 -2.184 -5.866) 8.011 6.292 ( 10.888 -0.944 5.755) 12.352 6.433 ( -4.555 -11.597 -1.389) 12.536 6.904 ( 3.915 -4.328 4.305) 7.252 7.140 ( -1.375 -4.175 -3.106) 5.382 7.601 ( 2.018 7.956 5.304) 9.773 7.721 ( -0.584 1.410 4.180) 4.450 7.824 ( -2.778 5.049 -2.370) 6.231 8.102 ( 0.430 -4.237 -7.591) 8.705 11.044 ( 0.732 0.508 -0.043) 0.892 11.060 ( -0.668 -0.034 -0.785) 1.031 12.534 ( 0.756 -0.077 5.211) 5.266 12.655 ( -0.507 -4.230 2.403) 4.891 12.953 ( 0.211 0.790 -3.334) 3.433 13.050 ( 0.625 1.429 -4.451) 4.716 13.224 ( -1.861 -3.269 4.056) 5.532 13.501 ( 1.009 -9.845 -8.087) 12.781 14.300 ( 0.410 4.641 10.278) 11.284 14.398 ( 0.944 0.213 12.477) 12.515 14.811 ( -0.364 7.111 -8.156) 10.827 15.028 ( -1.554 3.050 -12.776) 13.226 16.318 ( -0.568 1.292 0.865) 1.655 16.358 ( 0.159 -1.247 -0.946) 1.573 16.959 ( 1.280 1.970 2.594) 3.500 17.036 ( -2.123 0.178 0.061) 2.132 ======================= Grid point 65 (33/56) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -6.048 7.599 -0.330) 9.717 0.810 ( -3.630 8.521 0.034) 9.262 0.896 ( 0.372 4.186 -2.444) 4.861 0.962 ( 2.735 0.166 3.039) 4.092 1.036 ( -0.269 1.565 1.993) 2.549 1.053 ( 1.018 3.581 1.581) 4.045 1.114 ( 0.711 -0.104 -1.539) 1.699 1.121 ( -0.454 -0.537 -0.459) 0.840 1.173 ( 1.187 1.045 1.390) 2.105 1.205 ( 0.115 3.756 -2.808) 4.691 1.292 ( 2.622 -0.956 0.916) 2.938 1.345 ( -0.202 5.155 -0.087) 5.160 1.385 ( -0.388 -4.677 0.546) 4.725 1.410 ( 0.280 1.345 -1.083) 1.749 1.473 ( -3.635 0.781 -3.361) 5.012 1.545 ( 0.959 -0.683 -1.031) 1.565 1.568 ( -0.922 -0.350 -3.297) 3.441 1.607 ( 1.538 1.085 -2.144) 2.853 1.661 ( -1.965 -2.941 -1.138) 3.716 1.687 ( 0.302 -1.274 0.279) 1.339 1.732 ( -1.496 0.502 2.953) 3.348 1.744 ( 3.099 0.730 4.763) 5.729 1.798 ( -1.482 0.544 0.122) 1.583 1.885 ( -0.630 0.172 -0.272) 0.708 1.929 ( -1.222 4.598 0.920) 4.846 1.937 ( 0.669 0.274 1.549) 1.710 2.000 ( -2.767 0.191 2.660) 3.843 2.044 ( -2.443 -0.215 -2.032) 3.185 2.068 ( -2.289 2.979 -0.705) 3.823 2.113 ( 1.824 1.090 4.067) 4.589 2.158 ( 0.712 0.403 -1.161) 1.421 2.275 ( 0.999 -3.838 3.278) 5.145 2.348 ( 5.887 -1.081 0.295) 5.993 2.386 ( 4.314 1.394 -2.148) 5.016 2.493 ( 1.422 1.582 -1.680) 2.710 2.507 ( -1.305 -0.143 -1.513) 2.003 2.615 ( 1.327 3.776 -2.716) 4.837 2.692 ( -1.373 0.415 -4.626) 4.843 2.837 ( 0.824 -4.713 1.805) 5.114 2.879 ( 3.201 -1.332 -3.744) 5.103 3.004 ( -3.861 0.023 2.689) 4.705 3.077 ( -0.456 2.501 -0.247) 2.554 3.115 ( -1.147 -0.451 3.519) 3.729 3.173 ( -0.952 -1.864 -0.140) 2.098 3.272 ( 1.893 0.164 1.959) 2.729 3.375 ( 2.715 -1.919 -0.622) 3.383 3.536 ( 2.767 -1.744 1.749) 3.709 3.552 ( 2.173 -2.701 -1.200) 3.669 3.920 ( 3.955 -2.793 -1.100) 4.965 4.010 ( 4.300 -7.647 -5.284) 10.242 4.237 ( -1.393 0.360 -0.183) 1.451 4.376 ( 4.284 -3.437 -1.078) 5.597 4.802 ( 3.993 2.554 2.633) 5.422 4.915 ( 7.803 3.261 2.162) 8.729 5.117 ( 2.999 0.353 -0.088) 3.021 5.246 ( 6.411 3.266 8.214) 10.920 5.355 ( -0.904 3.163 2.904) 4.388 5.641 ( 1.690 -2.254 0.998) 2.989 5.747 ( -1.170 -6.498 -4.981) 8.270 6.247 ( 9.814 -4.326 -5.480) 12.044 6.275 ( -5.860 -11.280 -1.471) 12.796 6.554 ( 6.603 -0.474 3.504) 7.490 6.960 ( 1.864 -0.203 4.718) 5.077 7.063 ( -4.294 -1.638 -5.264) 6.988 7.583 ( -3.864 5.703 9.387) 11.643 7.667 ( -5.823 0.126 3.015) 6.558 7.696 ( -7.673 4.402 -3.253) 9.426 8.005 ( -7.933 -7.233 -7.950) 13.359 11.042 ( -0.593 0.326 -1.107) 1.298 11.055 ( 0.155 0.065 0.402) 0.436 12.554 ( -0.406 -2.604 5.579) 6.171 12.567 ( -7.522 -3.066 2.330) 8.450 12.935 ( -3.703 0.831 -5.091) 6.350 13.023 ( -0.376 -0.897 -4.593) 4.695 13.138 ( -5.980 -0.626 4.085) 7.269 13.470 ( -2.252 -9.376 -6.559) 11.662 14.300 ( -1.620 3.759 8.741) 9.651 14.390 ( -3.421 1.361 9.117) 9.833 14.872 ( 7.368 7.881 -3.369) 11.303 15.151 ( 13.736 5.205 -13.316) 19.827 16.319 ( 0.684 1.456 0.528) 1.693 16.381 ( 1.969 -0.701 -0.382) 2.125 16.940 ( -3.078 0.986 1.538) 3.580 17.007 ( -1.080 1.031 0.951) 1.770 ======================= Grid point 66 (34/56) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 2.418 12.410 5.579) 13.819 0.710 ( -5.835 9.650 5.843) 12.701 0.898 ( 1.321 2.717 -1.795) 3.514 0.989 ( -1.202 3.816 0.989) 4.121 1.005 ( -0.743 3.534 2.064) 4.160 1.057 ( -1.933 0.815 -1.460) 2.556 1.119 ( 0.004 0.626 -0.256) 0.676 1.173 ( 1.245 -0.314 1.667) 2.104 1.182 ( 1.492 -1.115 0.047) 1.864 1.196 ( 0.514 1.018 2.000) 2.302 1.267 ( -2.451 0.193 1.805) 3.050 1.336 ( 1.912 3.211 2.452) 4.470 1.352 ( -5.217 -0.095 -7.547) 9.175 1.421 ( -1.001 1.674 0.093) 1.953 1.475 ( 3.389 1.846 0.700) 3.922 1.478 ( -4.481 4.885 -0.234) 6.633 1.533 ( -1.215 0.337 -3.565) 3.781 1.624 ( -1.433 0.698 1.779) 2.388 1.683 ( 1.885 -2.030 1.041) 2.960 1.705 ( -0.381 -3.006 1.075) 3.215 1.750 ( 3.839 1.714 0.536) 4.239 1.769 ( 3.929 -2.101 -5.672) 7.213 1.830 ( 0.868 2.079 2.231) 3.171 1.853 ( 1.318 1.388 -1.412) 2.378 1.925 ( -0.194 -0.135 1.743) 1.759 1.945 ( -2.122 -0.234 -1.165) 2.432 1.992 ( 1.691 -0.951 3.955) 4.406 2.042 ( 1.411 4.754 -0.511) 4.985 2.048 ( 1.657 -2.014 -0.743) 2.711 2.149 ( 1.080 -0.313 0.561) 1.257 2.206 ( 3.239 -0.775 -1.029) 3.486 2.270 ( -2.477 -1.291 -0.380) 2.819 2.372 ( -6.977 -0.566 -6.472) 9.533 2.423 ( -0.348 -3.624 0.620) 3.693 2.471 ( 2.812 -0.484 -0.610) 2.918 2.532 ( 0.487 1.446 -2.587) 3.004 2.634 ( 3.140 2.895 -1.787) 4.630 2.727 ( 3.486 0.152 1.602) 3.840 2.827 ( -1.905 -2.175 2.752) 3.991 2.912 ( -1.798 -0.694 1.888) 2.697 2.951 ( 1.395 1.365 0.277) 1.971 3.032 ( -1.314 3.652 0.805) 3.964 3.127 ( -1.151 -0.837 3.849) 4.104 3.183 ( 1.610 -1.170 1.984) 2.810 3.328 ( 0.840 2.496 -0.263) 2.646 3.462 ( 7.083 -6.507 -1.595) 9.750 3.574 ( 0.397 -4.452 1.513) 4.719 3.612 ( 4.057 -2.462 -4.409) 6.478 3.997 ( 2.973 -3.544 1.720) 4.936 4.093 ( 4.034 -5.236 -2.306) 7.001 4.263 ( 3.977 -0.467 0.440) 4.029 4.508 ( 6.515 -7.990 -1.177) 10.377 4.773 ( -4.119 2.077 -5.269) 7.003 5.041 ( -1.750 10.826 2.557) 11.261 5.205 ( -1.713 5.952 -2.437) 6.656 5.335 ( 14.135 2.796 9.529) 17.275 5.472 ( 4.429 2.420 -6.049) 7.878 5.635 ( 5.736 -6.399 4.015) 9.486 6.000 ( 17.395 -6.734 9.117) 20.762 6.118 ( -7.436 -13.456 0.180) 15.375 6.356 ( -2.203 1.547 -7.667) 8.126 6.536 ( -6.377 0.524 1.310) 6.531 6.885 ( -8.193 6.402 -1.330) 10.482 7.123 ( 8.032 -1.970 -4.478) 9.405 7.421 ( -13.426 -3.757 8.635) 16.399 7.560 ( -3.085 2.724 -1.239) 4.298 7.612 ( 1.179 2.919 6.383) 7.117 7.790 ( -9.761 -10.019 -7.066) 15.671 11.041 ( 0.821 0.327 -0.902) 1.263 11.054 ( -0.239 -0.049 0.551) 0.603 12.381 ( -8.838 -1.935 2.514) 9.390 12.494 ( -7.346 -7.072 0.807) 10.229 12.827 ( -1.990 3.713 1.232) 4.389 13.026 ( -3.544 2.499 2.268) 4.893 13.053 ( 1.517 -0.165 -3.480) 3.800 13.396 ( -3.513 -10.247 -6.884) 12.835 14.267 ( -2.760 4.090 5.290) 7.234 14.337 ( -2.113 2.748 4.512) 5.690 15.042 ( 7.149 9.167 3.752) 12.216 15.468 ( 16.730 2.003 -15.163) 22.668 16.348 ( 1.818 1.119 0.990) 2.353 16.438 ( 3.525 -0.637 1.288) 3.806 16.879 ( -2.051 1.745 -0.369) 2.718 16.963 ( -3.435 1.119 1.307) 3.842 ======================= Grid point 67 (35/56) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -4.283 10.660 7.293) 13.608 0.835 ( -0.245 8.982 4.239) 9.935 0.957 ( 0.038 -3.175 1.848) 3.674 0.978 ( -0.656 -4.739 1.016) 4.891 1.000 ( -2.473 -2.410 1.192) 3.653 1.032 ( -0.836 -2.167 0.590) 2.397 1.101 ( 2.424 2.174 1.514) 3.591 1.145 ( -0.178 -1.089 3.114) 3.304 1.221 ( 1.306 1.618 0.027) 2.079 1.238 ( 0.383 4.446 -4.566) 6.385 1.255 ( 3.117 -1.048 -3.123) 4.535 1.286 ( -0.362 1.601 -5.565) 5.802 1.370 ( -3.038 1.401 1.816) 3.806 1.437 ( 0.059 -3.836 -0.408) 3.858 1.474 ( -6.583 3.173 -1.429) 7.446 1.547 ( -0.836 -2.528 0.566) 2.722 1.584 ( -0.423 3.784 1.793) 4.209 1.622 ( 1.967 -0.286 1.369) 2.413 1.704 ( 3.215 0.800 -1.599) 3.679 1.727 ( 5.030 -1.449 -3.158) 6.113 1.753 ( 1.922 2.929 5.478) 6.502 1.833 ( 0.764 -4.050 2.097) 4.624 1.868 ( 1.014 1.065 0.139) 1.477 1.890 ( 2.565 -0.407 -1.101) 2.821 1.931 ( 0.854 1.630 0.535) 1.916 1.971 ( 2.893 0.670 1.598) 3.372 2.013 ( -1.068 -0.041 1.729) 2.033 2.040 ( -0.557 0.600 0.978) 1.275 2.083 ( -1.533 1.095 -1.121) 2.192 2.130 ( 1.654 -0.493 -0.354) 1.762 2.157 ( -1.758 -2.739 -5.945) 6.778 2.208 ( 2.741 -4.884 -1.722) 5.859 2.282 ( -3.310 4.469 -4.014) 6.859 2.365 ( -5.529 -2.957 -3.346) 7.107 2.451 ( -0.843 2.842 0.600) 3.024 2.511 ( -1.366 -2.103 -1.391) 2.868 2.749 ( -1.541 1.640 2.555) 3.405 2.761 ( -0.191 1.108 3.291) 3.478 2.859 ( 1.114 2.657 2.051) 3.537 2.890 ( 0.810 0.081 2.353) 2.490 3.041 ( 3.225 1.536 1.332) 3.813 3.067 ( -1.202 -0.221 0.921) 1.530 3.128 ( 2.490 2.320 1.796) 3.848 3.190 ( -0.552 -1.922 1.494) 2.496 3.311 ( -0.487 -0.775 -1.990) 2.191 3.369 ( -0.532 -7.360 -1.076) 7.457 3.543 ( -0.188 1.733 0.290) 1.767 3.607 ( 0.508 -4.148 -3.951) 5.751 4.015 ( 1.463 0.387 0.023) 1.514 4.062 ( 0.495 -3.822 -2.644) 4.673 4.330 ( 1.060 0.107 0.679) 1.263 4.382 ( -1.119 -4.947 -1.133) 5.197 4.909 ( 4.227 7.786 1.283) 8.952 5.057 ( 1.763 -6.779 6.610) 9.631 5.155 ( -9.710 11.331 -7.892) 16.881 5.344 ( -7.013 -7.274 -2.539) 10.418 5.760 ( -0.014 7.571 -0.136) 7.572 5.817 ( 2.993 2.038 -3.912) 5.331 5.973 ( 3.026 0.461 9.440) 9.924 6.087 ( -0.198 -9.198 8.476) 12.510 6.422 ( 7.318 2.884 -2.571) 8.275 6.463 ( 8.515 -0.901 -0.606) 8.584 6.795 ( -10.909 5.786 -4.147) 13.026 6.925 ( -12.008 -7.896 -4.948) 15.199 7.330 ( 1.627 4.622 -0.099) 4.901 7.470 ( 1.413 -9.437 -4.062) 10.371 7.634 ( 2.705 3.270 6.580) 7.830 7.677 ( 3.032 -1.012 5.919) 6.727 11.050 ( -0.268 0.390 0.092) 0.482 11.057 ( 0.310 -0.390 -0.217) 0.543 12.275 ( -0.111 0.786 0.721) 1.073 12.308 ( 0.146 -2.620 -0.439) 2.661 12.944 ( -0.083 6.526 1.446) 6.684 13.042 ( 0.723 2.726 0.355) 2.843 13.087 ( 3.523 -1.855 -2.160) 4.530 13.107 ( -3.403 -9.446 -4.273) 10.912 14.305 ( -1.734 3.756 4.949) 6.451 14.345 ( -1.178 -0.142 4.381) 4.539 15.329 ( 0.731 10.717 -1.470) 10.842 15.526 ( 1.379 -9.470 -8.832) 13.023 16.400 ( 0.086 1.349 2.186) 2.570 16.438 ( -0.501 -2.617 1.694) 3.157 16.921 ( -0.850 1.157 -0.767) 1.628 16.927 ( 1.982 0.539 -0.898) 2.242 ======================= Grid point 68 (36/56) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -0.719 10.876 6.100) 12.491 0.864 ( 2.313 3.841 5.433) 7.044 0.936 ( -2.969 -4.277 0.686) 5.252 0.945 ( -1.363 -0.903 4.502) 4.790 0.981 ( 0.794 0.608 -0.681) 1.209 1.019 ( -0.276 -1.272 0.423) 1.369 1.117 ( -1.167 0.793 0.779) 1.612 1.139 ( -1.096 -1.486 -1.063) 2.131 1.189 ( -0.654 3.751 -1.352) 4.040 1.251 ( -0.523 -0.078 -1.223) 1.332 1.285 ( 2.326 1.506 -6.044) 6.649 1.339 ( -2.163 5.803 -1.717) 6.426 1.347 ( 2.621 -1.976 -1.712) 3.702 1.386 ( 1.972 2.917 3.716) 5.119 1.458 ( 0.398 -5.363 1.182) 5.506 1.497 ( -2.011 -5.803 -1.766) 6.391 1.637 ( 2.988 2.143 0.427) 3.701 1.674 ( 2.947 -1.519 2.524) 4.167 1.724 ( -0.504 4.229 -2.839) 5.118 1.752 ( -0.008 1.900 1.607) 2.489 1.815 ( -2.613 2.074 -4.014) 5.219 1.848 ( -0.915 -0.951 -2.173) 2.543 1.856 ( 0.419 -2.448 3.661) 4.424 1.908 ( -2.835 -1.195 -1.555) 3.447 1.950 ( -2.063 0.103 -2.110) 2.952 1.982 ( -2.816 -0.584 0.431) 2.908 1.993 ( 1.609 -1.019 2.398) 3.062 2.007 ( -0.133 -0.451 4.169) 4.196 2.105 ( 1.916 6.460 -0.971) 6.808 2.116 ( 5.826 4.960 2.520) 8.056 2.198 ( -0.572 -0.526 -2.138) 2.275 2.254 ( 0.506 -1.705 -1.446) 2.292 2.280 ( 2.620 -1.099 -2.214) 3.602 2.326 ( 3.854 -6.114 -0.816) 7.273 2.399 ( -2.099 2.105 -0.178) 2.978 2.445 ( -3.149 -1.040 -1.118) 3.500 2.711 ( -2.898 2.328 -0.433) 3.743 2.738 ( -3.289 0.093 3.050) 4.486 2.839 ( -1.526 4.749 0.336) 5.000 2.896 ( -0.883 0.195 1.348) 1.624 3.041 ( -0.792 0.619 0.658) 1.202 3.090 ( -0.290 -3.948 1.685) 4.303 3.169 ( 0.223 1.509 -0.641) 1.654 3.205 ( 1.910 -1.097 2.703) 3.487 3.292 ( -2.321 0.770 -2.625) 3.588 3.324 ( -1.684 -4.391 -1.109) 4.832 3.513 ( -1.670 -1.085 1.141) 2.295 3.548 ( -4.168 -3.758 -1.816) 5.899 3.996 ( -2.440 0.981 0.033) 2.630 4.050 ( -0.830 -3.918 -1.576) 4.305 4.304 ( -3.114 0.484 -0.094) 3.153 4.370 ( -2.220 -5.838 -2.299) 6.656 4.908 ( -8.457 8.274 -5.179) 12.915 4.987 ( -2.653 2.214 -0.027) 3.455 5.165 ( 5.405 0.741 9.505) 10.960 5.224 ( -2.056 -3.706 0.435) 4.261 5.537 ( -14.106 6.824 -1.658) 15.757 5.644 ( -12.188 -2.835 -2.759) 12.814 6.073 ( 4.728 1.854 7.678) 9.205 6.137 ( 4.605 -4.399 10.887) 12.613 6.377 ( -12.645 -1.230 -8.688) 15.391 6.445 ( -13.941 -7.240 -7.063) 17.224 6.841 ( 7.264 3.386 1.156) 8.097 6.873 ( 11.973 0.138 -1.881) 12.120 7.440 ( 7.362 4.905 2.366) 9.157 7.563 ( 4.501 -6.873 -0.384) 8.225 7.737 ( 8.779 2.048 0.313) 9.020 7.772 ( 5.545 -0.746 2.605) 6.172 11.043 ( -0.190 0.873 -0.160) 0.908 11.058 ( -0.033 -0.712 -0.032) 0.714 12.362 ( 7.371 0.778 0.702) 7.446 12.396 ( 6.720 -2.432 -0.374) 7.156 12.926 ( 0.002 2.350 0.386) 2.382 13.004 ( -3.580 -5.103 -3.193) 7.003 13.122 ( 4.832 3.845 1.026) 6.260 13.202 ( 5.894 -4.709 -3.381) 8.267 14.295 ( 0.013 3.999 6.083) 7.280 14.340 ( -0.043 -0.457 5.834) 5.852 15.250 ( -7.440 10.011 -2.991) 12.827 15.426 ( -8.754 -7.972 -8.821) 14.765 16.382 ( -1.844 0.477 2.039) 2.790 16.402 ( -2.489 -1.656 0.811) 3.098 16.928 ( 1.567 3.584 -0.525) 3.946 16.987 ( 2.963 -2.493 -0.009) 3.873 ======================= Grid point 69 (37/56) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 4.014 6.786 3.953) 8.820 0.879 ( -2.787 -2.289 1.094) 3.769 0.928 ( 3.395 2.989 3.839) 5.932 0.958 ( 0.824 1.386 0.710) 1.762 1.011 ( 2.592 1.167 -0.146) 2.846 1.048 ( 2.318 -0.451 1.698) 2.908 1.088 ( 0.023 1.931 -0.921) 2.140 1.110 ( -0.708 0.007 -1.589) 1.740 1.195 ( -0.074 -1.763 -1.317) 2.202 1.211 ( -1.901 -2.612 -2.166) 3.889 1.300 ( 1.094 4.988 -2.197) 5.559 1.329 ( -1.525 6.643 -3.226) 7.541 1.394 ( 0.638 -2.693 -1.183) 3.010 1.429 ( 1.950 -0.403 4.639) 5.048 1.458 ( 1.657 -2.245 1.154) 3.019 1.512 ( 1.390 -4.274 -0.344) 4.508 1.586 ( -4.356 3.464 -3.700) 6.684 1.665 ( -4.914 -3.850 -0.503) 6.262 1.683 ( -2.875 3.164 -4.826) 6.448 1.742 ( -3.297 -0.460 -3.774) 5.032 1.762 ( 0.708 0.842 -1.010) 1.493 1.815 ( 0.296 -2.421 -0.167) 2.445 1.849 ( 0.247 2.878 4.997) 5.772 1.890 ( 1.218 -0.740 0.934) 1.704 1.920 ( -1.874 1.026 1.296) 2.498 1.957 ( 1.659 -2.070 -0.166) 2.658 2.011 ( -0.979 0.961 3.598) 3.850 2.043 ( 0.657 -2.987 4.349) 5.317 2.127 ( -0.025 4.567 1.396) 4.776 2.154 ( -0.508 1.101 -1.121) 1.651 2.193 ( -2.281 2.445 0.041) 3.345 2.256 ( -3.904 -2.011 3.249) 5.463 2.311 ( 4.223 2.311 -1.028) 4.922 2.361 ( -0.444 -2.635 -2.881) 3.930 2.441 ( 6.968 2.018 0.472) 7.270 2.484 ( 3.519 -2.475 -2.332) 4.893 2.625 ( -3.658 5.803 -1.431) 7.007 2.693 ( 0.115 -0.836 -1.554) 1.768 2.800 ( -2.958 1.242 1.462) 3.526 2.864 ( -2.271 -3.181 -0.599) 3.954 3.025 ( -0.206 1.633 0.027) 1.646 3.060 ( 0.101 -2.036 0.467) 2.091 3.191 ( 1.154 3.443 -0.637) 3.687 3.217 ( -0.988 1.144 -0.524) 1.599 3.238 ( -1.691 -0.882 0.838) 2.083 3.301 ( -1.522 -5.947 -0.096) 6.140 3.476 ( -1.564 -1.040 0.832) 2.054 3.494 ( -1.289 -2.699 0.973) 3.145 3.932 ( -4.327 -1.239 -2.210) 5.014 3.969 ( -7.101 -4.658 -3.352) 9.131 4.245 ( -0.784 0.403 -0.679) 1.113 4.281 ( -2.945 -3.154 -2.225) 4.855 4.802 ( 0.248 8.451 1.845) 8.654 4.939 ( 0.048 -4.543 4.780) 6.595 5.032 ( -12.624 10.660 1.739) 16.613 5.210 ( -10.748 -7.294 2.592) 13.245 5.458 ( 9.994 7.276 2.392) 12.591 5.578 ( 4.664 -4.129 -1.416) 6.388 6.017 ( -16.997 -0.958 -5.769) 17.975 6.086 ( -10.787 -8.713 -7.941) 15.979 6.181 ( 4.144 4.340 6.727) 9.014 6.322 ( 2.919 -8.896 4.830) 10.535 6.898 ( -0.823 7.091 0.194) 7.141 7.032 ( 1.874 -5.818 -0.142) 6.114 7.605 ( 7.590 5.038 3.054) 9.608 7.668 ( 5.651 -1.664 1.277) 6.028 7.894 ( 5.200 2.996 -0.717) 6.043 7.944 ( 8.237 -3.007 -3.800) 9.557 11.045 ( 0.403 0.872 -0.240) 0.990 11.060 ( 0.120 -0.617 -0.094) 0.635 12.503 ( 3.991 0.671 -0.139) 4.049 12.528 ( 5.591 -1.748 0.465) 5.876 12.956 ( -0.163 -1.116 -2.273) 2.537 12.970 ( 3.518 -2.523 -0.954) 4.432 13.210 ( 3.005 3.980 1.120) 5.111 13.305 ( 4.107 -5.675 -3.319) 7.752 14.327 ( 1.626 3.418 8.837) 9.613 14.366 ( 1.101 -0.374 9.365) 9.437 15.057 ( -8.606 7.953 -6.920) 13.609 15.186 ( -10.972 -5.105 -10.047) 15.729 16.350 ( -1.271 0.423 1.457) 1.979 16.359 ( -1.528 -0.693 0.683) 1.811 16.969 ( 1.957 3.442 0.277) 3.970 17.029 ( 0.896 -2.657 0.289) 2.819 ======================= Grid point 70 (38/56) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -3.496 3.413 1.014) 4.990 0.854 ( 1.637 -1.926 2.170) 3.331 0.952 ( 0.758 5.272 -4.827) 7.188 1.024 ( -2.266 3.119 -2.050) 4.366 1.043 ( 1.719 0.793 1.023) 2.152 1.070 ( 2.960 1.179 3.734) 4.909 1.100 ( -0.763 -1.668 -1.531) 2.389 1.128 ( 2.503 -1.146 -3.646) 4.568 1.186 ( 2.506 2.948 3.570) 5.265 1.235 ( 1.424 -1.578 -0.483) 2.179 1.275 ( -1.437 5.188 0.233) 5.388 1.302 ( -0.539 3.740 -3.349) 5.049 1.397 ( 0.675 -2.624 -0.384) 2.736 1.418 ( -2.727 -5.818 -2.020) 6.736 1.510 ( 1.641 1.324 3.390) 3.992 1.527 ( 1.100 -0.967 -0.309) 1.497 1.558 ( -0.390 1.105 1.160) 1.649 1.593 ( -0.387 -2.215 0.399) 2.283 1.642 ( -1.327 2.673 -3.585) 4.665 1.682 ( -1.629 0.336 -2.783) 3.242 1.737 ( -2.582 -0.706 -1.596) 3.116 1.781 ( -1.824 -2.462 1.345) 3.346 1.872 ( -1.194 0.418 1.106) 1.680 1.887 ( -1.432 -0.564 0.895) 1.780 1.973 ( 2.700 2.372 0.157) 3.597 1.975 ( -0.108 2.629 3.526) 4.400 2.016 ( 3.992 -1.672 0.373) 4.344 2.036 ( -1.505 -1.793 2.929) 3.750 2.087 ( -0.835 2.933 2.755) 4.109 2.144 ( -0.781 0.210 2.171) 2.317 2.167 ( -1.169 -0.430 -0.410) 1.312 2.190 ( -1.105 -1.437 2.365) 2.979 2.359 ( 2.087 1.345 -4.833) 5.433 2.395 ( 3.457 -0.602 -2.908) 4.558 2.483 ( -4.349 4.398 0.421) 6.200 2.520 ( 0.405 -1.124 -0.209) 1.213 2.626 ( 3.500 4.272 -0.642) 5.560 2.705 ( -0.972 -3.236 -0.921) 3.502 2.767 ( 2.029 1.377 -1.830) 3.060 2.808 ( -2.733 -2.405 -1.710) 4.022 3.048 ( 0.979 2.620 2.029) 3.455 3.096 ( 1.046 -2.074 1.676) 2.865 3.170 ( -1.639 2.385 -0.862) 3.020 3.205 ( -0.821 2.263 -1.340) 2.755 3.227 ( 1.641 -2.779 1.215) 3.448 3.271 ( -0.961 -4.356 -0.591) 4.499 3.465 ( 0.083 -0.917 1.280) 1.577 3.480 ( -0.048 -2.380 1.325) 2.725 3.832 ( -1.901 -2.240 -4.575) 5.437 3.849 ( -1.548 -4.348 -4.444) 6.406 4.271 ( 1.081 -0.059 0.710) 1.295 4.282 ( 2.001 -1.190 0.051) 2.329 4.844 ( -2.990 8.330 2.383) 9.166 4.877 ( 2.747 5.251 2.953) 6.621 5.005 ( 5.669 -1.640 5.759) 8.246 5.057 ( -0.045 -6.567 2.789) 7.135 5.578 ( -6.072 5.212 -2.688) 8.442 5.683 ( 6.232 -0.375 1.415) 6.402 5.703 ( -9.065 1.461 -6.833) 11.445 5.935 ( -1.116 -15.181 -7.068) 16.783 6.309 ( 5.070 2.191 6.103) 8.231 6.348 ( 0.506 -1.659 6.436) 6.666 6.899 ( 2.238 3.934 0.774) 4.592 7.019 ( -0.733 -7.393 -2.607) 7.874 7.720 ( 1.653 3.739 3.924) 5.666 7.745 ( 0.243 0.503 3.632) 3.675 7.924 ( -2.595 4.917 -3.445) 6.541 8.011 ( -1.503 -4.616 -5.393) 7.256 11.053 ( 0.236 0.400 -0.089) 0.473 11.058 ( -0.272 -0.167 -0.315) 0.448 12.542 ( 0.322 1.261 0.248) 1.325 12.585 ( -0.248 -3.096 -0.517) 3.149 12.966 ( 0.569 1.431 -0.740) 1.709 13.019 ( 0.140 -3.727 -1.652) 4.079 13.238 ( -0.651 4.435 1.073) 4.610 13.347 ( 0.362 -6.706 -3.285) 7.476 14.372 ( 0.103 2.763 11.498) 11.826 14.402 ( 0.099 -0.424 12.380) 12.387 14.940 ( -0.133 6.019 -10.324) 11.951 15.027 ( -0.163 -2.742 -12.210) 12.516 16.338 ( -0.148 0.770 1.292) 1.512 16.347 ( 0.340 -0.263 0.860) 0.961 16.995 ( 0.153 1.876 0.889) 2.081 17.026 ( -0.913 -1.201 -0.116) 1.513 ======================= Grid point 71 (39/56) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.521 9.553 2.216) 9.820 0.907 ( 3.136 -6.359 2.935) 7.674 0.943 ( -3.244 3.762 -0.178) 4.971 0.955 ( -0.632 1.615 -1.814) 2.510 1.050 ( -1.892 1.482 3.779) 4.479 1.078 ( -1.326 -1.172 1.377) 2.242 1.104 ( -0.387 2.774 1.910) 3.390 1.176 ( -2.751 0.217 0.019) 2.760 1.187 ( 2.510 1.225 -0.675) 2.873 1.224 ( -1.742 -4.135 -1.171) 4.637 1.283 ( 0.172 4.387 -1.296) 4.578 1.339 ( 4.058 -0.042 3.718) 5.504 1.408 ( 1.020 -0.078 -2.893) 3.069 1.426 ( 1.763 -0.352 -4.486) 4.833 1.510 ( -1.977 2.344 -2.132) 3.734 1.534 ( 1.975 -0.547 -1.979) 2.849 1.552 ( -0.279 0.035 -3.470) 3.482 1.592 ( -0.770 -3.889 -1.054) 4.103 1.615 ( -0.648 0.696 0.924) 1.326 1.650 ( 1.732 -2.069 -2.840) 3.918 1.718 ( -0.846 -0.093 -0.180) 0.870 1.742 ( 0.150 -1.105 0.149) 1.125 1.839 ( -1.295 3.059 0.534) 3.364 1.881 ( 0.304 -0.899 1.703) 1.950 1.949 ( -2.413 1.822 1.524) 3.386 1.987 ( -3.695 -1.900 0.735) 4.219 2.026 ( 0.249 1.593 4.167) 4.468 2.049 ( 2.603 2.312 3.283) 4.786 2.124 ( -0.302 2.321 1.216) 2.637 2.166 ( 1.630 0.387 -0.607) 1.782 2.183 ( -0.079 1.183 0.173) 1.198 2.218 ( 2.562 0.069 2.099) 3.313 2.325 ( -1.143 1.341 -0.406) 1.809 2.416 ( -1.359 -2.058 -2.052) 3.209 2.466 ( -0.566 0.329 -2.519) 2.603 2.516 ( 3.059 -1.352 -1.832) 3.813 2.681 ( 2.853 2.497 0.358) 3.809 2.711 ( 0.063 2.139 -2.329) 3.163 2.766 ( 1.097 -1.757 1.846) 2.775 2.825 ( 2.645 -4.332 -1.207) 5.217 3.021 ( -2.972 2.037 0.663) 3.663 3.071 ( -2.778 -2.522 1.391) 4.002 3.164 ( 1.126 5.002 -0.377) 5.141 3.189 ( -0.631 3.320 -0.999) 3.524 3.269 ( 2.008 -1.557 0.460) 2.582 3.299 ( 2.630 -5.499 -0.138) 6.097 3.477 ( 0.693 -2.102 1.284) 2.559 3.497 ( 1.477 -3.133 0.915) 3.583 3.877 ( 4.942 -1.295 -1.946) 5.467 3.892 ( 5.387 -3.340 -3.664) 7.321 4.262 ( -0.397 1.994 -1.116) 2.319 4.310 ( 1.241 -3.087 -1.500) 3.649 4.906 ( 3.870 7.417 1.764) 8.550 5.020 ( 12.912 0.345 5.342) 13.978 5.096 ( 3.372 3.369 -1.417) 4.973 5.229 ( 12.435 -5.221 5.627) 14.614 5.457 ( -3.538 5.137 2.117) 6.588 5.531 ( -4.933 -4.764 2.534) 7.311 5.745 ( 1.320 4.732 -6.547) 8.186 5.937 ( -1.137 -14.954 -5.877) 16.108 6.338 ( 3.500 5.872 2.822) 7.396 6.469 ( 3.643 -7.113 3.625) 8.775 6.990 ( 6.277 3.162 0.380) 7.039 7.042 ( 2.389 -1.714 -2.056) 3.588 7.655 ( -8.760 2.318 7.016) 11.460 7.685 ( -6.017 -0.006 3.626) 7.025 7.783 ( -9.250 4.522 -3.973) 11.036 7.873 ( -9.914 -5.637 -6.015) 12.894 11.049 ( -0.385 0.360 -0.407) 0.666 11.054 ( -0.122 -0.157 0.079) 0.214 12.510 ( -4.679 -0.832 0.315) 4.762 12.524 ( -4.765 -1.894 -0.054) 5.128 12.948 ( -2.663 1.278 -1.684) 3.400 12.987 ( -0.607 -2.398 -1.509) 2.898 13.191 ( -3.732 5.081 0.810) 6.356 13.311 ( -3.188 -7.345 -2.895) 8.514 14.366 ( -1.909 2.851 9.592) 10.188 14.400 ( -2.085 -0.616 10.031) 10.264 15.028 ( 9.340 7.973 -7.481) 14.379 15.151 ( 12.115 -4.183 -10.966) 16.868 16.348 ( 0.905 1.491 1.009) 2.015 16.371 ( 1.641 -0.769 1.046) 2.092 16.969 ( -2.362 1.945 0.444) 3.092 17.003 ( -1.476 -1.254 0.189) 1.946 ======================= Grid point 72 (40/56) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 1.950 11.721 5.107) 12.933 0.878 ( -3.932 7.400 5.603) 10.080 0.938 ( 1.088 0.650 0.303) 1.303 0.988 ( 1.066 -7.718 2.474) 8.175 1.009 ( -0.360 0.163 2.688) 2.717 1.048 ( -0.695 0.404 2.599) 2.721 1.095 ( -3.738 -2.390 2.463) 5.075 1.123 ( 1.266 -3.040 -0.600) 3.348 1.200 ( -0.070 -0.220 -0.967) 0.994 1.209 ( 0.539 -1.832 -2.265) 2.963 1.272 ( -1.504 7.027 -5.229) 8.887 1.349 ( -3.868 -0.575 -7.316) 8.295 1.417 ( 1.552 2.424 4.075) 4.989 1.438 ( -0.019 -0.453 -0.802) 0.921 1.507 ( 2.961 2.463 0.752) 3.924 1.560 ( -1.855 4.223 0.145) 4.615 1.595 ( 0.124 0.906 -4.883) 4.967 1.598 ( 4.050 -3.439 -0.847) 5.380 1.640 ( 0.788 -2.545 3.050) 4.050 1.643 ( 1.523 -2.657 0.097) 3.064 1.764 ( -0.668 1.324 0.101) 1.486 1.787 ( 4.889 0.245 -3.502) 6.018 1.794 ( 0.634 2.384 0.416) 2.502 1.879 ( -0.765 -2.660 1.045) 2.958 1.922 ( -0.125 0.790 2.587) 2.708 1.939 ( 0.110 -0.986 -0.201) 1.012 2.027 ( -0.969 3.203 1.112) 3.526 2.053 ( -1.984 2.940 1.626) 3.902 2.102 ( -2.316 1.601 0.913) 2.960 2.147 ( 1.012 -0.282 0.058) 1.053 2.174 ( -0.250 -3.226 -0.682) 3.307 2.217 ( -4.216 -4.594 -1.128) 6.336 2.342 ( 1.204 2.312 -2.082) 3.336 2.427 ( 2.942 -4.222 -2.778) 5.848 2.454 ( -2.021 4.544 -0.884) 5.051 2.528 ( -1.551 -2.331 -1.626) 3.238 2.730 ( 2.287 5.565 -0.661) 6.053 2.765 ( 3.401 4.254 2.284) 5.906 2.798 ( 0.840 -1.911 3.804) 4.339 2.865 ( 1.265 -4.385 0.739) 4.623 2.993 ( 0.703 2.614 -0.019) 2.707 3.041 ( 0.745 -2.798 1.967) 3.500 3.153 ( -2.555 4.804 -0.158) 5.444 3.190 ( 0.359 0.603 1.488) 1.645 3.324 ( -0.071 -3.612 -1.368) 3.863 3.337 ( 3.797 -5.019 -0.953) 6.366 3.506 ( 2.280 0.030 1.068) 2.518 3.552 ( 3.780 -3.404 -1.995) 5.464 3.965 ( 3.229 0.097 0.058) 3.231 3.999 ( 4.728 -3.532 -1.891) 6.197 4.289 ( 2.639 2.715 -0.403) 3.808 4.370 ( 3.544 -5.906 -1.303) 7.010 4.888 ( -2.280 8.842 -2.737) 9.532 5.075 ( -3.126 -8.968 1.042) 9.554 5.343 ( -4.850 10.062 -2.070) 11.360 5.400 ( 6.127 3.638 8.781) 11.308 5.543 ( 16.134 1.865 -4.202) 16.776 5.579 ( 12.114 0.253 -1.557) 12.217 5.857 ( 11.310 -5.477 8.884) 15.389 5.901 ( 0.485 -9.146 2.457) 9.483 6.401 ( 0.238 3.385 -4.762) 5.847 6.483 ( -2.172 -4.661 -2.067) 5.543 7.008 ( -6.856 6.100 -1.812) 9.355 7.096 ( 0.254 -2.612 -2.710) 3.773 7.425 ( -11.410 4.360 4.378) 12.976 7.567 ( -6.476 -8.997 1.450) 11.180 7.617 ( -3.671 2.895 0.909) 4.763 7.658 ( -5.858 -1.385 0.837) 6.078 11.047 ( 0.354 0.312 -0.325) 0.573 11.052 ( -0.021 -0.189 0.138) 0.235 12.363 ( -7.394 0.281 0.783) 7.441 12.397 ( -7.039 -3.372 -0.467) 7.819 12.915 ( 0.687 5.331 -0.041) 5.375 13.010 ( 2.859 -3.846 -2.767) 5.533 13.101 ( -4.596 4.655 0.533) 6.564 13.217 ( -5.019 -7.894 -2.781) 9.759 14.338 ( -2.099 3.069 6.472) 7.464 14.369 ( -1.927 0.077 5.923) 6.229 15.227 ( 8.829 9.927 -3.009) 13.622 15.400 ( 11.464 -7.472 -9.380) 16.590 16.377 ( 1.476 1.835 1.271) 2.676 16.413 ( 1.991 -1.813 1.523) 3.094 16.924 ( -1.501 2.505 -0.485) 2.960 16.961 ( -2.356 -1.219 0.026) 2.653 ======================= Grid point 91 (41/56) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -4.420 0.000 -11.369) 12.198 0.563 ( 4.420 0.000 11.369) 12.198 0.708 ( -4.061 0.000 -13.949) 14.528 0.708 ( 4.061 0.000 13.949) 14.528 1.039 ( 0.737 0.000 -5.539) 5.588 1.039 ( -0.737 0.000 5.539) 5.588 1.096 ( 3.902 0.000 -7.131) 8.129 1.096 ( -3.902 0.000 7.131) 8.129 1.146 ( 0.015 0.000 -0.833) 0.833 1.146 ( -0.015 0.000 0.833) 0.833 1.228 ( -4.558 0.000 -2.368) 5.137 1.228 ( 4.558 0.000 2.368) 5.137 1.354 ( -2.255 0.000 0.281) 2.273 1.354 ( 2.255 0.000 -0.281) 2.273 1.449 ( -1.126 0.000 -4.192) 4.341 1.449 ( 1.126 0.000 4.192) 4.341 1.550 ( -0.852 0.000 -1.933) 2.112 1.550 ( 0.852 0.000 1.933) 2.112 1.701 ( 1.240 0.000 -4.347) 4.520 1.701 ( -1.240 0.000 4.347) 4.520 1.752 ( 1.606 0.000 -7.766) 7.931 1.752 ( -1.606 0.000 7.767) 7.931 1.859 ( 2.533 0.000 -2.875) 3.832 1.859 ( -2.533 0.000 2.875) 3.832 1.909 ( 3.153 0.000 -1.554) 3.515 1.909 ( -3.153 0.000 1.554) 3.515 2.027 ( -6.068 0.000 -4.136) 7.343 2.027 ( 6.068 0.000 4.136) 7.343 2.085 ( 2.883 0.000 -1.434) 3.220 2.085 ( -2.883 0.000 1.434) 3.220 2.229 ( -0.242 0.000 -3.435) 3.444 2.229 ( 0.242 0.000 3.435) 3.444 2.464 ( 3.045 0.000 -2.526) 3.956 2.464 ( -3.045 0.000 2.526) 3.956 2.503 ( 0.299 0.000 -0.584) 0.656 2.503 ( -0.299 0.000 0.584) 0.656 2.766 ( -7.906 0.000 -0.692) 7.936 2.766 ( 7.906 0.000 0.692) 7.936 2.861 ( 0.672 0.000 -2.309) 2.405 2.861 ( -0.672 0.000 2.309) 2.405 3.065 ( -6.309 0.000 -3.575) 7.252 3.065 ( 6.309 0.000 3.575) 7.252 3.118 ( -1.060 0.000 -1.112) 1.536 3.118 ( 1.060 0.000 1.112) 1.536 3.401 ( -2.397 0.000 -7.187) 7.576 3.401 ( 2.397 0.000 7.187) 7.576 3.693 ( -0.979 0.000 -1.469) 1.765 3.693 ( 0.979 0.000 1.469) 1.765 4.195 ( -3.958 0.000 -4.503) 5.995 4.195 ( 3.958 0.000 4.503) 5.995 4.677 ( -5.876 0.000 -9.233) 10.944 4.677 ( 5.876 0.000 9.233) 10.944 4.707 ( -3.636 0.000 -0.834) 3.730 4.707 ( 3.636 0.000 0.834) 3.730 5.271 ( -13.848 0.000 -1.465) 13.926 5.271 ( 13.848 0.000 1.465) 13.926 5.765 ( -8.624 0.000 -15.933) 18.117 5.765 ( 8.624 0.000 15.933) 18.117 5.986 ( 7.331 0.000 -6.143) 9.564 5.986 ( -7.331 0.000 6.143) 9.564 6.419 ( -8.096 0.000 -10.870) 13.553 6.419 ( 8.096 0.000 10.870) 13.553 7.086 ( 8.854 0.000 -14.690) 17.152 7.086 ( -8.854 0.000 14.690) 17.152 7.498 ( 0.195 0.000 -1.782) 1.793 7.498 ( -0.195 0.000 1.782) 1.793 7.668 ( -3.392 0.000 -7.721) 8.434 7.668 ( 3.392 0.000 7.721) 8.434 11.053 ( 1.723 0.000 -0.766) 1.886 11.053 ( -1.723 0.000 0.766) 1.886 12.411 ( -0.166 0.000 -5.683) 5.686 12.411 ( 0.166 0.000 5.683) 5.686 12.972 ( 3.413 0.000 -3.779) 5.093 12.972 ( -3.413 0.000 3.779) 5.093 13.261 ( -5.462 0.000 0.886) 5.533 13.261 ( 5.462 0.000 -0.886) 5.533 14.258 ( 0.843 0.000 -10.154) 10.189 14.258 ( -0.843 0.000 10.154) 10.189 15.112 ( 6.535 0.000 -8.255) 10.528 15.112 ( -6.535 0.000 8.255) 10.528 16.518 ( -0.738 0.000 -7.122) 7.160 16.518 ( 0.738 0.000 7.122) 7.160 16.831 ( -8.009 0.000 1.130) 8.089 16.831 ( 8.009 0.000 -1.130) 8.089 ======================= Grid point 93 (42/56) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -8.347 0.000 -17.038) 18.972 0.513 ( 1.357 0.000 -6.746) 6.881 0.699 ( -1.503 0.000 10.708) 10.813 0.713 ( 7.586 0.000 10.330) 12.816 0.982 ( -6.038 0.000 -3.013) 6.748 1.056 ( -4.093 0.000 3.772) 5.567 1.087 ( -2.425 0.000 -1.367) 2.784 1.134 ( 1.472 0.000 1.829) 2.348 1.159 ( -0.507 0.000 -1.696) 1.770 1.180 ( 4.288 0.000 2.086) 4.769 1.244 ( -4.746 0.000 -1.126) 4.878 1.248 ( 8.578 0.000 -6.452) 10.734 1.285 ( 0.780 0.000 0.350) 0.855 1.316 ( 0.973 0.000 -5.089) 5.181 1.531 ( 1.268 0.000 -1.393) 1.883 1.557 ( 3.823 0.000 -4.371) 5.806 1.580 ( 4.504 0.000 7.829) 9.032 1.603 ( 6.877 0.000 -0.482) 6.894 1.610 ( -6.127 0.000 8.825) 10.743 1.681 ( -1.365 0.000 -0.396) 1.421 1.744 ( -0.441 0.000 -0.016) 0.441 1.793 ( 2.811 0.000 -8.599) 9.047 1.820 ( 1.274 0.000 3.117) 3.367 1.868 ( -3.023 0.000 -3.570) 4.678 1.886 ( 2.474 0.000 -1.952) 3.151 1.919 ( -1.290 0.000 -0.005) 1.290 1.950 ( -1.330 0.000 -2.359) 2.708 2.061 ( -0.789 0.000 2.842) 2.950 2.084 ( -1.399 0.000 -3.515) 3.784 2.176 ( 5.217 0.000 2.995) 6.015 2.237 ( -0.324 0.000 3.456) 3.471 2.247 ( 2.626 0.000 -5.113) 5.748 2.412 ( -7.668 0.000 2.768) 8.153 2.413 ( -2.533 0.000 -0.033) 2.533 2.441 ( -4.923 0.000 2.063) 5.338 2.521 ( 1.643 0.000 -0.748) 1.806 2.598 ( -7.592 0.000 4.124) 8.640 2.782 ( -6.983 0.000 -0.503) 7.001 2.855 ( 1.489 0.000 -0.547) 1.586 2.877 ( 0.381 0.000 0.192) 0.427 2.994 ( 2.324 0.000 -3.681) 4.353 3.085 ( -2.508 0.000 -4.358) 5.029 3.163 ( 2.505 0.000 0.562) 2.567 3.165 ( 1.322 0.000 0.893) 1.595 3.325 ( -1.749 0.000 -0.972) 2.000 3.418 ( -1.261 0.000 2.096) 2.447 3.639 ( -3.253 0.000 -1.955) 3.795 3.673 ( -3.042 0.000 0.919) 3.178 4.145 ( -0.964 0.000 -6.193) 6.268 4.311 ( 4.143 0.000 0.349) 4.157 4.412 ( -14.087 0.000 -2.434) 14.296 4.620 ( -10.553 0.000 -0.360) 10.559 4.656 ( -0.213 0.000 -0.470) 0.516 4.733 ( -1.086 0.000 10.677) 10.732 5.088 ( -3.214 0.000 1.431) 3.518 5.429 ( -14.205 0.000 2.312) 14.392 5.483 ( 3.125 0.000 -1.873) 3.643 5.751 ( -5.240 0.000 8.661) 10.122 6.051 ( 5.935 0.000 -1.944) 6.246 6.214 ( -0.809 0.000 -4.947) 5.013 6.386 ( 14.648 0.000 -2.852) 14.923 6.534 ( 0.099 0.000 10.823) 10.823 7.012 ( 0.917 0.000 11.950) 11.985 7.081 ( -8.945 0.000 -8.975) 12.672 7.490 ( -1.351 0.000 1.165) 1.784 7.507 ( 2.272 0.000 -5.854) 6.279 7.723 ( 10.162 0.000 -4.008) 10.924 7.790 ( 5.534 0.000 10.289) 11.683 11.009 ( -1.708 0.000 0.495) 1.778 11.069 ( 0.231 0.000 -0.500) 0.551 12.528 ( 9.165 0.000 -2.929) 9.622 12.595 ( 13.272 0.000 9.896) 16.555 12.917 ( -2.107 0.000 4.462) 4.934 12.981 ( -3.738 0.000 -4.712) 6.014 13.222 ( 4.270 0.000 0.850) 4.353 13.367 ( 5.054 0.000 -6.963) 8.604 14.277 ( 0.679 0.000 10.876) 10.897 14.285 ( 3.456 0.000 -8.553) 9.224 14.867 ( -14.122 0.000 -3.906) 14.652 15.079 ( -6.645 0.000 -9.153) 11.311 16.424 ( -4.505 0.000 -6.592) 7.985 16.428 ( -5.922 0.000 0.940) 5.996 16.824 ( 4.018 0.000 3.180) 5.124 17.007 ( 5.959 0.000 -5.466) 8.087 ======================= Grid point 94 (43/56) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 6.656 0.000 -4.590) 8.085 0.599 ( 7.450 0.000 -2.176) 7.762 0.762 ( 4.832 0.000 1.845) 5.172 0.850 ( -5.083 0.000 -4.077) 6.516 0.873 ( 3.783 0.000 9.250) 9.993 0.958 ( -3.255 0.000 3.230) 4.586 1.060 ( -4.279 0.000 5.502) 6.970 1.097 ( -3.312 0.000 -2.112) 3.928 1.125 ( 0.437 0.000 -3.647) 3.673 1.151 ( -2.893 0.000 -1.404) 3.216 1.207 ( -2.332 0.000 -1.083) 2.571 1.280 ( -6.875 0.000 3.680) 7.798 1.383 ( 7.676 0.000 1.480) 7.817 1.415 ( 7.869 0.000 4.486) 9.057 1.534 ( 1.647 0.000 -3.610) 3.968 1.601 ( 7.009 0.000 -5.448) 8.877 1.639 ( 1.033 0.000 -2.560) 2.761 1.655 ( 0.220 0.000 -0.882) 0.909 1.664 ( 2.350 0.000 1.422) 2.747 1.721 ( 1.795 0.000 0.117) 1.799 1.751 ( 0.809 0.000 -0.413) 0.909 1.805 ( -6.240 0.000 -3.004) 6.925 1.811 ( -1.773 0.000 -3.153) 3.618 1.885 ( 5.361 0.000 -3.506) 6.406 1.894 ( 4.797 0.000 -1.574) 5.049 1.918 ( -4.400 0.000 -2.302) 4.966 1.956 ( 3.866 0.000 3.861) 5.464 2.040 ( -0.236 0.000 -2.264) 2.277 2.059 ( 0.868 0.000 3.412) 3.521 2.212 ( -2.520 0.000 3.905) 4.647 2.233 ( -5.752 0.000 0.957) 5.831 2.251 ( -2.245 0.000 -5.450) 5.895 2.297 ( -5.595 0.000 1.466) 5.783 2.307 ( 3.371 0.000 2.309) 4.086 2.409 ( 0.122 0.000 1.024) 1.031 2.464 ( -4.578 0.000 2.167) 5.065 2.531 ( -1.935 0.000 4.474) 4.875 2.631 ( -6.605 0.000 0.355) 6.615 2.870 ( 0.597 0.000 -3.282) 3.336 2.885 ( -0.107 0.000 -1.530) 1.534 3.064 ( 3.545 0.000 -1.542) 3.866 3.067 ( 3.508 0.000 -0.701) 3.577 3.154 ( -0.644 0.000 -0.226) 0.682 3.198 ( 0.817 0.000 -0.108) 0.824 3.320 ( -1.115 0.000 2.052) 2.335 3.362 ( -4.079 0.000 -0.193) 4.084 3.572 ( -2.532 0.000 -2.131) 3.310 3.589 ( -4.156 0.000 0.840) 4.240 4.066 ( -6.478 0.000 -6.692) 9.314 4.108 ( -11.825 0.000 -1.081) 11.874 4.352 ( 0.068 0.000 -4.968) 4.968 4.412 ( -5.620 0.000 2.281) 6.066 4.765 ( 8.413 0.000 8.227) 11.767 4.825 ( 8.425 0.000 12.251) 14.868 5.042 ( -2.073 0.000 -1.707) 2.686 5.281 ( -0.754 0.000 9.670) 9.700 5.347 ( -11.347 0.000 -11.815) 16.381 5.758 ( 3.104 0.000 3.750) 4.869 5.974 ( -18.972 0.000 -4.708) 19.548 6.067 ( -4.650 0.000 -3.445) 5.788 6.566 ( 2.706 0.000 12.541) 12.830 6.699 ( 9.173 0.000 -7.490) 11.842 6.890 ( -1.823 0.000 -3.265) 3.739 7.065 ( 0.611 0.000 5.052) 5.089 7.520 ( 3.787 0.000 3.346) 5.054 7.579 ( 4.638 0.000 -9.755) 10.801 7.897 ( 2.838 0.000 9.371) 9.791 7.901 ( 5.593 0.000 -1.807) 5.878 11.004 ( 0.951 0.000 0.594) 1.121 11.063 ( -0.761 0.000 -0.534) 0.930 12.688 ( 5.122 0.000 3.634) 6.280 12.832 ( 4.845 0.000 5.875) 7.615 12.867 ( -2.628 0.000 -8.378) 8.781 12.909 ( 0.739 0.000 1.544) 1.711 13.381 ( 6.893 0.000 11.640) 13.528 13.447 ( 4.033 0.000 -11.070) 11.782 14.320 ( 1.561 0.000 11.147) 11.256 14.366 ( 4.635 0.000 -6.985) 8.383 14.635 ( -5.415 0.000 -7.947) 9.616 14.876 ( -10.370 0.000 -5.174) 11.589 16.346 ( -1.910 0.000 -4.833) 5.197 16.349 ( -2.342 0.000 2.398) 3.352 16.916 ( 3.920 0.000 3.295) 5.121 17.045 ( -0.618 0.000 -4.681) 4.721 ======================= Grid point 95 (44/56) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -8.299 0.000 -5.947) 10.210 0.647 ( 8.299 0.000 5.947) 10.210 0.800 ( 7.571 0.000 -5.609) 9.422 0.800 ( -7.571 0.000 5.609) 9.422 0.919 ( -7.185 0.000 0.126) 7.187 0.919 ( 7.185 0.000 -0.126) 7.187 1.020 ( -3.996 0.000 -2.861) 4.914 1.020 ( 3.996 0.000 2.861) 4.914 1.139 ( 2.425 0.000 -2.157) 3.246 1.139 ( -2.425 0.000 2.157) 3.246 1.165 ( -0.280 0.000 -1.534) 1.559 1.165 ( 0.280 0.000 1.534) 1.559 1.525 ( -3.436 0.000 -2.261) 4.114 1.525 ( 3.436 0.000 2.261) 4.114 1.604 ( -5.879 0.000 -3.187) 6.688 1.604 ( 5.879 0.000 3.187) 6.688 1.646 ( -2.017 0.000 -2.424) 3.154 1.646 ( 2.017 0.000 2.424) 3.154 1.722 ( 4.038 0.000 -3.311) 5.222 1.722 ( -4.038 0.000 3.311) 5.222 1.751 ( -1.240 0.000 -4.066) 4.251 1.751 ( 1.240 0.000 4.066) 4.251 1.784 ( -2.405 0.000 -2.308) 3.333 1.784 ( 2.405 0.000 2.308) 3.333 1.986 ( 2.055 0.000 -1.561) 2.581 1.986 ( -2.055 0.000 1.561) 2.581 2.009 ( -4.069 0.000 0.571) 4.109 2.009 ( 4.069 0.000 -0.571) 4.109 2.119 ( -3.882 0.000 -4.575) 5.999 2.119 ( 3.882 0.000 4.575) 5.999 2.180 ( -1.110 0.000 -2.487) 2.724 2.180 ( 1.110 0.000 2.487) 2.724 2.307 ( -4.109 0.000 -1.689) 4.442 2.307 ( 4.109 0.000 1.689) 4.442 2.421 ( -0.709 0.000 -2.457) 2.557 2.421 ( 0.709 0.000 2.457) 2.557 2.524 ( -2.729 0.000 -3.446) 4.396 2.524 ( 2.729 0.000 3.446) 4.396 2.881 ( 0.445 0.000 -3.350) 3.380 2.881 ( -0.445 0.000 3.350) 3.380 3.109 ( -0.373 0.000 0.120) 0.391 3.109 ( 0.373 0.000 -0.120) 0.391 3.201 ( -2.556 0.000 0.337) 2.578 3.201 ( 2.556 0.000 -0.337) 2.578 3.283 ( -0.447 0.000 -0.026) 0.448 3.283 ( 0.447 0.000 0.026) 0.448 3.542 ( 0.354 0.000 -1.892) 1.925 3.542 ( -0.354 0.000 1.892) 1.925 3.968 ( 0.592 0.000 -0.588) 0.834 3.968 ( -0.592 0.000 0.588) 0.834 4.359 ( 1.391 0.000 -2.524) 2.882 4.359 ( -1.391 0.000 2.524) 2.882 4.944 ( -6.074 0.000 -5.295) 8.058 4.944 ( 6.074 0.000 5.295) 8.058 5.083 ( -11.501 0.000 -8.768) 14.462 5.083 ( 11.501 0.000 8.768) 14.462 5.483 ( -17.837 0.000 -16.614) 24.376 5.483 ( 17.837 0.000 16.614) 24.376 5.917 ( -7.002 0.000 -6.381) 9.473 5.917 ( 7.002 0.000 6.381) 9.473 6.668 ( -4.146 0.000 -11.253) 11.992 6.668 ( 4.146 0.000 11.253) 11.992 7.014 ( -6.345 0.000 1.846) 6.608 7.014 ( 6.345 0.000 -1.846) 6.608 7.602 ( -1.522 0.000 -8.114) 8.255 7.602 ( 1.522 0.000 8.114) 8.255 7.944 ( -0.287 0.000 -5.133) 5.141 7.944 ( 0.287 0.000 5.133) 5.141 11.036 ( -1.664 0.000 -0.630) 1.779 11.036 ( 1.664 0.000 0.630) 1.779 12.768 ( -2.741 0.000 -7.728) 8.199 12.768 ( 2.741 0.000 7.728) 8.199 12.920 ( -0.737 0.000 -1.206) 1.413 12.920 ( 0.737 0.000 1.206) 1.413 13.476 ( 0.093 0.000 -13.500) 13.500 13.476 ( -0.093 0.000 13.500) 13.500 14.376 ( -1.604 0.000 -10.764) 10.883 14.376 ( 1.604 0.000 10.764) 10.883 14.670 ( -7.986 0.000 -0.311) 7.992 14.670 ( 7.986 0.000 0.311) 7.992 16.326 ( 0.487 0.000 -3.724) 3.756 16.326 ( -0.487 0.000 3.724) 3.756 16.995 ( -3.031 0.000 -3.595) 4.702 16.995 ( 3.031 0.000 3.595) 4.702 ======================= Grid point 99 (45/56) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -4.432 5.187 -8.510) 10.907 0.620 ( 4.432 5.187 8.510) 10.907 0.766 ( -2.062 5.638 -11.067) 12.590 0.766 ( 2.062 5.638 11.067) 12.590 1.035 ( -1.451 0.004 -3.635) 3.914 1.035 ( 1.451 0.004 3.635) 3.914 1.112 ( 2.425 1.664 -5.781) 6.486 1.112 ( -2.425 1.664 5.781) 6.486 1.142 ( 0.590 -0.489 -1.448) 1.638 1.142 ( -0.590 -0.489 1.448) 1.638 1.262 ( -2.655 2.452 -1.714) 4.000 1.262 ( 2.655 2.452 1.714) 4.000 1.370 ( -1.593 2.249 -1.435) 3.107 1.370 ( 1.593 2.249 1.435) 3.107 1.469 ( -2.548 1.312 -4.518) 5.350 1.469 ( 2.548 1.312 4.518) 5.350 1.589 ( 1.939 3.082 -3.863) 5.309 1.589 ( -1.939 3.082 3.863) 5.309 1.713 ( 0.812 0.503 -3.667) 3.789 1.713 ( -0.812 0.503 3.667) 3.789 1.773 ( 1.247 2.117 -3.904) 4.613 1.773 ( -1.247 2.117 3.904) 4.613 1.841 ( 0.026 0.109 -1.984) 1.988 1.841 ( -0.026 0.109 1.984) 1.988 1.896 ( -1.227 -0.871 -0.875) 1.741 1.896 ( 1.227 -0.871 0.875) 1.741 2.011 ( -5.550 -1.563 -2.192) 6.168 2.011 ( 5.550 -1.563 2.192) 6.168 2.077 ( -3.106 -0.723 -0.829) 3.294 2.077 ( 3.106 -0.723 0.829) 3.294 2.218 ( -0.424 -1.401 -2.431) 2.838 2.218 ( 0.424 -1.401 2.431) 2.838 2.426 ( -4.457 -3.991 0.028) 5.982 2.426 ( 4.457 -3.991 -0.028) 5.982 2.496 ( 1.357 0.143 -1.938) 2.370 2.496 ( -1.357 0.143 1.938) 2.370 2.756 ( -5.459 -0.934 -1.374) 5.706 2.756 ( 5.459 -0.934 1.374) 5.706 2.854 ( -0.633 -0.629 -1.282) 1.562 2.854 ( 0.633 -0.629 1.282) 1.562 3.063 ( -2.493 -0.119 -1.560) 2.943 3.063 ( 2.493 -0.119 1.560) 2.943 3.144 ( -0.038 2.750 -1.884) 3.334 3.144 ( 0.038 2.750 1.884) 3.334 3.435 ( -0.393 1.942 -11.567) 11.736 3.435 ( 0.393 1.942 11.567) 11.736 3.661 ( 1.878 -3.199 -1.510) 4.005 3.661 ( -1.878 -3.199 1.510) 4.005 4.222 ( -4.073 -0.732 -1.685) 4.468 4.222 ( 4.073 -0.732 1.685) 4.468 4.530 ( -7.615 -9.235 -5.873) 13.333 4.530 ( 7.615 -9.235 5.873) 13.333 4.710 ( 0.749 0.430 -0.875) 1.229 4.710 ( -0.749 0.430 0.875) 1.229 5.311 ( 2.202 4.132 -6.986) 8.410 5.311 ( -2.202 4.132 6.986) 8.410 5.707 ( -0.088 -5.262 -12.182) 13.271 5.707 ( 0.088 -5.262 12.182) 13.271 6.058 ( 5.192 6.000 -5.430) 9.615 6.058 ( -5.192 6.000 5.430) 9.615 6.468 ( -6.935 3.194 -8.835) 11.677 6.468 ( 6.935 3.194 8.835) 11.677 6.970 ( -1.052 -9.476 -18.146) 20.498 6.970 ( 1.052 -9.476 18.146) 20.498 7.489 ( 0.738 -0.875 -4.158) 4.313 7.489 ( -0.738 -0.875 4.158) 4.313 7.682 ( -2.559 0.723 -4.888) 5.564 7.682 ( 2.559 0.723 4.888) 5.564 11.052 ( 1.602 -0.018 -0.696) 1.746 11.052 ( -1.602 -0.018 0.696) 1.746 12.383 ( 0.088 -2.554 -4.673) 5.326 12.383 ( -0.088 -2.554 4.673) 5.326 12.988 ( 3.582 1.428 -4.128) 5.648 12.988 ( -3.582 1.428 4.128) 5.648 13.198 ( -5.522 -5.567 -12.098) 14.417 13.198 ( 5.522 -5.567 12.098) 14.417 14.251 ( 0.399 0.860 -6.450) 6.519 14.251 ( -0.399 0.860 6.450) 6.519 15.218 ( 4.483 7.965 -14.330) 16.997 15.218 ( -4.483 7.965 14.330) 16.997 16.501 ( -1.210 -1.629 -6.068) 6.399 16.501 ( 1.210 -1.629 6.068) 6.399 16.851 ( -7.387 1.829 0.987) 7.674 16.851 ( 7.387 1.829 -0.987) 7.674 ======================= Grid point 101 (46/56) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -3.866 4.745 -8.724) 10.657 0.628 ( -3.686 8.595 -5.669) 10.936 0.728 ( 1.387 4.199 7.490) 8.698 0.785 ( 4.922 5.803 8.454) 11.374 0.990 ( -4.843 1.692 -2.640) 5.769 1.071 ( -0.596 -0.182 1.166) 1.322 1.083 ( -0.340 0.228 0.790) 0.889 1.153 ( -1.253 1.276 1.927) 2.629 1.174 ( -1.123 1.326 -1.037) 2.024 1.191 ( 3.782 0.991 2.121) 4.448 1.259 ( 4.648 1.307 -3.452) 5.935 1.294 ( -4.565 4.443 -1.142) 6.471 1.315 ( 4.007 1.664 -2.162) 4.847 1.345 ( -0.269 3.403 -0.061) 3.414 1.491 ( 0.623 -3.515 -0.536) 3.610 1.517 ( 3.773 -2.150 -1.536) 4.606 1.569 ( -1.322 -0.812 0.700) 1.702 1.631 ( -2.519 2.187 -1.145) 3.527 1.664 ( 2.611 5.832 3.363) 7.221 1.722 ( 0.654 -2.364 -1.528) 2.890 1.757 ( -0.960 4.911 -0.550) 5.034 1.793 ( 2.035 -0.674 -4.672) 5.140 1.839 ( 1.236 1.509 -0.998) 2.191 1.844 ( -2.949 -1.749 -3.907) 5.198 1.890 ( 2.703 0.854 -0.613) 2.900 1.901 ( 0.509 -0.577 1.305) 1.515 1.953 ( -0.968 0.159 3.403) 3.541 2.041 ( -1.085 -1.026 0.166) 1.503 2.090 ( 1.030 0.175 -1.186) 1.580 2.172 ( 4.669 -0.453 4.105) 6.233 2.215 ( 0.659 -2.291 -1.883) 3.037 2.226 ( -0.500 -1.485 -0.709) 1.720 2.345 ( -2.641 -3.182 -0.120) 4.137 2.417 ( -3.466 -0.864 3.721) 5.159 2.463 ( -3.961 0.399 1.301) 4.189 2.518 ( 1.403 -0.791 -0.426) 1.666 2.614 ( -6.848 1.450 2.223) 7.344 2.727 ( -5.311 -3.480 -0.374) 6.361 2.873 ( 1.278 -0.106 -0.032) 1.283 2.886 ( -0.995 1.193 2.472) 2.919 3.003 ( 0.031 0.910 -4.389) 4.482 3.045 ( -1.316 -2.766 -3.060) 4.330 3.138 ( -0.744 2.027 -1.192) 2.466 3.214 ( 4.383 1.980 3.108) 5.727 3.390 ( -1.957 2.229 -5.752) 6.471 3.418 ( -3.452 -0.395 4.986) 6.077 3.611 ( -2.448 -3.482 0.193) 4.261 3.661 ( -2.139 -0.217 -2.412) 3.231 4.136 ( -2.921 -1.140 -4.842) 5.769 4.231 ( -4.697 -9.552 -1.007) 10.692 4.353 ( -5.936 -3.142 -3.186) 7.434 4.612 ( -11.233 -1.544 -1.265) 11.409 4.690 ( 8.627 -1.763 9.854) 13.215 4.748 ( 2.486 4.114 2.937) 5.633 5.108 ( -12.808 4.911 7.752) 15.756 5.243 ( -4.339 -2.439 -5.445) 7.377 5.655 ( -4.036 -0.227 -5.588) 6.897 5.703 ( -2.715 -4.740 9.519) 10.975 6.030 ( -0.621 3.253 1.779) 3.759 6.196 ( 3.498 -2.185 -4.063) 5.789 6.473 ( 9.524 5.540 -2.114) 11.219 6.590 ( -4.994 2.629 6.761) 8.807 6.823 ( 3.837 -12.816 -6.370) 14.818 7.034 ( -3.363 -4.334 7.026) 8.914 7.480 ( 0.795 1.016 1.278) 1.816 7.599 ( 2.024 4.804 -1.058) 5.319 7.687 ( 8.698 -2.888 -7.823) 12.049 7.771 ( 5.177 -2.287 7.874) 9.697 11.014 ( -1.469 0.491 0.481) 1.621 11.068 ( 0.230 -0.099 -0.469) 0.532 12.497 ( 8.994 -2.896 -2.474) 9.767 12.544 ( 12.206 -4.841 8.229) 15.496 12.933 ( -1.994 1.379 3.913) 4.604 12.980 ( -5.555 -0.739 -6.821) 8.828 13.139 ( 5.523 -4.119 -7.500) 10.184 13.356 ( 6.160 -3.647 3.926) 8.164 14.276 ( 2.750 0.702 2.634) 3.873 14.285 ( 2.798 1.838 -0.259) 3.357 15.006 ( -14.863 10.862 4.716) 19.003 15.154 ( -7.604 5.761 -11.865) 15.225 16.409 ( -4.477 -0.942 -4.449) 6.382 16.438 ( -5.128 0.452 0.173) 5.151 16.830 ( 3.505 0.857 2.358) 4.310 17.012 ( 5.682 0.219 -4.170) 7.051 ======================= Grid point 102 (47/56) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 4.654 5.238 -6.165) 9.333 0.655 ( 5.451 5.264 1.031) 7.648 0.783 ( 2.232 2.271 1.306) 3.441 0.874 ( -3.612 3.621 1.156) 5.243 0.935 ( 4.060 5.389 4.522) 8.123 1.001 ( -4.136 3.226 2.002) 5.614 1.077 ( -1.633 1.442 1.703) 2.765 1.111 ( -3.581 0.802 0.193) 3.675 1.137 ( 0.332 1.389 -3.293) 3.590 1.160 ( -3.675 0.749 -0.503) 3.784 1.237 ( -2.745 2.827 0.096) 3.941 1.274 ( -6.482 -0.538 4.453) 7.883 1.377 ( 6.558 -0.248 0.957) 6.632 1.449 ( 6.063 2.784 1.894) 6.935 1.526 ( 1.249 -1.324 -2.789) 3.330 1.533 ( 3.991 -4.540 0.360) 6.056 1.610 ( 2.325 -1.193 -4.251) 4.990 1.632 ( 1.222 -2.638 -1.834) 3.437 1.699 ( -0.078 -1.682 -0.800) 1.865 1.737 ( 0.972 3.626 -2.503) 4.512 1.764 ( -2.202 -1.825 -1.115) 3.070 1.803 ( 2.390 1.087 0.192) 2.632 1.829 ( 1.307 1.074 -3.271) 3.683 1.843 ( 0.746 1.739 -2.358) 3.023 1.901 ( -3.646 0.576 -1.567) 4.010 1.948 ( -0.355 -1.741 0.557) 1.862 1.952 ( 4.719 1.646 0.598) 5.033 2.027 ( 2.742 -0.077 0.218) 2.751 2.095 ( -0.845 1.851 3.174) 3.770 2.151 ( -2.993 -2.065 -0.786) 3.720 2.207 ( -0.646 -2.444 -5.605) 6.149 2.286 ( -1.031 0.530 0.274) 1.191 2.318 ( 4.469 1.998 4.736) 6.811 2.327 ( -8.646 2.207 1.935) 9.130 2.419 ( -0.113 0.311 2.404) 2.426 2.480 ( -4.923 1.243 0.791) 5.139 2.524 ( -1.045 0.294 5.897) 5.996 2.618 ( -3.704 -1.831 -3.048) 5.134 2.846 ( -1.198 -0.962 -0.213) 1.551 2.882 ( -0.542 -0.623 -0.633) 1.040 3.041 ( 3.145 -0.129 -0.415) 3.175 3.081 ( 4.241 -1.360 -1.312) 4.643 3.120 ( -0.206 0.523 -0.118) 0.575 3.286 ( 1.596 0.947 1.001) 2.109 3.325 ( -3.728 2.063 -2.780) 5.087 3.335 ( -4.050 -1.604 1.191) 4.516 3.559 ( -2.422 -1.559 0.674) 2.958 3.589 ( -3.657 0.287 -2.097) 4.225 4.036 ( -6.357 -2.906 -5.733) 9.040 4.065 ( -8.892 -4.440 -0.837) 9.974 4.307 ( 0.443 -3.665 -3.248) 4.918 4.396 ( -5.701 -1.689 1.994) 6.272 4.763 ( 0.050 2.405 5.181) 5.712 4.909 ( 4.033 -9.061 7.415) 12.383 4.984 ( 5.629 10.006 9.853) 15.129 5.194 ( 0.132 -1.814 -3.669) 4.095 5.436 ( -11.070 2.168 -6.525) 13.031 5.777 ( 5.205 -3.614 9.739) 11.619 5.838 ( -15.956 -2.619 -10.189) 19.112 6.199 ( -7.667 5.238 -3.480) 9.917 6.423 ( -0.390 -10.505 7.099) 12.684 6.647 ( 0.524 -5.515 -5.836) 8.047 6.973 ( 5.324 5.516 1.339) 7.782 7.020 ( 5.540 -4.328 4.400) 8.294 7.536 ( 3.306 1.228 3.429) 4.919 7.600 ( 0.466 4.272 -6.766) 8.016 7.872 ( 7.044 -1.260 -6.606) 9.739 7.900 ( 4.749 -2.127 9.647) 10.961 11.010 ( 0.883 0.626 0.519) 1.200 11.064 ( -0.661 -0.001 -0.477) 0.815 12.655 ( 5.298 -3.274 3.180) 6.992 12.773 ( 4.233 -6.216 3.391) 8.250 12.872 ( -0.339 0.664 -5.524) 5.574 12.924 ( 0.348 1.512 1.144) 1.927 13.289 ( 8.265 -4.761 -1.745) 9.697 13.449 ( 2.007 -3.147 0.570) 3.776 14.347 ( 3.245 2.988 6.433) 7.800 14.386 ( 6.472 2.334 -2.144) 7.206 14.727 ( -10.181 8.163 -0.840) 13.076 14.924 ( -11.553 3.789 -8.003) 14.556 16.337 ( -1.730 -0.272 -2.227) 2.833 16.359 ( -2.575 0.604 0.161) 2.649 16.921 ( 4.156 0.507 2.701) 4.983 17.052 ( -0.476 0.478 -3.792) 3.852 ======================= Grid point 103 (48/56) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -8.516 2.114 -2.595) 9.150 0.662 ( 8.516 2.114 2.595) 9.150 0.819 ( -0.604 2.451 -1.368) 2.871 0.819 ( 0.604 2.451 1.368) 2.871 0.968 ( -5.443 4.262 -2.083) 7.220 0.968 ( 5.443 4.262 2.083) 7.220 1.053 ( -3.345 2.671 -0.152) 4.283 1.053 ( 3.345 2.671 0.152) 4.283 1.146 ( 2.166 0.743 -2.951) 3.735 1.146 ( -2.166 0.743 2.951) 3.735 1.183 ( -1.066 1.858 -1.884) 2.853 1.183 ( 1.066 1.858 1.884) 2.853 1.490 ( -3.157 -2.914 -1.138) 4.444 1.490 ( 3.157 -2.914 1.138) 4.444 1.584 ( -0.855 -2.607 -2.272) 3.562 1.584 ( 0.855 -2.607 2.272) 3.562 1.618 ( -2.715 -1.228 -1.089) 3.173 1.618 ( 2.715 -1.228 1.089) 3.173 1.711 ( -2.979 -0.616 -2.108) 3.701 1.711 ( 2.979 -0.616 2.108) 3.701 1.782 ( -2.019 -0.639 -0.438) 2.162 1.782 ( 2.019 -0.639 0.438) 2.162 1.820 ( 1.977 4.255 -2.471) 5.303 1.820 ( -1.977 4.255 2.471) 5.303 1.947 ( -0.573 -2.471 -2.941) 3.884 1.947 ( 0.573 -2.471 2.941) 3.884 2.020 ( -3.403 2.773 -1.085) 4.522 2.020 ( 3.403 2.773 1.085) 4.522 2.143 ( -3.120 0.477 -1.939) 3.704 2.143 ( 3.120 0.477 1.939) 3.704 2.176 ( 0.082 -0.194 -4.449) 4.454 2.176 ( -0.082 -0.194 4.449) 4.454 2.321 ( -1.177 1.698 -1.311) 2.447 2.321 ( 1.177 1.698 1.311) 2.447 2.410 ( -1.167 -0.719 -2.797) 3.115 2.410 ( 1.167 -0.719 2.797) 3.115 2.558 ( -1.323 2.471 -5.021) 5.751 2.558 ( 1.323 2.471 5.021) 5.751 2.855 ( 0.017 -2.117 -2.942) 3.624 2.855 ( -0.017 -2.117 2.942) 3.624 3.096 ( 1.374 -0.595 -1.350) 2.016 3.096 ( -1.374 -0.595 1.350) 2.016 3.205 ( -5.556 -1.376 -1.663) 5.961 3.205 ( 5.556 -1.376 1.663) 5.961 3.300 ( -1.172 1.943 -0.612) 2.350 3.300 ( 1.172 1.943 0.612) 2.350 3.535 ( -0.479 -0.618 -2.048) 2.192 3.535 ( 0.479 -0.618 2.048) 2.192 3.949 ( 0.569 -2.263 -2.775) 3.626 3.949 ( -0.569 -2.263 2.775) 3.626 4.332 ( 2.199 -2.235 -1.783) 3.607 4.332 ( -2.199 -2.235 1.783) 3.607 4.849 ( -4.511 -5.645 -8.421) 11.096 4.849 ( 4.511 -5.645 8.421) 11.096 5.189 ( -4.693 6.449 -13.334) 15.537 5.189 ( 4.693 6.449 13.334) 15.537 5.419 ( -14.905 -4.505 -13.242) 20.441 5.419 ( 14.905 -4.505 13.242) 20.441 5.970 ( -9.061 3.658 -7.179) 12.125 5.970 ( 9.061 3.658 7.179) 12.125 6.534 ( -6.636 -10.122 -8.241) 14.643 6.534 ( 6.636 -10.122 8.241) 14.643 7.081 ( 0.183 1.959 -3.901) 4.369 7.081 ( -0.183 1.959 3.901) 4.369 7.589 ( -0.751 1.738 -6.447) 6.720 7.589 ( 0.751 1.738 6.447) 6.720 7.951 ( 1.474 -0.332 -9.280) 9.402 7.951 ( -1.474 -0.332 9.280) 9.402 11.039 ( -1.485 0.327 -0.562) 1.621 11.039 ( 1.485 0.327 0.562) 1.621 12.738 ( -2.462 -3.419 -6.996) 8.167 12.738 ( 2.462 -3.419 6.996) 8.167 12.923 ( -0.469 0.687 -3.619) 3.714 12.923 ( 0.469 0.687 3.619) 3.714 13.427 ( 0.169 -4.455 -10.783) 11.668 13.427 ( -0.169 -4.455 10.783) 11.668 14.432 ( -1.155 5.265 -10.264) 11.593 14.432 ( 1.155 5.265 10.264) 11.593 14.695 ( -4.727 2.171 -8.567) 10.023 14.695 ( 4.727 2.171 8.567) 10.023 16.326 ( 0.457 0.178 -2.677) 2.721 16.326 ( -0.457 0.178 2.677) 2.721 17.004 ( -3.113 0.714 -3.087) 4.442 17.004 ( 3.113 0.714 3.087) 4.442 ======================= Grid point 107 (49/56) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -2.913 7.427 -4.208) 9.019 0.741 ( 2.913 7.427 4.208) 9.019 0.885 ( 2.355 5.804 -7.153) 9.508 0.885 ( -2.355 5.804 7.153) 9.508 1.047 ( -0.437 0.585 -0.835) 1.109 1.047 ( 0.437 0.585 0.835) 1.109 1.133 ( -1.463 0.739 -1.947) 2.545 1.133 ( 1.463 0.739 1.947) 2.545 1.161 ( -2.638 2.940 -1.765) 4.327 1.161 ( 2.638 2.940 1.765) 4.327 1.272 ( 0.927 -2.313 -1.051) 2.704 1.272 ( -0.927 -2.313 1.051) 2.704 1.413 ( 0.792 1.772 -4.492) 4.893 1.413 ( -0.792 1.772 4.492) 4.893 1.504 ( 0.022 1.182 -3.054) 3.275 1.504 ( -0.022 1.182 3.054) 3.275 1.594 ( 1.864 -1.149 -7.010) 7.344 1.594 ( -1.864 -1.149 7.010) 7.344 1.720 ( -1.535 -0.739 -0.686) 1.836 1.720 ( 1.535 -0.739 0.686) 1.836 1.836 ( -3.471 4.205 -1.742) 5.724 1.836 ( 3.471 4.205 1.742) 5.724 1.870 ( -4.166 1.733 -6.062) 7.557 1.870 ( 4.166 1.733 6.062) 7.557 1.903 ( 2.339 1.345 -1.665) 3.171 1.903 ( -2.339 1.345 1.665) 3.171 1.996 ( -1.267 0.509 -3.465) 3.724 1.996 ( 1.267 0.509 3.465) 3.724 2.068 ( -1.159 0.159 -0.776) 1.404 2.068 ( 1.159 0.159 0.776) 1.404 2.180 ( 0.853 -2.128 -1.447) 2.712 2.180 ( -0.853 -2.128 1.447) 2.712 2.342 ( -5.165 -3.902 -2.845) 7.071 2.342 ( 5.165 -3.902 2.845) 7.071 2.492 ( 1.009 -1.050 -2.527) 2.917 2.492 ( -1.009 -1.050 2.527) 2.917 2.752 ( -4.201 1.238 -0.783) 4.449 2.752 ( 4.201 1.238 0.783) 4.449 2.858 ( 0.402 1.265 -2.160) 2.536 2.858 ( -0.402 1.265 2.160) 2.536 3.064 ( -0.815 0.140 -0.493) 0.963 3.064 ( 0.815 0.140 0.493) 0.963 3.197 ( -1.519 1.880 -3.159) 3.978 3.197 ( 1.519 1.880 3.159) 3.978 3.417 ( -1.409 -4.556 -10.621) 11.643 3.417 ( 1.409 -4.556 10.621) 11.643 3.584 ( -0.454 -3.647 -1.314) 3.903 3.584 ( 0.454 -3.647 1.314) 3.903 4.108 ( -1.576 -7.102 -1.788) 7.491 4.108 ( 1.576 -7.102 1.788) 7.491 4.427 ( -5.010 -4.265 -3.305) 7.363 4.427 ( 5.010 -4.265 3.305) 7.363 4.795 ( -6.710 8.683 -4.367) 11.811 4.795 ( 6.710 8.683 4.367) 11.811 5.357 ( -3.420 -2.337 -9.218) 10.105 5.357 ( 3.420 -2.337 9.218) 10.105 5.657 ( 1.820 2.706 -6.304) 7.098 5.657 ( -1.820 2.706 6.304) 7.098 6.145 ( 1.053 2.244 -7.364) 7.770 6.145 ( -1.053 2.244 7.364) 7.770 6.481 ( -5.207 -2.262 -2.619) 6.252 6.481 ( 5.207 -2.262 2.619) 6.252 6.823 ( -8.416 -4.288 -14.648) 17.429 6.823 ( 8.416 -4.288 14.648) 17.429 7.452 ( 0.523 -3.518 -8.333) 9.061 7.452 ( -0.523 -3.518 8.333) 9.061 7.697 ( -3.209 1.478 -2.080) 4.100 7.697 ( 3.209 1.478 2.080) 4.100 11.052 ( 1.013 0.013 -0.488) 1.125 11.052 ( -1.013 0.013 0.488) 1.125 12.330 ( 0.351 -2.635 -2.771) 3.840 12.330 ( -0.351 -2.635 2.771) 3.840 13.012 ( 4.300 0.672 -4.818) 6.493 13.012 ( -4.300 0.672 4.818) 6.493 13.096 ( -6.444 -4.224 -8.918) 11.786 13.096 ( 6.444 -4.224 8.918) 11.786 14.310 ( 0.755 4.619 -3.387) 5.778 14.310 ( -0.755 4.619 3.387) 5.778 15.330 ( 2.192 3.340 -13.589) 14.164 15.330 ( -2.192 3.340 13.589) 14.164 16.467 ( -1.413 -1.680 -3.780) 4.371 16.467 ( 1.413 -1.680 3.780) 4.371 16.888 ( -5.176 1.824 0.592) 5.520 16.888 ( 5.176 1.824 -0.592) 5.520 ======================= Grid point 109 (50/56) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -2.581 9.110 -2.028) 9.683 0.768 ( -1.868 6.084 2.264) 6.755 0.859 ( -1.763 8.088 -2.242) 8.576 0.910 ( 4.774 6.982 7.331) 11.193 1.035 ( -0.203 0.970 -2.006) 2.238 1.067 ( 0.517 1.539 -2.332) 2.842 1.092 ( -0.934 0.369 1.634) 1.918 1.146 ( 0.023 -1.414 3.024) 3.339 1.190 ( -0.059 -0.902 0.685) 1.134 1.208 ( 2.029 0.872 0.822) 2.357 1.277 ( 0.457 -2.768 -0.039) 2.805 1.318 ( 1.252 2.862 0.106) 3.126 1.376 ( -3.318 -2.871 4.275) 6.126 1.410 ( -2.117 5.109 -3.587) 6.592 1.440 ( 0.279 0.201 2.303) 2.329 1.506 ( 0.770 2.495 -1.653) 3.090 1.556 ( 1.833 -1.793 -4.617) 5.281 1.657 ( -0.493 -1.653 -2.026) 2.661 1.690 ( -6.204 1.932 -2.150) 6.844 1.728 ( 2.313 -3.079 -2.423) 4.550 1.759 ( 0.288 -0.867 -3.521) 3.638 1.814 ( -1.657 1.026 -4.308) 4.729 1.839 ( -0.667 3.772 1.348) 4.061 1.885 ( 0.474 0.017 -1.472) 1.546 1.907 ( 1.358 2.494 -1.413) 3.172 1.947 ( -1.859 -0.231 2.165) 2.863 1.969 ( 2.123 6.286 3.956) 7.725 2.061 ( 0.049 3.016 1.002) 3.179 2.083 ( 3.456 -0.931 -2.033) 4.116 2.167 ( 0.252 -2.876 -2.154) 3.602 2.177 ( 5.714 1.546 6.197) 8.570 2.197 ( -1.600 -1.013 -0.735) 2.031 2.283 ( 3.884 -3.587 0.348) 5.299 2.397 ( -2.992 -1.696 3.126) 4.648 2.457 ( -2.945 -0.637 0.889) 3.142 2.482 ( 0.909 -2.334 1.362) 2.851 2.628 ( -5.819 1.242 -0.737) 5.996 2.729 ( -5.661 3.301 1.527) 6.729 2.854 ( 2.203 -0.840 0.538) 2.418 2.901 ( -1.274 0.132 1.217) 1.767 3.009 ( -1.771 0.222 -3.097) 3.574 3.060 ( 0.413 3.513 -2.002) 4.064 3.188 ( 0.377 1.582 -1.718) 2.365 3.229 ( -1.336 -1.847 -0.245) 2.293 3.352 ( -1.773 -2.836 -3.254) 4.666 3.384 ( -3.799 -4.125 5.461) 7.828 3.563 ( -1.244 -1.857 -0.302) 2.255 3.604 ( -0.007 -5.701 -1.254) 5.837 4.039 ( -3.839 -6.406 -1.479) 7.614 4.088 ( -2.913 -5.564 -1.793) 6.531 4.309 ( -4.885 -1.438 -3.591) 6.232 4.479 ( -4.310 -8.522 1.721) 9.704 4.688 ( -0.798 5.328 1.467) 5.583 4.966 ( 7.407 13.011 7.483) 16.738 5.207 ( -10.314 1.165 -0.134) 10.381 5.307 ( -7.283 7.549 3.801) 11.157 5.547 ( -3.643 -6.579 -0.335) 7.528 5.608 ( -4.084 -3.772 -0.014) 5.559 6.093 ( -5.072 -1.048 -2.719) 5.850 6.183 ( -0.099 2.738 -0.247) 2.751 6.415 ( -7.048 -12.841 -13.084) 19.640 6.512 ( -0.825 -5.363 4.403) 6.988 6.806 ( 14.293 6.821 3.986) 16.331 6.963 ( -0.322 -1.759 9.255) 9.426 7.541 ( 1.977 2.375 4.279) 5.278 7.593 ( 11.534 -1.809 -6.713) 13.467 7.641 ( 4.820 -4.042 -0.129) 6.292 7.748 ( 1.378 1.413 -2.343) 3.063 11.026 ( -0.941 0.775 0.366) 1.272 11.065 ( 0.205 -0.320 -0.375) 0.534 12.433 ( 8.549 -3.438 -1.683) 9.367 12.444 ( 8.888 -4.737 3.861) 10.787 12.950 ( -4.646 -1.163 -7.605) 8.987 12.957 ( -2.002 0.349 3.466) 4.018 13.114 ( 6.024 0.443 -4.849) 7.746 13.249 ( 6.042 -6.001 5.932) 10.378 14.332 ( 2.525 4.555 4.479) 6.869 14.353 ( 3.521 4.591 -1.438) 5.962 15.170 ( -13.346 5.494 6.003) 15.631 15.239 ( -8.842 2.613 -8.959) 12.856 16.396 ( -3.420 -0.295 -2.780) 4.417 16.439 ( -3.615 -0.481 1.250) 3.855 16.862 ( 2.309 2.519 0.876) 3.528 17.006 ( 4.698 -0.936 -2.159) 5.255 ======================= Grid point 110 (51/56) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 1.864 9.268 -5.938) 11.164 0.777 ( 3.006 6.829 3.434) 8.214 0.849 ( -0.841 4.325 1.080) 4.537 0.971 ( -3.191 5.520 2.075) 6.705 1.031 ( 2.215 2.773 2.702) 4.460 1.065 ( -1.994 2.266 -0.807) 3.124 1.092 ( 1.453 0.719 0.077) 1.623 1.106 ( -2.595 0.271 1.203) 2.873 1.168 ( -0.623 0.989 -0.177) 1.182 1.190 ( -3.031 1.864 -0.193) 3.563 1.261 ( -4.235 -0.846 4.305) 6.098 1.286 ( -1.683 2.024 3.010) 3.999 1.380 ( 2.540 0.858 -1.684) 3.165 1.439 ( 6.028 -2.883 -0.220) 6.686 1.501 ( 1.822 -1.599 -3.258) 4.061 1.512 ( 0.341 1.832 -0.794) 2.025 1.575 ( 1.480 -2.813 -1.613) 3.564 1.595 ( -1.946 -1.456 1.115) 2.674 1.653 ( -0.654 -1.019 -2.297) 2.596 1.715 ( -2.074 -2.610 -1.437) 3.630 1.753 ( 0.344 -2.148 -2.747) 3.504 1.824 ( 2.027 0.234 -2.175) 2.982 1.863 ( -2.183 -2.359 -4.555) 5.575 1.882 ( 3.711 4.927 2.054) 6.502 1.916 ( -0.979 2.037 1.982) 3.007 1.943 ( 1.355 0.586 0.262) 1.499 2.040 ( 4.371 7.777 -0.005) 8.921 2.049 ( -0.358 2.285 -1.409) 2.709 2.083 ( -3.012 -0.617 1.370) 3.366 2.143 ( 1.165 -0.030 -3.462) 3.653 2.177 ( 0.074 -1.737 -0.531) 1.818 2.286 ( 1.485 -0.413 0.758) 1.718 2.345 ( -6.201 0.973 0.778) 6.325 2.361 ( 0.475 0.210 1.484) 1.573 2.408 ( 0.659 -1.274 3.589) 3.865 2.491 ( 0.465 0.285 0.441) 0.701 2.553 ( -0.664 1.960 3.978) 4.485 2.615 ( -3.326 3.229 -0.816) 4.707 2.833 ( -3.664 -0.703 0.908) 3.840 2.870 ( -1.114 -0.631 -1.243) 1.785 3.032 ( 3.515 -1.408 0.799) 3.870 3.085 ( -0.052 2.652 -1.039) 2.849 3.132 ( 0.654 0.285 -0.299) 0.773 3.228 ( -0.998 -5.789 -2.323) 6.317 3.291 ( -2.798 -0.821 0.505) 2.959 3.366 ( -0.551 -0.520 -0.168) 0.776 3.523 ( -1.937 -2.155 0.877) 3.028 3.575 ( -2.373 -2.708 -0.820) 3.693 3.942 ( -5.224 -5.850 -1.980) 8.089 3.972 ( -7.560 -5.152 -3.500) 9.795 4.253 ( 0.417 -1.456 -1.659) 2.246 4.342 ( -3.644 -3.833 1.898) 5.619 4.779 ( 5.233 0.500 4.650) 7.018 4.884 ( -10.823 7.919 3.260) 13.801 5.161 ( -2.007 -2.759 1.644) 3.787 5.192 ( 2.492 8.745 7.044) 11.502 5.456 ( -6.202 1.201 -10.190) 11.989 5.629 ( 3.462 -7.041 8.155) 11.317 5.846 ( -12.493 -1.683 -11.440) 17.023 6.140 ( -0.808 -10.502 -1.007) 10.581 6.286 ( -3.614 -2.555 0.606) 4.468 6.572 ( -2.497 -3.173 2.511) 4.755 6.906 ( 2.025 -3.284 6.212) 7.313 7.060 ( 4.495 1.346 -1.987) 5.096 7.593 ( 4.830 4.975 3.552) 7.791 7.730 ( 1.342 7.164 -3.952) 8.291 7.815 ( 8.321 -4.771 2.507) 9.914 7.846 ( 7.154 -2.499 -4.174) 8.651 11.025 ( 0.700 0.931 0.329) 1.211 11.062 ( -0.375 -0.150 -0.345) 0.531 12.577 ( 4.852 -4.427 2.233) 6.938 12.631 ( 5.132 -7.393 0.170) 9.001 12.893 ( 1.358 1.566 -2.391) 3.165 12.955 ( 0.637 1.303 0.465) 1.524 13.236 ( 6.217 -1.297 -3.978) 7.494 13.347 ( 2.174 -6.073 3.264) 7.229 14.421 ( 5.004 4.435 4.527) 8.075 14.459 ( 7.003 4.545 -0.150) 8.350 14.870 ( -14.236 5.729 2.311) 15.518 14.982 ( -13.171 1.840 -7.180) 15.114 16.342 ( -1.262 0.775 -1.409) 2.044 16.372 ( -2.556 0.692 0.549) 2.705 16.938 ( 3.966 1.351 1.410) 4.420 17.051 ( 0.069 -0.867 -2.240) 2.403 ======================= Grid point 111 (52/56) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -2.876 5.411 -0.249) 6.133 0.736 ( 2.876 5.411 0.249) 6.133 0.892 ( -5.631 4.634 -0.439) 7.306 0.892 ( 5.631 4.634 0.439) 7.306 1.032 ( -1.011 1.172 -3.289) 3.635 1.032 ( 1.011 1.172 3.289) 3.635 1.112 ( -1.777 3.690 -2.443) 4.769 1.112 ( 1.777 3.690 2.443) 4.769 1.166 ( -0.607 1.466 -3.627) 3.959 1.166 ( 0.607 1.466 3.627) 3.959 1.226 ( -1.358 2.501 -2.048) 3.506 1.226 ( 1.358 2.501 2.048) 3.506 1.439 ( -2.938 -2.362 -1.150) 3.941 1.439 ( 2.938 -2.362 1.150) 3.941 1.537 ( -0.862 -1.258 -0.675) 1.668 1.537 ( 0.862 -1.258 0.675) 1.668 1.592 ( -2.742 -1.657 -2.569) 4.106 1.592 ( 2.742 -1.657 2.569) 4.106 1.689 ( -3.130 -2.173 -1.132) 3.975 1.689 ( 3.130 -2.173 1.132) 3.975 1.753 ( -1.636 -1.786 -1.827) 3.034 1.753 ( 1.636 -1.786 1.827) 3.034 1.891 ( 1.843 3.390 -2.919) 4.838 1.891 ( -1.843 3.390 2.919) 4.838 1.937 ( -1.689 1.385 -2.216) 3.111 1.937 ( 1.689 1.385 2.216) 3.111 2.084 ( -2.057 0.916 -1.357) 2.629 2.084 ( 2.057 0.916 1.357) 2.629 2.125 ( -1.899 -0.974 -2.129) 3.014 2.125 ( 1.899 -0.974 2.129) 3.014 2.184 ( 1.224 1.621 -3.852) 4.355 2.184 ( -1.224 1.621 3.852) 4.355 2.355 ( -0.899 -0.425 -2.441) 2.635 2.355 ( 0.899 -0.425 2.441) 2.635 2.407 ( 4.767 2.544 -1.710) 5.668 2.407 ( -4.767 2.544 1.710) 5.668 2.609 ( -0.075 3.082 -4.321) 5.308 2.609 ( 0.075 3.082 4.321) 5.308 2.812 ( -2.260 -2.558 -1.921) 3.917 2.812 ( 2.260 -2.558 1.921) 3.917 3.101 ( 0.466 1.151 -2.341) 2.650 3.101 ( -0.466 1.151 2.341) 2.650 3.161 ( -2.497 -2.321 -0.725) 3.486 3.161 ( 2.497 -2.321 0.725) 3.486 3.311 ( -3.557 -1.531 -1.609) 4.193 3.311 ( 3.557 -1.531 1.609) 4.193 3.522 ( -1.656 -0.950 -1.844) 2.654 3.522 ( 1.656 -0.950 1.844) 2.654 3.871 ( -0.288 -5.562 -2.855) 6.259 3.871 ( 0.288 -5.562 2.855) 6.259 4.296 ( -2.762 -1.324 0.773) 3.159 4.296 ( 2.762 -1.324 -0.773) 3.159 4.801 ( -1.492 1.485 -4.130) 4.636 4.801 ( 1.492 1.485 4.130) 4.636 5.206 ( -4.823 -4.586 -3.548) 7.543 5.206 ( 4.823 -4.586 3.548) 7.543 5.436 ( -9.512 6.256 -1.587) 11.495 5.436 ( 9.512 6.256 1.587) 11.495 5.959 ( -7.332 -6.652 -9.484) 13.709 5.959 ( 7.332 -6.652 9.484) 13.709 6.398 ( -9.353 -2.213 -3.141) 10.111 6.398 ( 9.353 -2.213 3.141) 10.111 7.030 ( -4.701 -5.326 -6.801) 9.835 7.030 ( 4.701 -5.326 6.801) 9.835 7.704 ( -3.176 8.171 -5.101) 10.143 7.704 ( 3.176 8.171 5.101) 10.143 7.915 ( 0.267 -2.912 -9.469) 9.910 7.915 ( -0.267 -2.912 9.469) 9.910 11.047 ( -1.021 0.417 -0.383) 1.168 11.047 ( 1.021 0.417 0.383) 1.168 12.646 ( -1.473 -5.534 -4.191) 7.096 12.646 ( 1.473 -5.534 4.191) 7.096 12.950 ( -0.775 1.779 -3.819) 4.284 12.950 ( 0.775 1.779 3.819) 4.284 13.338 ( 1.283 -4.254 -6.853) 8.167 13.338 ( -1.283 -4.254 6.853) 8.167 14.548 ( -1.008 6.222 -10.232) 12.017 14.548 ( 1.008 6.222 10.232) 12.017 14.730 ( -2.858 1.131 -12.709) 13.075 14.730 ( 2.858 1.131 12.709) 13.075 16.337 ( 0.517 1.007 -0.997) 1.509 16.337 ( -0.517 1.007 0.997) 1.509 17.014 ( -2.549 0.301 -2.164) 3.357 17.014 ( 2.549 0.301 2.164) 3.357 ======================= Grid point 115 (53/56) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.297 7.185 -3.749) 8.109 0.889 ( -0.297 7.185 3.749) 8.109 0.970 ( -0.441 2.621 -4.076) 4.866 0.970 ( 0.441 2.621 4.076) 4.866 1.025 ( -0.878 -2.148 -2.398) 3.337 1.025 ( 0.878 -2.148 2.398) 3.337 1.168 ( 2.940 -3.249 -4.934) 6.599 1.168 ( -2.940 -3.249 4.934) 6.599 1.188 ( -2.876 2.287 -2.158) 4.262 1.188 ( 2.876 2.287 2.158) 4.262 1.219 ( -1.847 0.026 -1.722) 2.526 1.219 ( 1.847 0.026 1.722) 2.526 1.424 ( -0.799 -0.124 -1.638) 1.827 1.424 ( 0.799 -0.124 1.638) 1.827 1.501 ( 1.239 -0.384 -4.316) 4.507 1.501 ( -1.239 -0.384 4.316) 4.507 1.617 ( 3.677 2.535 -2.587) 5.161 1.617 ( -3.677 2.535 2.587) 5.161 1.677 ( 0.647 -3.139 -0.517) 3.246 1.677 ( -0.647 -3.139 0.517) 3.246 1.839 ( -0.588 -0.444 -1.603) 1.765 1.839 ( 0.588 -0.444 1.603) 1.765 1.901 ( -1.983 1.110 -2.162) 3.136 1.901 ( 1.983 1.110 2.162) 3.136 1.942 ( -3.619 -1.621 -6.143) 7.312 1.942 ( 3.619 -1.621 6.143) 7.312 2.039 ( -2.296 2.630 -1.114) 3.665 2.039 ( 2.296 2.630 1.114) 3.665 2.080 ( -2.876 3.412 -2.424) 5.078 2.080 ( 2.876 3.412 2.424) 5.078 2.145 ( 0.736 -1.816 -3.533) 4.040 2.145 ( -0.736 -1.816 3.533) 4.040 2.295 ( -3.331 -1.911 -3.308) 5.069 2.295 ( 3.331 -1.911 3.308) 5.069 2.474 ( 0.302 -0.182 -1.816) 1.850 2.474 ( -0.302 -0.182 1.816) 1.850 2.800 ( -0.753 2.754 -0.507) 2.900 2.800 ( 0.753 2.754 0.507) 2.900 2.888 ( 0.763 0.997 -1.387) 1.871 2.888 ( -0.763 0.997 1.387) 1.871 3.070 ( -2.555 0.949 -0.963) 2.890 3.070 ( 2.555 0.949 0.963) 2.890 3.184 ( -3.444 -3.040 -2.587) 5.273 3.184 ( 3.444 -3.040 2.587) 5.273 3.315 ( -0.336 -3.314 -3.060) 4.523 3.315 ( 0.336 -3.314 3.060) 4.523 3.555 ( 0.249 -0.088 -1.016) 1.049 3.555 ( -0.249 -0.088 1.016) 1.049 4.022 ( -0.398 -2.138 -0.947) 2.372 4.022 ( 0.398 -2.138 0.947) 2.372 4.353 ( -1.807 -2.504 -1.398) 3.390 4.353 ( 1.807 -2.504 1.398) 3.390 4.982 ( -7.279 9.121 -5.803) 13.033 4.982 ( 7.279 9.121 5.803) 13.033 5.238 ( -5.582 -7.584 -7.380) 11.965 5.238 ( 5.582 -7.584 7.380) 11.965 5.757 ( 1.000 4.419 -0.873) 4.614 5.757 ( -1.000 4.419 0.873) 4.614 6.157 ( -1.668 -0.068 -5.562) 5.807 6.157 ( 1.668 -0.068 5.562) 5.807 6.410 ( 3.310 -3.449 -3.286) 5.801 6.410 ( -3.310 -3.449 3.286) 5.801 6.807 ( -3.684 1.042 -4.788) 6.130 6.807 ( 3.684 1.042 4.788) 6.130 7.372 ( 0.638 -3.430 -4.211) 5.469 7.372 ( -0.638 -3.430 4.211) 5.469 7.733 ( -1.178 1.443 -1.258) 2.248 7.733 ( 1.178 1.443 1.258) 2.248 11.053 ( 0.315 0.014 -0.178) 0.362 11.053 ( -0.315 0.014 0.178) 0.362 12.293 ( 0.186 -1.059 -0.907) 1.406 12.293 ( -0.186 -1.059 0.907) 1.406 13.002 ( 1.135 -1.029 -4.142) 4.416 13.002 ( -1.135 -1.029 4.142) 4.416 13.059 ( -1.879 -0.257 -1.293) 2.296 13.059 ( 1.879 -0.257 1.293) 2.296 14.387 ( 0.441 2.608 -1.413) 2.998 14.387 ( -0.441 2.608 1.413) 2.998 15.359 ( 0.627 0.334 -5.367) 5.414 15.359 ( -0.627 0.334 5.367) 5.414 16.443 ( -0.617 -0.646 -1.258) 1.543 16.443 ( 0.617 -0.646 1.258) 1.543 16.913 ( -1.837 0.694 0.179) 1.972 16.913 ( 1.837 0.694 -0.179) 1.972 ======================= Grid point 117 (54/56) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -1.861 9.918 3.547) 10.696 0.882 ( -0.298 6.293 -0.896) 6.363 0.956 ( -0.996 -0.515 -1.359) 1.762 1.020 ( 1.977 -0.220 2.150) 2.929 1.033 ( 1.148 1.822 0.985) 2.368 1.052 ( -0.917 -1.814 4.128) 4.601 1.108 ( -1.241 -1.134 0.780) 1.853 1.129 ( -1.618 -0.666 1.645) 2.402 1.169 ( 1.935 3.026 -3.614) 5.095 1.207 ( -1.503 -0.331 -0.123) 1.544 1.235 ( 0.413 -2.148 -0.435) 2.230 1.259 ( 4.442 -5.218 -2.661) 7.351 1.397 ( -2.411 3.387 6.105) 7.386 1.441 ( 1.183 -0.330 -0.166) 1.240 1.488 ( -3.041 0.174 2.280) 3.805 1.504 ( -0.492 -1.310 0.638) 1.538 1.581 ( 0.141 4.294 -3.360) 5.454 1.654 ( -2.541 1.688 -3.677) 4.778 1.668 ( 0.464 -2.344 -2.525) 3.477 1.709 ( 0.189 -2.367 -3.920) 4.583 1.758 ( -4.053 2.517 -0.589) 4.808 1.808 ( -0.890 0.262 -2.885) 3.031 1.837 ( -2.023 -2.483 -2.524) 4.078 1.904 ( 1.336 -3.122 -1.442) 3.689 1.928 ( 0.228 2.367 1.774) 2.967 1.968 ( -0.946 0.572 -1.446) 1.820 2.035 ( 3.164 0.259 0.809) 3.276 2.084 ( 1.158 -3.049 2.509) 4.115 2.103 ( 4.489 5.721 -1.414) 7.408 2.138 ( -0.713 2.217 -0.404) 2.364 2.189 ( 1.718 -2.002 -2.287) 3.491 2.210 ( 5.529 -3.147 1.286) 6.490 2.253 ( 1.511 5.438 2.587) 6.209 2.351 ( 0.170 -3.694 3.008) 4.767 2.445 ( -2.042 0.549 0.981) 2.331 2.463 ( 0.129 -0.369 3.697) 3.718 2.710 ( -5.901 6.873 0.455) 9.070 2.801 ( -5.513 2.160 1.590) 6.131 2.839 ( 0.984 -0.694 -0.355) 1.255 2.887 ( -1.912 -1.890 -1.971) 3.333 3.023 ( -1.364 1.160 -2.065) 2.733 3.088 ( -2.029 -6.918 -1.873) 7.449 3.150 ( 1.768 5.662 -0.312) 5.940 3.235 ( -0.511 -0.340 -2.332) 2.411 3.284 ( -2.507 -3.808 3.605) 5.812 3.305 ( 0.249 -3.563 0.039) 3.572 3.523 ( -1.697 -1.237 -0.211) 2.111 3.531 ( -1.781 -1.411 -0.066) 2.273 3.977 ( -3.284 -0.401 -1.197) 3.519 4.005 ( -2.641 -3.017 -2.056) 4.506 4.293 ( -3.635 0.452 -0.832) 3.756 4.346 ( -3.780 -5.192 0.598) 6.450 4.852 ( -2.708 10.725 0.068) 11.062 5.049 ( -1.061 -7.829 3.771) 8.755 5.264 ( 7.311 8.428 3.046) 11.565 5.376 ( 3.081 -1.878 9.242) 9.921 5.513 ( -15.466 2.778 -0.217) 15.715 5.571 ( -12.837 -1.516 -2.818) 13.230 6.066 ( -8.120 1.070 -12.159) 14.661 6.175 ( -14.723 -9.177 -16.183) 23.725 6.266 ( 3.392 3.954 7.366) 9.022 6.380 ( 1.642 -7.336 7.359) 10.520 6.929 ( 7.628 4.864 4.932) 10.304 6.967 ( 5.826 0.632 8.154) 10.042 7.481 ( 9.181 -2.007 0.811) 9.433 7.524 ( 10.663 -5.634 -0.930) 12.095 7.696 ( 1.856 5.788 -4.171) 7.372 7.764 ( 2.040 -1.043 -3.977) 4.589 11.042 ( -0.380 0.810 0.115) 0.902 11.056 ( 0.030 -0.609 -0.171) 0.633 12.380 ( 7.457 -1.546 0.506) 7.633 12.383 ( 6.907 -1.732 -0.464) 7.136 12.938 ( -2.758 0.240 -2.272) 3.582 12.953 ( -1.582 -0.882 2.089) 2.765 13.130 ( 5.210 1.117 -1.873) 5.648 13.163 ( 5.314 -2.815 1.661) 6.238 14.412 ( 2.469 3.032 2.902) 4.869 14.424 ( 3.116 1.971 0.126) 3.690 15.231 ( -11.183 1.816 0.609) 11.345 15.255 ( -9.786 -0.562 -2.848) 10.207 16.401 ( -2.436 0.787 -0.681) 2.649 16.422 ( -2.329 -1.196 0.861) 2.756 16.919 ( 2.095 3.185 -0.156) 3.816 16.974 ( 3.224 -2.400 -0.945) 4.129 ======================= Grid point 118 (55/56) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.557 9.895 -4.695) 10.967 0.889 ( 1.045 4.425 2.948) 5.419 0.919 ( -2.359 1.828 2.006) 3.596 0.996 ( -3.270 -6.054 -4.542) 8.245 1.046 ( 0.842 -0.343 1.739) 1.963 1.049 ( -0.599 -0.447 3.635) 3.711 1.093 ( 1.141 2.798 2.625) 4.003 1.149 ( -0.277 -2.466 3.092) 3.965 1.201 ( 0.255 2.004 3.404) 3.958 1.222 ( 1.657 2.739 -1.087) 3.381 1.247 ( 0.475 2.030 -0.523) 2.149 1.349 ( -0.793 4.099 3.475) 5.432 1.364 ( 2.980 -4.832 -1.608) 5.900 1.414 ( -1.631 -0.372 -2.609) 3.100 1.487 ( 2.245 0.949 -0.576) 2.505 1.510 ( 1.440 -0.578 -0.420) 1.607 1.548 ( 0.770 -0.799 0.046) 1.110 1.570 ( -2.337 -0.660 -2.898) 3.781 1.644 ( -2.639 -1.511 -1.648) 3.459 1.668 ( -1.587 -2.689 -3.007) 4.335 1.712 ( -1.260 1.508 -0.973) 2.193 1.790 ( -1.846 -4.813 -3.214) 6.075 1.859 ( 2.732 3.429 -1.062) 4.511 1.922 ( 0.260 -2.178 -0.887) 2.366 1.960 ( 2.774 2.236 2.419) 4.307 1.970 ( 1.255 2.057 0.910) 2.576 2.085 ( -3.261 0.913 1.763) 3.818 2.102 ( 1.438 -1.228 -1.639) 2.502 2.116 ( 0.481 2.638 -0.506) 2.729 2.152 ( -1.012 1.085 1.208) 1.913 2.192 ( 0.964 3.003 -0.661) 3.222 2.279 ( 1.481 -3.345 -2.167) 4.252 2.298 ( -0.669 0.554 1.490) 1.725 2.356 ( -1.858 -2.726 3.104) 4.529 2.423 ( 0.275 3.687 -1.261) 3.906 2.484 ( 2.829 -1.864 1.318) 3.635 2.632 ( -0.108 6.480 3.016) 7.149 2.692 ( -4.238 2.810 0.453) 5.105 2.811 ( -3.505 -1.714 -0.429) 3.925 2.830 ( -2.952 -4.083 -2.379) 5.572 3.028 ( 2.492 1.384 0.108) 2.852 3.073 ( 1.869 -3.166 0.931) 3.793 3.178 ( 0.340 3.339 -0.798) 3.450 3.188 ( -1.596 3.745 -1.511) 4.342 3.260 ( -1.335 -3.026 1.022) 3.461 3.299 ( -1.508 -6.008 -0.075) 6.195 3.492 ( -0.753 -0.628 0.256) 1.013 3.508 ( -0.847 -2.629 0.103) 2.764 3.868 ( -6.600 -1.416 -2.112) 7.073 3.887 ( -7.524 -3.129 -2.930) 8.660 4.245 ( 0.323 0.491 0.332) 0.675 4.275 ( -0.702 -2.698 1.470) 3.152 4.880 ( 3.149 8.751 4.012) 10.129 5.048 ( -2.643 -2.743 3.741) 5.339 5.078 ( -13.323 4.697 0.826) 14.151 5.228 ( -10.800 -5.218 1.510) 12.089 5.517 ( 4.415 4.872 -2.664) 7.094 5.565 ( 8.838 -0.704 4.400) 9.898 5.798 ( -14.476 -0.396 -12.090) 18.865 5.912 ( -5.700 -11.361 -5.344) 13.788 6.320 ( 1.463 5.573 4.683) 7.425 6.459 ( 2.156 -7.962 5.046) 9.670 6.936 ( -3.261 5.066 3.161) 6.804 7.034 ( -2.335 -3.934 -0.137) 4.577 7.673 ( 8.706 2.757 3.411) 9.749 7.730 ( 8.725 -3.770 4.416) 10.480 7.823 ( 6.076 1.970 -5.643) 8.524 7.830 ( 5.099 1.126 -6.176) 8.088 11.043 ( 0.414 0.868 0.081) 0.965 11.056 ( 0.025 -0.509 -0.160) 0.535 12.511 ( 4.387 -1.769 0.784) 4.795 12.525 ( 4.701 -3.292 -0.686) 5.780 12.929 ( 2.160 2.048 -0.077) 2.978 12.960 ( 1.678 -0.875 0.417) 1.938 13.226 ( 4.051 0.325 -1.726) 4.415 13.256 ( 2.967 -3.082 1.257) 4.458 14.499 ( 5.414 3.153 2.907) 6.907 14.521 ( 6.279 1.205 1.158) 6.498 14.947 ( -14.595 2.912 -0.710) 14.899 14.988 ( -13.988 -1.170 -3.099) 14.374 16.362 ( -1.050 1.164 -0.177) 1.578 16.378 ( -1.700 -0.271 0.540) 1.804 16.973 ( 2.633 2.325 0.092) 3.514 17.019 ( 1.099 -2.256 -1.021) 2.709 ======================= Grid point 119 (56/56) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 2.725 5.149 -3.858) 6.987 0.845 ( -2.725 5.149 3.858) 6.987 0.944 ( -1.886 -0.710 -4.943) 5.338 0.944 ( 1.886 -0.710 4.943) 5.338 1.039 ( 0.067 0.821 -1.459) 1.676 1.039 ( -0.067 0.821 1.459) 1.676 1.155 ( -2.460 1.344 -2.995) 4.102 1.155 ( 2.460 1.344 2.995) 4.102 1.186 ( -2.631 -0.556 -3.272) 4.235 1.186 ( 2.631 -0.556 3.272) 4.235 1.300 ( -3.483 5.370 0.306) 6.409 1.300 ( 3.483 5.370 -0.306) 6.409 1.391 ( -1.084 -3.367 -0.122) 3.539 1.391 ( 1.084 -3.367 0.122) 3.539 1.541 ( -0.136 1.464 -2.909) 3.260 1.541 ( 0.136 1.464 2.909) 3.260 1.572 ( -0.309 -0.548 -2.556) 2.632 1.572 ( 0.309 -0.548 2.556) 2.632 1.634 ( -1.173 -2.448 -1.279) 3.001 1.634 ( 1.173 -2.448 1.279) 3.001 1.722 ( -2.868 -1.747 -3.311) 4.716 1.722 ( 2.868 -1.747 3.311) 4.716 1.912 ( 0.530 -0.296 -0.888) 1.075 1.912 ( -0.530 -0.296 0.888) 1.075 1.995 ( -0.106 2.888 -1.306) 3.171 1.995 ( 0.106 2.888 1.306) 3.171 2.061 ( -2.582 -1.771 -1.960) 3.694 2.061 ( 2.582 -1.771 1.960) 3.694 2.135 ( -0.472 2.192 -1.902) 2.940 2.135 ( 0.472 2.192 1.902) 2.940 2.222 ( 1.170 1.706 -3.557) 4.114 2.222 ( -1.170 1.706 3.557) 4.114 2.297 ( 2.177 -4.107 -4.105) 6.201 2.297 ( -2.177 -4.107 4.105) 6.201 2.501 ( -4.665 4.726 1.339) 6.774 2.501 ( 4.665 4.726 -1.339) 6.774 2.652 ( -1.382 0.286 -2.384) 2.771 2.652 ( 1.382 0.286 2.384) 2.771 2.772 ( -1.405 -0.703 -1.404) 2.107 2.772 ( 1.405 -0.703 1.404) 2.107 3.100 ( -1.992 -1.362 -1.921) 3.084 3.100 ( 1.992 -1.362 1.921) 3.084 3.170 ( -2.066 3.397 -1.432) 4.226 3.170 ( 2.066 3.397 1.432) 4.226 3.252 ( -1.916 -3.998 -1.122) 4.573 3.252 ( 1.916 -3.998 1.122) 4.573 3.493 ( -0.225 -1.501 -0.602) 1.633 3.493 ( 0.225 -1.501 0.602) 1.633 3.781 ( -0.582 -2.767 -0.719) 2.917 3.781 ( 0.582 -2.767 0.719) 2.917 4.281 ( -0.869 -0.364 0.073) 0.945 4.281 ( 0.869 -0.364 -0.073) 0.945 4.891 ( -0.463 6.084 -1.325) 6.243 4.891 ( 0.463 6.084 1.325) 6.243 5.098 ( -5.593 -5.599 -1.120) 7.993 5.098 ( 5.593 -5.599 1.120) 7.993 5.566 ( -4.286 6.139 -3.473) 8.253 5.566 ( 4.286 6.139 3.473) 8.253 5.780 ( -4.412 -8.796 -6.621) 11.861 5.780 ( 4.412 -8.796 6.622) 11.861 6.411 ( -5.193 1.368 -1.376) 5.544 6.411 ( 5.193 1.368 1.376) 5.544 6.943 ( -3.154 -2.852 -3.597) 5.569 6.943 ( 3.154 -2.852 3.597) 5.569 7.813 ( -2.462 1.804 -3.924) 4.971 7.813 ( 2.462 1.804 3.924) 4.971 7.880 ( -1.103 0.234 -5.594) 5.707 7.880 ( 1.103 0.234 5.594) 5.707 11.053 ( -0.368 0.195 -0.137) 0.439 11.053 ( 0.368 0.195 0.137) 0.439 12.561 ( -0.406 -2.628 -1.445) 3.027 12.561 ( 0.406 -2.628 1.445) 3.027 12.978 ( -0.485 0.953 -1.787) 2.082 12.978 ( 0.485 0.953 1.787) 2.082 13.279 ( 0.576 -1.686 -2.864) 3.373 13.279 ( -0.576 -1.686 2.864) 3.373 14.646 ( -0.969 3.516 -8.561) 9.306 14.646 ( 0.969 3.516 8.561) 9.306 14.732 ( -1.131 -0.751 -9.891) 9.984 14.732 ( 1.131 -0.751 9.891) 9.984 16.356 ( 0.423 0.683 -0.231) 0.836 16.356 ( -0.423 0.683 0.231) 0.836 17.016 ( -0.971 -0.042 -0.858) 1.296 17.016 ( 0.971 -0.042 0.858) 1.296 =================== 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 3/14112 10.0 11.778 14.549 13.594 0.000 2.274 0.000 3/14112 20.0 2.576 3.171 2.963 0.000 0.459 0.000 3/14112 30.0 1.371 1.640 1.565 0.000 0.226 0.000 3/14112 40.0 0.960 1.119 1.083 0.000 0.153 0.000 3/14112 50.0 0.762 0.864 0.847 0.000 0.121 0.000 3/14112 60.0 0.647 0.715 0.707 0.000 0.105 0.000 3/14112 70.0 0.571 0.617 0.615 0.000 0.095 0.000 3/14112 80.0 0.516 0.547 0.549 0.000 0.088 0.000 3/14112 90.0 0.474 0.494 0.500 0.000 0.082 0.000 3/14112 100.0 0.441 0.452 0.461 0.000 0.077 0.000 3/14112 110.0 0.413 0.419 0.429 0.000 0.072 0.000 3/14112 120.0 0.389 0.391 0.404 0.000 0.068 0.000 3/14112 130.0 0.369 0.367 0.382 0.000 0.065 0.000 3/14112 140.0 0.351 0.347 0.363 0.000 0.062 0.000 3/14112 150.0 0.335 0.329 0.346 0.000 0.059 0.000 3/14112 160.0 0.321 0.313 0.332 0.000 0.056 0.000 3/14112 170.0 0.308 0.299 0.319 0.000 0.053 0.000 3/14112 180.0 0.296 0.287 0.307 0.000 0.051 0.000 3/14112 190.0 0.285 0.275 0.296 0.000 0.049 0.000 3/14112 200.0 0.275 0.264 0.285 0.000 0.047 0.000 3/14112 210.0 0.266 0.255 0.276 0.000 0.045 0.000 3/14112 220.0 0.257 0.246 0.267 0.000 0.043 0.000 3/14112 230.0 0.249 0.237 0.259 0.000 0.041 0.000 3/14112 240.0 0.241 0.229 0.251 0.000 0.040 0.000 3/14112 250.0 0.233 0.222 0.243 0.000 0.038 0.000 3/14112 260.0 0.227 0.215 0.236 0.000 0.037 0.000 3/14112 270.0 0.220 0.208 0.230 0.000 0.036 0.000 3/14112 280.0 0.214 0.202 0.224 0.000 0.035 0.000 3/14112 290.0 0.208 0.196 0.218 0.000 0.034 0.000 3/14112 300.0 0.202 0.191 0.212 0.000 0.033 0.000 3/14112 310.0 0.197 0.186 0.206 0.000 0.032 0.000 3/14112 320.0 0.192 0.181 0.201 0.000 0.031 0.000 3/14112 330.0 0.187 0.176 0.196 0.000 0.030 0.000 3/14112 340.0 0.182 0.172 0.191 0.000 0.029 0.000 3/14112 350.0 0.178 0.167 0.187 0.000 0.028 0.000 3/14112 360.0 0.174 0.163 0.183 0.000 0.028 0.000 3/14112 370.0 0.170 0.159 0.178 0.000 0.027 0.000 3/14112 380.0 0.166 0.156 0.174 0.000 0.026 0.000 3/14112 390.0 0.162 0.152 0.171 0.000 0.026 0.000 3/14112 400.0 0.159 0.149 0.167 0.000 0.025 0.000 3/14112 410.0 0.155 0.145 0.163 0.000 0.024 0.000 3/14112 420.0 0.152 0.142 0.160 0.000 0.024 0.000 3/14112 430.0 0.149 0.139 0.157 0.000 0.023 0.000 3/14112 440.0 0.146 0.136 0.154 0.000 0.023 0.000 3/14112 450.0 0.143 0.134 0.151 0.000 0.022 0.000 3/14112 460.0 0.140 0.131 0.148 0.000 0.022 0.000 3/14112 470.0 0.137 0.128 0.145 0.000 0.021 0.000 3/14112 480.0 0.135 0.126 0.142 0.000 0.021 0.000 3/14112 490.0 0.132 0.124 0.140 0.000 0.021 0.000 3/14112 500.0 0.130 0.121 0.137 0.000 0.020 0.000 3/14112 510.0 0.128 0.119 0.135 0.000 0.020 0.000 3/14112 520.0 0.125 0.117 0.132 0.000 0.019 0.000 3/14112 530.0 0.123 0.115 0.130 0.000 0.019 0.000 3/14112 540.0 0.121 0.113 0.128 0.000 0.019 0.000 3/14112 550.0 0.119 0.111 0.126 0.000 0.018 0.000 3/14112 560.0 0.117 0.109 0.124 0.000 0.018 0.000 3/14112 570.0 0.115 0.107 0.122 0.000 0.018 0.000 3/14112 580.0 0.113 0.106 0.120 0.000 0.017 0.000 3/14112 590.0 0.112 0.104 0.118 0.000 0.017 0.000 3/14112 600.0 0.110 0.102 0.116 0.000 0.017 0.000 3/14112 610.0 0.108 0.101 0.114 0.000 0.017 0.000 3/14112 620.0 0.106 0.099 0.112 0.000 0.016 0.000 3/14112 630.0 0.105 0.098 0.111 0.000 0.016 0.000 3/14112 640.0 0.103 0.096 0.109 0.000 0.016 0.000 3/14112 650.0 0.102 0.095 0.108 0.000 0.016 0.000 3/14112 660.0 0.100 0.093 0.106 0.000 0.015 0.000 3/14112 670.0 0.099 0.092 0.105 0.000 0.015 0.000 3/14112 680.0 0.098 0.091 0.103 0.000 0.015 0.000 3/14112 690.0 0.096 0.089 0.102 0.000 0.015 0.000 3/14112 700.0 0.095 0.088 0.100 0.000 0.014 0.000 3/14112 710.0 0.094 0.087 0.099 0.000 0.014 0.000 3/14112 720.0 0.092 0.086 0.098 0.000 0.014 0.000 3/14112 730.0 0.091 0.085 0.096 0.000 0.014 0.000 3/14112 740.0 0.090 0.084 0.095 0.000 0.014 0.000 3/14112 750.0 0.089 0.083 0.094 0.000 0.014 0.000 3/14112 760.0 0.088 0.082 0.093 0.000 0.013 0.000 3/14112 770.0 0.087 0.080 0.092 0.000 0.013 0.000 3/14112 780.0 0.086 0.079 0.090 0.000 0.013 0.000 3/14112 790.0 0.085 0.079 0.089 0.000 0.013 0.000 3/14112 800.0 0.083 0.078 0.088 0.000 0.013 0.000 3/14112 810.0 0.082 0.077 0.087 0.000 0.013 0.000 3/14112 820.0 0.082 0.076 0.086 0.000 0.012 0.000 3/14112 830.0 0.081 0.075 0.085 0.000 0.012 0.000 3/14112 840.0 0.080 0.074 0.084 0.000 0.012 0.000 3/14112 850.0 0.079 0.073 0.083 0.000 0.012 0.000 3/14112 860.0 0.078 0.072 0.082 0.000 0.012 0.000 3/14112 870.0 0.077 0.071 0.081 0.000 0.012 0.000 3/14112 880.0 0.076 0.071 0.081 0.000 0.012 0.000 3/14112 890.0 0.075 0.070 0.080 0.000 0.011 0.000 3/14112 900.0 0.075 0.069 0.079 0.000 0.011 0.000 3/14112 910.0 0.074 0.068 0.078 0.000 0.011 0.000 3/14112 920.0 0.073 0.068 0.077 0.000 0.011 0.000 3/14112 930.0 0.072 0.067 0.076 0.000 0.011 0.000 3/14112 940.0 0.071 0.066 0.076 0.000 0.011 0.000 3/14112 950.0 0.071 0.066 0.075 0.000 0.011 0.000 3/14112 960.0 0.070 0.065 0.074 0.000 0.011 0.000 3/14112 970.0 0.069 0.064 0.073 0.000 0.010 0.000 3/14112 980.0 0.069 0.064 0.073 0.000 0.010 0.000 3/14112 990.0 0.068 0.063 0.072 0.000 0.010 0.000 3/14112 1000.0 0.067 0.062 0.071 0.000 0.010 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m674.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:21:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|