----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:45:19]------------------------- 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_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.184505070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.933216849999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.790082300000000 Atomic positions (fractional): *1 Tm 0.01892402779771 0.39685768288359 0.03576231514379 168.934 *2 Tm 0.04139980153111 0.28235247017960 0.63256978876073 168.934 3 Tm 0.45860019846889 0.71764752982041 0.13256978876073 168.934 4 Tm 0.48107597220229 0.60314231711641 0.53576231514379 168.934 5 Tm 0.51892402779771 0.10314231711641 0.96423768485621 168.934 6 Tm 0.54139980153111 0.21764752982041 0.36743021123927 168.934 7 Tm 0.95860019846889 0.78235247017959 0.86743021123927 168.934 8 Tm 0.98107597220229 0.89685768288359 0.46423768485622 168.934 *9 Te 0.03870595072646 0.00550656534944 0.15007073320792 127.600 10 Te 0.46129404927355 0.99449343465056 0.65007073320792 127.600 11 Te 0.53870595072646 0.49449343465056 0.84992926679208 127.600 12 Te 0.96129404927354 0.50550656534944 0.34992926679208 127.600 *13 O 0.08817889675326 0.65735177180233 0.47225527151262 15.999 *14 O 0.17061781125315 0.55092733386840 0.19575137336273 15.999 *15 O 0.19001117752781 0.85633309066653 0.26511332936274 15.999 *16 O 0.17380071836344 0.85805389199321 0.67969403453014 15.999 *17 O 0.23752443235132 0.38516898822339 0.43096486894070 15.999 *18 O 0.24519845526028 0.91232008030807 0.00434800409047 15.999 19 O 0.25480154473972 0.08767991969193 0.50434800409047 15.999 20 O 0.26247556764868 0.61483101177661 0.93096486894070 15.999 21 O 0.32619928163656 0.14194610800679 0.17969403453014 15.999 22 O 0.30998882247219 0.14366690933347 0.76511332936274 15.999 23 O 0.32938218874685 0.44907266613160 0.69575137336273 15.999 24 O 0.41182110324674 0.34264822819766 0.97225527151262 15.999 25 O 0.58817889675325 0.84264822819767 0.52774472848738 15.999 26 O 0.67061781125315 0.94907266613160 0.80424862663727 15.999 27 O 0.69001117752781 0.64366690933347 0.73488667063726 15.999 28 O 0.67380071836344 0.64194610800679 0.32030596546986 15.999 29 O 0.73752443235132 0.11483101177661 0.56903513105930 15.999 30 O 0.74519845526028 0.58767991969193 0.99565199590953 15.999 31 O 0.75480154473972 0.41232008030807 0.49565199590953 15.999 32 O 0.76247556764868 0.88516898822339 0.06903513105930 15.999 33 O 0.82619928163656 0.35805389199321 0.82030596546986 15.999 34 O 0.80998882247219 0.35633309066653 0.23488667063726 15.999 35 O 0.82938218874685 0.05092733386840 0.30424862663727 15.999 36 O 0.91182110324675 0.15735177180234 0.02774472848738 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.184505070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.933216849999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.790082300000000 Atomic positions (fractional): *1 Tm 0.01892402779771 0.39685768288359 0.03576231514379 168.934 > 1 *2 Tm 0.04139980153111 0.28235247017960 0.63256978876073 168.934 > 2 3 Tm 0.45860019846889 0.71764752982041 0.13256978876073 168.934 > 3 4 Tm 0.48107597220229 0.60314231711641 0.53576231514379 168.934 > 4 5 Tm 0.51892402779771 0.10314231711641 0.96423768485621 168.934 > 5 6 Tm 0.54139980153111 0.21764752982041 0.36743021123927 168.934 > 6 7 Tm 0.95860019846889 0.78235247017959 0.86743021123927 168.934 > 7 8 Tm 0.98107597220229 0.89685768288359 0.46423768485622 168.934 > 8 *9 Te 0.03870595072646 0.00550656534944 0.15007073320792 127.600 > 9 10 Te 0.46129404927355 0.99449343465056 0.65007073320792 127.600 > 10 11 Te 0.53870595072646 0.49449343465056 0.84992926679208 127.600 > 11 12 Te 0.96129404927354 0.50550656534944 0.34992926679208 127.600 > 12 *13 O 0.08817889675326 0.65735177180233 0.47225527151262 15.999 > 13 *14 O 0.17061781125315 0.55092733386840 0.19575137336273 15.999 > 14 *15 O 0.19001117752781 0.85633309066653 0.26511332936274 15.999 > 15 *16 O 0.17380071836344 0.85805389199321 0.67969403453014 15.999 > 16 *17 O 0.23752443235132 0.38516898822339 0.43096486894070 15.999 > 17 *18 O 0.24519845526028 0.91232008030807 0.00434800409047 15.999 > 18 19 O 0.25480154473972 0.08767991969193 0.50434800409047 15.999 > 19 20 O 0.26247556764868 0.61483101177661 0.93096486894070 15.999 > 20 21 O 0.32619928163656 0.14194610800679 0.17969403453014 15.999 > 21 22 O 0.30998882247219 0.14366690933347 0.76511332936274 15.999 > 22 23 O 0.32938218874685 0.44907266613160 0.69575137336273 15.999 > 23 24 O 0.41182110324674 0.34264822819766 0.97225527151262 15.999 > 24 25 O 0.58817889675325 0.84264822819767 0.52774472848738 15.999 > 25 26 O 0.67061781125315 0.94907266613160 0.80424862663727 15.999 > 26 27 O 0.69001117752781 0.64366690933347 0.73488667063726 15.999 > 27 28 O 0.67380071836344 0.64194610800679 0.32030596546986 15.999 > 28 29 O 0.73752443235132 0.11483101177661 0.56903513105930 15.999 > 29 30 O 0.74519845526028 0.58767991969193 0.99565199590953 15.999 > 30 31 O 0.75480154473972 0.41232008030807 0.49565199590953 15.999 > 31 32 O 0.76247556764868 0.88516898822339 0.06903513105930 15.999 > 32 33 O 0.82619928163656 0.35805389199321 0.82030596546986 15.999 > 33 34 O 0.80998882247219 0.35633309066653 0.23488667063726 15.999 > 34 35 O 0.82938218874685 0.05092733386840 0.30424862663727 15.999 > 35 36 O 0.91182110324675 0.15735177180234 0.02774472848738 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.369010140000002 0.000000000000000 0.000000000000000 b 0.000000000000000 17.866433699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.790082300000000 Atomic positions (fractional): *1 Tm 0.00946201389885 0.19842884144180 0.03576231514379 168.934 > 1 2 Tm 0.50946201389886 0.19842884144180 0.03576231514379 168.934 > 1 3 Tm 0.00946201389885 0.69842884144180 0.03576231514379 168.934 > 1 4 Tm 0.50946201389886 0.69842884144180 0.03576231514379 168.934 > 1 *5 Tm 0.02069990076556 0.14117623508980 0.63256978876073 168.934 > 2 6 Tm 0.52069990076556 0.14117623508980 0.63256978876073 168.934 > 2 7 Tm 0.02069990076556 0.64117623508980 0.63256978876073 168.934 > 2 8 Tm 0.52069990076556 0.64117623508980 0.63256978876073 168.934 > 2 9 Tm 0.22930009923444 0.35882376491020 0.13256978876073 168.934 > 3 10 Tm 0.72930009923444 0.35882376491020 0.13256978876073 168.934 > 3 11 Tm 0.22930009923444 0.85882376491020 0.13256978876073 168.934 > 3 12 Tm 0.72930009923444 0.85882376491020 0.13256978876073 168.934 > 3 13 Tm 0.24053798610114 0.30157115855820 0.53576231514379 168.934 > 4 14 Tm 0.74053798610114 0.30157115855820 0.53576231514379 168.934 > 4 15 Tm 0.24053798610114 0.80157115855820 0.53576231514379 168.934 > 4 16 Tm 0.74053798610114 0.80157115855820 0.53576231514379 168.934 > 4 17 Tm 0.25946201389885 0.05157115855820 0.96423768485621 168.934 > 5 18 Tm 0.75946201389886 0.05157115855820 0.96423768485621 168.934 > 5 19 Tm 0.25946201389885 0.55157115855820 0.96423768485621 168.934 > 5 20 Tm 0.75946201389886 0.55157115855820 0.96423768485621 168.934 > 5 21 Tm 0.27069990076556 0.10882376491020 0.36743021123927 168.934 > 6 22 Tm 0.77069990076556 0.10882376491020 0.36743021123927 168.934 > 6 23 Tm 0.27069990076556 0.60882376491020 0.36743021123927 168.934 > 6 24 Tm 0.77069990076556 0.60882376491020 0.36743021123927 168.934 > 6 25 Tm 0.47930009923444 0.39117623508980 0.86743021123927 168.934 > 7 26 Tm 0.97930009923444 0.39117623508980 0.86743021123927 168.934 > 7 27 Tm 0.47930009923444 0.89117623508980 0.86743021123927 168.934 > 7 28 Tm 0.97930009923444 0.89117623508980 0.86743021123927 168.934 > 7 29 Tm 0.49053798610115 0.44842884144180 0.46423768485622 168.934 > 8 30 Tm 0.99053798610114 0.44842884144180 0.46423768485622 168.934 > 8 31 Tm 0.49053798610115 0.94842884144180 0.46423768485622 168.934 > 8 32 Tm 0.99053798610114 0.94842884144180 0.46423768485622 168.934 > 8 *33 Te 0.01935297536323 0.00275328267472 0.15007073320792 127.600 > 9 34 Te 0.51935297536323 0.00275328267472 0.15007073320792 127.600 > 9 35 Te 0.01935297536323 0.50275328267472 0.15007073320792 127.600 > 9 36 Te 0.51935297536323 0.50275328267472 0.15007073320792 127.600 > 9 37 Te 0.23064702463677 0.49724671732528 0.65007073320792 127.600 > 10 38 Te 0.73064702463677 0.49724671732528 0.65007073320792 127.600 > 10 39 Te 0.23064702463677 0.99724671732528 0.65007073320792 127.600 > 10 40 Te 0.73064702463677 0.99724671732528 0.65007073320792 127.600 > 10 41 Te 0.26935297536323 0.24724671732528 0.84992926679208 127.600 > 11 42 Te 0.76935297536323 0.24724671732528 0.84992926679208 127.600 > 11 43 Te 0.26935297536323 0.74724671732528 0.84992926679208 127.600 > 11 44 Te 0.76935297536323 0.74724671732528 0.84992926679208 127.600 > 11 45 Te 0.48064702463677 0.25275328267472 0.34992926679208 127.600 > 12 46 Te 0.98064702463677 0.25275328267472 0.34992926679208 127.600 > 12 47 Te 0.48064702463677 0.75275328267472 0.34992926679208 127.600 > 12 48 Te 0.98064702463677 0.75275328267472 0.34992926679208 127.600 > 12 *49 O 0.04408944837663 0.32867588590117 0.47225527151262 15.999 > 13 50 O 0.54408944837663 0.32867588590117 0.47225527151262 15.999 > 13 51 O 0.04408944837663 0.82867588590117 0.47225527151262 15.999 > 13 52 O 0.54408944837663 0.82867588590117 0.47225527151262 15.999 > 13 *53 O 0.08530890562658 0.27546366693420 0.19575137336273 15.999 > 14 54 O 0.58530890562658 0.27546366693420 0.19575137336273 15.999 > 14 55 O 0.08530890562658 0.77546366693420 0.19575137336273 15.999 > 14 56 O 0.58530890562658 0.77546366693420 0.19575137336273 15.999 > 14 *57 O 0.09500558876390 0.42816654533327 0.26511332936274 15.999 > 15 58 O 0.59500558876390 0.42816654533327 0.26511332936274 15.999 > 15 59 O 0.09500558876390 0.92816654533327 0.26511332936274 15.999 > 15 60 O 0.59500558876390 0.92816654533327 0.26511332936274 15.999 > 15 *61 O 0.08690035918172 0.42902694599661 0.67969403453014 15.999 > 16 62 O 0.58690035918172 0.42902694599661 0.67969403453014 15.999 > 16 63 O 0.08690035918172 0.92902694599661 0.67969403453014 15.999 > 16 64 O 0.58690035918172 0.92902694599661 0.67969403453014 15.999 > 16 *65 O 0.11876221617566 0.19258449411169 0.43096486894070 15.999 > 17 66 O 0.61876221617566 0.19258449411169 0.43096486894070 15.999 > 17 67 O 0.11876221617566 0.69258449411169 0.43096486894070 15.999 > 17 68 O 0.61876221617566 0.69258449411169 0.43096486894070 15.999 > 17 *69 O 0.12259922763014 0.45616004015403 0.00434800409047 15.999 > 18 70 O 0.62259922763014 0.45616004015403 0.00434800409047 15.999 > 18 71 O 0.12259922763014 0.95616004015403 0.00434800409047 15.999 > 18 72 O 0.62259922763014 0.95616004015403 0.00434800409047 15.999 > 18 73 O 0.12740077236986 0.04383995984596 0.50434800409047 15.999 > 19 74 O 0.62740077236986 0.04383995984596 0.50434800409047 15.999 > 19 75 O 0.12740077236986 0.54383995984597 0.50434800409047 15.999 > 19 76 O 0.62740077236986 0.54383995984597 0.50434800409047 15.999 > 19 77 O 0.13123778382434 0.30741550588831 0.93096486894070 15.999 > 20 78 O 0.63123778382434 0.30741550588831 0.93096486894070 15.999 > 20 79 O 0.13123778382434 0.80741550588831 0.93096486894070 15.999 > 20 80 O 0.63123778382434 0.80741550588831 0.93096486894070 15.999 > 20 81 O 0.16309964081828 0.07097305400339 0.17969403453014 15.999 > 21 82 O 0.66309964081828 0.07097305400339 0.17969403453014 15.999 > 21 83 O 0.16309964081828 0.57097305400339 0.17969403453014 15.999 > 21 84 O 0.66309964081828 0.57097305400339 0.17969403453014 15.999 > 21 85 O 0.15499441123610 0.07183345466674 0.76511332936274 15.999 > 22 86 O 0.65499441123610 0.07183345466674 0.76511332936274 15.999 > 22 87 O 0.15499441123610 0.57183345466673 0.76511332936274 15.999 > 22 88 O 0.65499441123610 0.57183345466673 0.76511332936274 15.999 > 22 89 O 0.16469109437342 0.22453633306580 0.69575137336273 15.999 > 23 90 O 0.66469109437342 0.22453633306580 0.69575137336273 15.999 > 23 91 O 0.16469109437342 0.72453633306580 0.69575137336273 15.999 > 23 92 O 0.66469109437342 0.72453633306580 0.69575137336273 15.999 > 23 93 O 0.20591055162337 0.17132411409883 0.97225527151262 15.999 > 24 94 O 0.70591055162337 0.17132411409883 0.97225527151262 15.999 > 24 95 O 0.20591055162337 0.67132411409883 0.97225527151262 15.999 > 24 96 O 0.70591055162337 0.67132411409883 0.97225527151262 15.999 > 24 97 O 0.29408944837663 0.42132411409883 0.52774472848738 15.999 > 25 98 O 0.79408944837663 0.42132411409883 0.52774472848738 15.999 > 25 99 O 0.29408944837663 0.92132411409883 0.52774472848738 15.999 > 25 100 O 0.79408944837663 0.92132411409883 0.52774472848738 15.999 > 25 101 O 0.33530890562658 0.47453633306580 0.80424862663727 15.999 > 26 102 O 0.83530890562658 0.47453633306580 0.80424862663727 15.999 > 26 103 O 0.33530890562658 0.97453633306580 0.80424862663727 15.999 > 26 104 O 0.83530890562658 0.97453633306580 0.80424862663727 15.999 > 26 105 O 0.34500558876390 0.32183345466673 0.73488667063726 15.999 > 27 106 O 0.84500558876390 0.32183345466673 0.73488667063726 15.999 > 27 107 O 0.34500558876390 0.82183345466673 0.73488667063726 15.999 > 27 108 O 0.84500558876390 0.82183345466673 0.73488667063726 15.999 > 27 109 O 0.33690035918172 0.32097305400339 0.32030596546986 15.999 > 28 110 O 0.83690035918172 0.32097305400339 0.32030596546986 15.999 > 28 111 O 0.33690035918172 0.82097305400339 0.32030596546986 15.999 > 28 112 O 0.83690035918172 0.82097305400339 0.32030596546986 15.999 > 28 113 O 0.36876221617566 0.05741550588831 0.56903513105930 15.999 > 29 114 O 0.86876221617566 0.05741550588831 0.56903513105930 15.999 > 29 115 O 0.36876221617566 0.55741550588831 0.56903513105930 15.999 > 29 116 O 0.86876221617566 0.55741550588831 0.56903513105930 15.999 > 29 117 O 0.37259922763014 0.29383995984597 0.99565199590953 15.999 > 30 118 O 0.87259922763014 0.29383995984597 0.99565199590953 15.999 > 30 119 O 0.37259922763014 0.79383995984597 0.99565199590953 15.999 > 30 120 O 0.87259922763014 0.79383995984597 0.99565199590953 15.999 > 30 121 O 0.37740077236986 0.20616004015403 0.49565199590953 15.999 > 31 122 O 0.87740077236986 0.20616004015403 0.49565199590953 15.999 > 31 123 O 0.37740077236986 0.70616004015403 0.49565199590953 15.999 > 31 124 O 0.87740077236986 0.70616004015403 0.49565199590953 15.999 > 31 125 O 0.38123778382434 0.44258449411169 0.06903513105930 15.999 > 32 126 O 0.88123778382434 0.44258449411169 0.06903513105930 15.999 > 32 127 O 0.38123778382434 0.94258449411169 0.06903513105930 15.999 > 32 128 O 0.88123778382434 0.94258449411169 0.06903513105930 15.999 > 32 129 O 0.41309964081828 0.17902694599661 0.82030596546986 15.999 > 33 130 O 0.91309964081828 0.17902694599661 0.82030596546986 15.999 > 33 131 O 0.41309964081828 0.67902694599661 0.82030596546986 15.999 > 33 132 O 0.91309964081828 0.67902694599661 0.82030596546986 15.999 > 33 133 O 0.40499441123610 0.17816654533327 0.23488667063726 15.999 > 34 134 O 0.90499441123610 0.17816654533327 0.23488667063726 15.999 > 34 135 O 0.40499441123610 0.67816654533327 0.23488667063726 15.999 > 34 136 O 0.90499441123610 0.67816654533327 0.23488667063726 15.999 > 34 137 O 0.41469109437342 0.02546366693420 0.30424862663727 15.999 > 35 138 O 0.91469109437342 0.02546366693420 0.30424862663727 15.999 > 35 139 O 0.41469109437342 0.52546366693420 0.30424862663727 15.999 > 35 140 O 0.91469109437342 0.52546366693420 0.30424862663727 15.999 > 35 141 O 0.45591055162337 0.07867588590117 0.02774472848738 15.999 > 36 142 O 0.95591055162337 0.07867588590117 0.02774472848738 15.999 > 36 143 O 0.45591055162337 0.57867588590117 0.02774472848738 15.999 > 36 144 O 0.95591055162337 0.57867588590117 0.02774472848738 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0682786 0.0000000 0.0000000 0.0000000 4.0468800 0.0000000 0.0000000 0.0000000 4.1074243 -------------------------- Born effective charges -------------------------- 1 Tm 3.6035270 -0.0594389 -0.0441045 0.0456737 3.7350135 0.1444903 -0.2281513 0.0249808 3.7842930 2 Tm 4.2139926 0.1095204 0.1182371 -0.0623616 4.0073408 0.1554998 0.3117583 0.2330168 3.8025649 3 Tm 4.2139926 0.1095204 -0.1182371 -0.0623616 4.0073408 -0.1554998 -0.3117583 -0.2330168 3.8025649 4 Tm 3.6035270 -0.0594389 0.0441045 0.0456737 3.7350135 -0.1444903 0.2281513 -0.0249808 3.7842930 5 Tm 3.6035270 0.0594389 0.0441045 -0.0456737 3.7350135 0.1444903 0.2281513 0.0249808 3.7842930 6 Tm 4.2139926 -0.1095204 -0.1182371 0.0623616 4.0073408 0.1554998 -0.3117583 0.2330168 3.8025649 7 Tm 4.2139926 -0.1095204 0.1182371 0.0623616 4.0073408 -0.1554998 0.3117583 -0.2330168 3.8025649 8 Tm 3.6035270 0.0594389 -0.0441045 -0.0456737 3.7350135 -0.1444903 -0.2281513 -0.0249808 3.7842930 9 Te 5.0922662 0.1179174 0.1518540 0.0596080 4.8349076 0.0426406 0.0356540 0.2243245 4.8836904 10 Te 5.0922662 0.1179174 -0.1518540 0.0596080 4.8349076 -0.0426406 -0.0356540 -0.2243245 4.8836904 11 Te 5.0922662 -0.1179174 -0.1518540 -0.0596080 4.8349076 0.0426406 -0.0356540 0.2243245 4.8836904 12 Te 5.0922662 -0.1179174 0.1518540 -0.0596080 4.8349076 -0.0426406 0.0356540 -0.2243245 4.8836904 13 O -2.2334646 0.0882904 -0.4681291 0.0689474 -2.5691840 -0.2834640 -0.5205662 -0.2081791 -1.5302171 14 O -2.0373633 -0.6781120 0.3511011 -0.7172633 -1.9258008 0.0175556 0.5084246 0.0607316 -2.4216095 15 O -1.7395367 0.5150306 0.3637740 0.6056107 -1.8977800 0.0316784 0.4021970 0.0221762 -2.2716229 16 O -2.2547119 -0.5343207 0.3618262 -0.5305238 -1.8217841 0.3862979 0.1766193 0.3387804 -2.2973223 17 O -2.4047196 0.5393589 -0.0950385 0.5361646 -2.2177423 0.0881757 -0.1099422 0.2050831 -1.9250094 18 O -2.2399897 -0.1181951 0.1132861 -0.2230297 -2.1449707 -0.2112086 0.0421056 -0.1964080 -2.0247672 19 O -2.2399897 -0.1181951 -0.1132861 -0.2230297 -2.1449707 0.2112086 -0.0421056 0.1964080 -2.0247672 20 O -2.4047196 0.5393589 0.0950385 0.5361646 -2.2177423 -0.0881757 0.1099422 -0.2050831 -1.9250094 21 O -2.2547119 -0.5343207 -0.3618262 -0.5305238 -1.8217841 -0.3862979 -0.1766193 -0.3387804 -2.2973223 22 O -1.7395367 0.5150306 -0.3637740 0.6056107 -1.8977800 -0.0316784 -0.4021970 -0.0221762 -2.2716229 23 O -2.0373633 -0.6781120 -0.3511011 -0.7172633 -1.9258008 -0.0175556 -0.5084246 -0.0607316 -2.4216095 24 O -2.2334646 0.0882904 0.4681291 0.0689474 -2.5691840 0.2834640 0.5205662 0.2081791 -1.5302171 25 O -2.2334646 -0.0882904 0.4681291 -0.0689474 -2.5691840 -0.2834640 0.5205662 -0.2081791 -1.5302171 26 O -2.0373633 0.6781120 -0.3511011 0.7172633 -1.9258008 0.0175556 -0.5084246 0.0607316 -2.4216095 27 O -1.7395367 -0.5150306 -0.3637740 -0.6056107 -1.8977800 0.0316784 -0.4021970 0.0221762 -2.2716229 28 O -2.2547119 0.5343207 -0.3618262 0.5305238 -1.8217841 0.3862979 -0.1766193 0.3387804 -2.2973223 29 O -2.4047196 -0.5393589 0.0950385 -0.5361646 -2.2177423 0.0881757 0.1099422 0.2050831 -1.9250094 30 O -2.2399897 0.1181951 -0.1132861 0.2230297 -2.1449707 -0.2112086 -0.0421056 -0.1964080 -2.0247672 31 O -2.2399897 0.1181951 0.1132861 0.2230297 -2.1449707 0.2112086 0.0421056 0.1964080 -2.0247672 32 O -2.4047196 -0.5393589 -0.0950385 -0.5361646 -2.2177423 -0.0881757 -0.1099422 -0.2050831 -1.9250094 33 O -2.2547119 0.5343207 0.3618262 0.5305238 -1.8217841 -0.3862979 0.1766193 -0.3387804 -2.2973223 34 O -1.7395367 -0.5150306 0.3637740 -0.6056107 -1.8977800 -0.0316784 0.4021970 -0.0221762 -2.2716229 35 O -2.0373633 0.6781120 0.3511011 0.7172633 -1.9258008 -0.0175556 0.5084246 -0.0607316 -2.4216095 36 O -2.2334646 -0.0882904 -0.4681291 -0.0689474 -2.5691840 0.2834640 -0.5205662 0.2081791 -1.5302171 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.921 Solver_block: 200 / 1120 - Time: 1.714 Solver_block: 300 / 1120 - Time: 1.717 Solver_block: 400 / 1120 - Time: 1.714 Solver_block: 500 / 1120 - Time: 1.717 Solver_block: 600 / 1120 - Time: 1.716 Solver_block: 700 / 1120 - Time: 1.714 Solver_block: 800 / 1120 - Time: 1.718 Solver_block: 900 / 1120 - Time: 1.713 Solver_block: 1000 / 1120 - Time: 1.715 Solver_block: 1100 / 1120 - Time: 1.718 Solver_block: 1120 / 1120 - Time: 0.551 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.132 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:46:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:46:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.184505070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.933216849999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.790082300000000 Atomic positions (fractional): 1 Tm 0.01892402779771 0.39685768288359 0.03576231514379 168.934 2 Tm 0.04139980153111 0.28235247017960 0.63256978876073 168.934 3 Tm 0.45860019846889 0.71764752982041 0.13256978876073 168.934 4 Tm 0.48107597220229 0.60314231711641 0.53576231514379 168.934 5 Tm 0.51892402779771 0.10314231711641 0.96423768485621 168.934 6 Tm 0.54139980153111 0.21764752982041 0.36743021123927 168.934 7 Tm 0.95860019846889 0.78235247017959 0.86743021123927 168.934 8 Tm 0.98107597220229 0.89685768288359 0.46423768485622 168.934 9 Te 0.03870595072646 0.00550656534944 0.15007073320792 127.600 10 Te 0.46129404927355 0.99449343465056 0.65007073320792 127.600 11 Te 0.53870595072646 0.49449343465056 0.84992926679208 127.600 12 Te 0.96129404927354 0.50550656534944 0.34992926679208 127.600 13 O 0.08817889675326 0.65735177180233 0.47225527151262 15.999 14 O 0.17061781125315 0.55092733386840 0.19575137336273 15.999 15 O 0.19001117752781 0.85633309066653 0.26511332936274 15.999 16 O 0.17380071836344 0.85805389199321 0.67969403453014 15.999 17 O 0.23752443235132 0.38516898822339 0.43096486894070 15.999 18 O 0.24519845526028 0.91232008030807 0.00434800409047 15.999 19 O 0.25480154473972 0.08767991969193 0.50434800409047 15.999 20 O 0.26247556764868 0.61483101177661 0.93096486894070 15.999 21 O 0.32619928163656 0.14194610800679 0.17969403453014 15.999 22 O 0.30998882247219 0.14366690933347 0.76511332936274 15.999 23 O 0.32938218874685 0.44907266613160 0.69575137336273 15.999 24 O 0.41182110324674 0.34264822819766 0.97225527151262 15.999 25 O 0.58817889675325 0.84264822819767 0.52774472848738 15.999 26 O 0.67061781125315 0.94907266613160 0.80424862663727 15.999 27 O 0.69001117752781 0.64366690933347 0.73488667063726 15.999 28 O 0.67380071836344 0.64194610800679 0.32030596546986 15.999 29 O 0.73752443235132 0.11483101177661 0.56903513105930 15.999 30 O 0.74519845526028 0.58767991969193 0.99565199590953 15.999 31 O 0.75480154473972 0.41232008030807 0.49565199590953 15.999 32 O 0.76247556764868 0.88516898822339 0.06903513105930 15.999 33 O 0.82619928163656 0.35805389199321 0.82030596546986 15.999 34 O 0.80998882247219 0.35633309066653 0.23488667063726 15.999 35 O 0.82938218874685 0.05092733386840 0.30424862663727 15.999 36 O 0.91182110324675 0.15735177180234 0.02774472848738 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.369010140000002 0.000000000000000 0.000000000000000 b 0.000000000000000 17.866433699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.790082300000000 Atomic positions (fractional): 1 Tm 0.00946201389885 0.19842884144180 0.03576231514379 168.934 > 1 2 Tm 0.50946201389886 0.19842884144180 0.03576231514379 168.934 > 1 3 Tm 0.00946201389885 0.69842884144180 0.03576231514379 168.934 > 1 4 Tm 0.50946201389886 0.69842884144180 0.03576231514379 168.934 > 1 5 Tm 0.02069990076556 0.14117623508980 0.63256978876073 168.934 > 5 6 Tm 0.52069990076556 0.14117623508980 0.63256978876073 168.934 > 5 7 Tm 0.02069990076556 0.64117623508980 0.63256978876073 168.934 > 5 8 Tm 0.52069990076556 0.64117623508980 0.63256978876073 168.934 > 5 9 Tm 0.22930009923444 0.35882376491020 0.13256978876073 168.934 > 9 10 Tm 0.72930009923444 0.35882376491020 0.13256978876073 168.934 > 9 11 Tm 0.22930009923444 0.85882376491020 0.13256978876073 168.934 > 9 12 Tm 0.72930009923444 0.85882376491020 0.13256978876073 168.934 > 9 13 Tm 0.24053798610114 0.30157115855820 0.53576231514379 168.934 > 13 14 Tm 0.74053798610114 0.30157115855820 0.53576231514379 168.934 > 13 15 Tm 0.24053798610114 0.80157115855820 0.53576231514379 168.934 > 13 16 Tm 0.74053798610114 0.80157115855820 0.53576231514379 168.934 > 13 17 Tm 0.25946201389885 0.05157115855820 0.96423768485621 168.934 > 17 18 Tm 0.75946201389886 0.05157115855820 0.96423768485621 168.934 > 17 19 Tm 0.25946201389885 0.55157115855820 0.96423768485621 168.934 > 17 20 Tm 0.75946201389886 0.55157115855820 0.96423768485621 168.934 > 17 21 Tm 0.27069990076556 0.10882376491020 0.36743021123927 168.934 > 21 22 Tm 0.77069990076556 0.10882376491020 0.36743021123927 168.934 > 21 23 Tm 0.27069990076556 0.60882376491020 0.36743021123927 168.934 > 21 24 Tm 0.77069990076556 0.60882376491020 0.36743021123927 168.934 > 21 25 Tm 0.47930009923444 0.39117623508980 0.86743021123927 168.934 > 25 26 Tm 0.97930009923444 0.39117623508980 0.86743021123927 168.934 > 25 27 Tm 0.47930009923444 0.89117623508980 0.86743021123927 168.934 > 25 28 Tm 0.97930009923444 0.89117623508980 0.86743021123927 168.934 > 25 29 Tm 0.49053798610115 0.44842884144180 0.46423768485622 168.934 > 29 30 Tm 0.99053798610114 0.44842884144180 0.46423768485622 168.934 > 29 31 Tm 0.49053798610115 0.94842884144180 0.46423768485622 168.934 > 29 32 Tm 0.99053798610114 0.94842884144180 0.46423768485622 168.934 > 29 33 Te 0.01935297536323 0.00275328267472 0.15007073320792 127.600 > 33 34 Te 0.51935297536323 0.00275328267472 0.15007073320792 127.600 > 33 35 Te 0.01935297536323 0.50275328267472 0.15007073320792 127.600 > 33 36 Te 0.51935297536323 0.50275328267472 0.15007073320792 127.600 > 33 37 Te 0.23064702463677 0.49724671732528 0.65007073320792 127.600 > 37 38 Te 0.73064702463677 0.49724671732528 0.65007073320792 127.600 > 37 39 Te 0.23064702463677 0.99724671732528 0.65007073320792 127.600 > 37 40 Te 0.73064702463677 0.99724671732528 0.65007073320792 127.600 > 37 41 Te 0.26935297536323 0.24724671732528 0.84992926679208 127.600 > 41 42 Te 0.76935297536323 0.24724671732528 0.84992926679208 127.600 > 41 43 Te 0.26935297536323 0.74724671732528 0.84992926679208 127.600 > 41 44 Te 0.76935297536323 0.74724671732528 0.84992926679208 127.600 > 41 45 Te 0.48064702463677 0.25275328267472 0.34992926679208 127.600 > 45 46 Te 0.98064702463677 0.25275328267472 0.34992926679208 127.600 > 45 47 Te 0.48064702463677 0.75275328267472 0.34992926679208 127.600 > 45 48 Te 0.98064702463677 0.75275328267472 0.34992926679208 127.600 > 45 49 O 0.04408944837663 0.32867588590117 0.47225527151262 15.999 > 49 50 O 0.54408944837663 0.32867588590117 0.47225527151262 15.999 > 49 51 O 0.04408944837663 0.82867588590117 0.47225527151262 15.999 > 49 52 O 0.54408944837663 0.82867588590117 0.47225527151262 15.999 > 49 53 O 0.08530890562658 0.27546366693420 0.19575137336273 15.999 > 53 54 O 0.58530890562658 0.27546366693420 0.19575137336273 15.999 > 53 55 O 0.08530890562658 0.77546366693420 0.19575137336273 15.999 > 53 56 O 0.58530890562658 0.77546366693420 0.19575137336273 15.999 > 53 57 O 0.09500558876390 0.42816654533327 0.26511332936274 15.999 > 57 58 O 0.59500558876390 0.42816654533327 0.26511332936274 15.999 > 57 59 O 0.09500558876390 0.92816654533327 0.26511332936274 15.999 > 57 60 O 0.59500558876390 0.92816654533327 0.26511332936274 15.999 > 57 61 O 0.08690035918172 0.42902694599661 0.67969403453014 15.999 > 61 62 O 0.58690035918172 0.42902694599661 0.67969403453014 15.999 > 61 63 O 0.08690035918172 0.92902694599661 0.67969403453014 15.999 > 61 64 O 0.58690035918172 0.92902694599661 0.67969403453014 15.999 > 61 65 O 0.11876221617566 0.19258449411169 0.43096486894070 15.999 > 65 66 O 0.61876221617566 0.19258449411169 0.43096486894070 15.999 > 65 67 O 0.11876221617566 0.69258449411169 0.43096486894070 15.999 > 65 68 O 0.61876221617566 0.69258449411169 0.43096486894070 15.999 > 65 69 O 0.12259922763014 0.45616004015403 0.00434800409047 15.999 > 69 70 O 0.62259922763014 0.45616004015403 0.00434800409047 15.999 > 69 71 O 0.12259922763014 0.95616004015403 0.00434800409047 15.999 > 69 72 O 0.62259922763014 0.95616004015403 0.00434800409047 15.999 > 69 73 O 0.12740077236986 0.04383995984596 0.50434800409047 15.999 > 73 74 O 0.62740077236986 0.04383995984596 0.50434800409047 15.999 > 73 75 O 0.12740077236986 0.54383995984597 0.50434800409047 15.999 > 73 76 O 0.62740077236986 0.54383995984597 0.50434800409047 15.999 > 73 77 O 0.13123778382434 0.30741550588831 0.93096486894070 15.999 > 77 78 O 0.63123778382434 0.30741550588831 0.93096486894070 15.999 > 77 79 O 0.13123778382434 0.80741550588831 0.93096486894070 15.999 > 77 80 O 0.63123778382434 0.80741550588831 0.93096486894070 15.999 > 77 81 O 0.16309964081828 0.07097305400339 0.17969403453014 15.999 > 81 82 O 0.66309964081828 0.07097305400339 0.17969403453014 15.999 > 81 83 O 0.16309964081828 0.57097305400339 0.17969403453014 15.999 > 81 84 O 0.66309964081828 0.57097305400339 0.17969403453014 15.999 > 81 85 O 0.15499441123610 0.07183345466674 0.76511332936274 15.999 > 85 86 O 0.65499441123610 0.07183345466674 0.76511332936274 15.999 > 85 87 O 0.15499441123610 0.57183345466673 0.76511332936274 15.999 > 85 88 O 0.65499441123610 0.57183345466673 0.76511332936274 15.999 > 85 89 O 0.16469109437342 0.22453633306580 0.69575137336273 15.999 > 89 90 O 0.66469109437342 0.22453633306580 0.69575137336273 15.999 > 89 91 O 0.16469109437342 0.72453633306580 0.69575137336273 15.999 > 89 92 O 0.66469109437342 0.72453633306580 0.69575137336273 15.999 > 89 93 O 0.20591055162337 0.17132411409883 0.97225527151262 15.999 > 93 94 O 0.70591055162337 0.17132411409883 0.97225527151262 15.999 > 93 95 O 0.20591055162337 0.67132411409883 0.97225527151262 15.999 > 93 96 O 0.70591055162337 0.67132411409883 0.97225527151262 15.999 > 93 97 O 0.29408944837663 0.42132411409883 0.52774472848738 15.999 > 97 98 O 0.79408944837663 0.42132411409883 0.52774472848738 15.999 > 97 99 O 0.29408944837663 0.92132411409883 0.52774472848738 15.999 > 97 100 O 0.79408944837663 0.92132411409883 0.52774472848738 15.999 > 97 101 O 0.33530890562658 0.47453633306580 0.80424862663727 15.999 > 101 102 O 0.83530890562658 0.47453633306580 0.80424862663727 15.999 > 101 103 O 0.33530890562658 0.97453633306580 0.80424862663727 15.999 > 101 104 O 0.83530890562658 0.97453633306580 0.80424862663727 15.999 > 101 105 O 0.34500558876390 0.32183345466673 0.73488667063726 15.999 > 105 106 O 0.84500558876390 0.32183345466673 0.73488667063726 15.999 > 105 107 O 0.34500558876390 0.82183345466673 0.73488667063726 15.999 > 105 108 O 0.84500558876390 0.82183345466673 0.73488667063726 15.999 > 105 109 O 0.33690035918172 0.32097305400339 0.32030596546986 15.999 > 109 110 O 0.83690035918172 0.32097305400339 0.32030596546986 15.999 > 109 111 O 0.33690035918172 0.82097305400339 0.32030596546986 15.999 > 109 112 O 0.83690035918172 0.82097305400339 0.32030596546986 15.999 > 109 113 O 0.36876221617566 0.05741550588831 0.56903513105930 15.999 > 113 114 O 0.86876221617566 0.05741550588831 0.56903513105930 15.999 > 113 115 O 0.36876221617566 0.55741550588831 0.56903513105930 15.999 > 113 116 O 0.86876221617566 0.55741550588831 0.56903513105930 15.999 > 113 117 O 0.37259922763014 0.29383995984597 0.99565199590953 15.999 > 117 118 O 0.87259922763014 0.29383995984597 0.99565199590953 15.999 > 117 119 O 0.37259922763014 0.79383995984597 0.99565199590953 15.999 > 117 120 O 0.87259922763014 0.79383995984597 0.99565199590953 15.999 > 117 121 O 0.37740077236986 0.20616004015403 0.49565199590953 15.999 > 121 122 O 0.87740077236986 0.20616004015403 0.49565199590953 15.999 > 121 123 O 0.37740077236986 0.70616004015403 0.49565199590953 15.999 > 121 124 O 0.87740077236986 0.70616004015403 0.49565199590953 15.999 > 121 125 O 0.38123778382434 0.44258449411169 0.06903513105930 15.999 > 125 126 O 0.88123778382434 0.44258449411169 0.06903513105930 15.999 > 125 127 O 0.38123778382434 0.94258449411169 0.06903513105930 15.999 > 125 128 O 0.88123778382434 0.94258449411169 0.06903513105930 15.999 > 125 129 O 0.41309964081828 0.17902694599661 0.82030596546986 15.999 > 129 130 O 0.91309964081828 0.17902694599661 0.82030596546986 15.999 > 129 131 O 0.41309964081828 0.67902694599661 0.82030596546986 15.999 > 129 132 O 0.91309964081828 0.67902694599661 0.82030596546986 15.999 > 129 133 O 0.40499441123610 0.17816654533327 0.23488667063726 15.999 > 133 134 O 0.90499441123610 0.17816654533327 0.23488667063726 15.999 > 133 135 O 0.40499441123610 0.67816654533327 0.23488667063726 15.999 > 133 136 O 0.90499441123610 0.67816654533327 0.23488667063726 15.999 > 133 137 O 0.41469109437342 0.02546366693420 0.30424862663727 15.999 > 137 138 O 0.91469109437342 0.02546366693420 0.30424862663727 15.999 > 137 139 O 0.41469109437342 0.52546366693420 0.30424862663727 15.999 > 137 140 O 0.91469109437342 0.52546366693420 0.30424862663727 15.999 > 137 141 O 0.45591055162337 0.07867588590117 0.02774472848738 15.999 > 141 142 O 0.95591055162337 0.07867588590117 0.02774472848738 15.999 > 141 143 O 0.45591055162337 0.57867588590117 0.02774472848738 15.999 > 141 144 O 0.95591055162337 0.57867588590117 0.02774472848738 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0682786 0.0000000 0.0000000 0.0000000 4.0468800 0.0000000 0.0000000 0.0000000 4.1074243 -------------------------- Born effective charges -------------------------- 1 Tm 3.6035270 -0.0594389 -0.0441045 0.0456737 3.7350135 0.1444903 -0.2281513 0.0249808 3.7842930 2 Tm 4.2139926 0.1095204 0.1182371 -0.0623616 4.0073408 0.1554998 0.3117583 0.2330168 3.8025649 3 Tm 4.2139926 0.1095204 -0.1182371 -0.0623616 4.0073408 -0.1554998 -0.3117583 -0.2330168 3.8025649 4 Tm 3.6035270 -0.0594389 0.0441045 0.0456737 3.7350135 -0.1444903 0.2281513 -0.0249808 3.7842930 5 Tm 3.6035270 0.0594389 0.0441045 -0.0456737 3.7350135 0.1444903 0.2281513 0.0249808 3.7842930 6 Tm 4.2139926 -0.1095204 -0.1182371 0.0623616 4.0073408 0.1554998 -0.3117583 0.2330168 3.8025649 7 Tm 4.2139926 -0.1095204 0.1182371 0.0623616 4.0073408 -0.1554998 0.3117583 -0.2330168 3.8025649 8 Tm 3.6035270 0.0594389 -0.0441045 -0.0456737 3.7350135 -0.1444903 -0.2281513 -0.0249808 3.7842930 9 Te 5.0922662 0.1179174 0.1518540 0.0596080 4.8349076 0.0426406 0.0356540 0.2243245 4.8836904 10 Te 5.0922662 0.1179174 -0.1518540 0.0596080 4.8349076 -0.0426406 -0.0356540 -0.2243245 4.8836904 11 Te 5.0922662 -0.1179174 -0.1518540 -0.0596080 4.8349076 0.0426406 -0.0356540 0.2243245 4.8836904 12 Te 5.0922662 -0.1179174 0.1518540 -0.0596080 4.8349076 -0.0426406 0.0356540 -0.2243245 4.8836904 13 O -2.2334646 0.0882904 -0.4681291 0.0689474 -2.5691840 -0.2834640 -0.5205662 -0.2081791 -1.5302171 14 O -2.0373633 -0.6781120 0.3511011 -0.7172633 -1.9258008 0.0175556 0.5084246 0.0607316 -2.4216095 15 O -1.7395367 0.5150306 0.3637740 0.6056107 -1.8977800 0.0316784 0.4021970 0.0221762 -2.2716229 16 O -2.2547119 -0.5343207 0.3618262 -0.5305238 -1.8217841 0.3862979 0.1766193 0.3387804 -2.2973223 17 O -2.4047196 0.5393589 -0.0950385 0.5361646 -2.2177423 0.0881757 -0.1099422 0.2050831 -1.9250094 18 O -2.2399897 -0.1181951 0.1132861 -0.2230297 -2.1449707 -0.2112086 0.0421056 -0.1964080 -2.0247672 19 O -2.2399897 -0.1181951 -0.1132861 -0.2230297 -2.1449707 0.2112086 -0.0421056 0.1964080 -2.0247672 20 O -2.4047196 0.5393589 0.0950385 0.5361646 -2.2177423 -0.0881757 0.1099422 -0.2050831 -1.9250094 21 O -2.2547119 -0.5343207 -0.3618262 -0.5305238 -1.8217841 -0.3862979 -0.1766193 -0.3387804 -2.2973223 22 O -1.7395367 0.5150306 -0.3637740 0.6056107 -1.8977800 -0.0316784 -0.4021970 -0.0221762 -2.2716229 23 O -2.0373633 -0.6781120 -0.3511011 -0.7172633 -1.9258008 -0.0175556 -0.5084246 -0.0607316 -2.4216095 24 O -2.2334646 0.0882904 0.4681291 0.0689474 -2.5691840 0.2834640 0.5205662 0.2081791 -1.5302171 25 O -2.2334646 -0.0882904 0.4681291 -0.0689474 -2.5691840 -0.2834640 0.5205662 -0.2081791 -1.5302171 26 O -2.0373633 0.6781120 -0.3511011 0.7172633 -1.9258008 0.0175556 -0.5084246 0.0607316 -2.4216095 27 O -1.7395367 -0.5150306 -0.3637740 -0.6056107 -1.8977800 0.0316784 -0.4021970 0.0221762 -2.2716229 28 O -2.2547119 0.5343207 -0.3618262 0.5305238 -1.8217841 0.3862979 -0.1766193 0.3387804 -2.2973223 29 O -2.4047196 -0.5393589 0.0950385 -0.5361646 -2.2177423 0.0881757 0.1099422 0.2050831 -1.9250094 30 O -2.2399897 0.1181951 -0.1132861 0.2230297 -2.1449707 -0.2112086 -0.0421056 -0.1964080 -2.0247672 31 O -2.2399897 0.1181951 0.1132861 0.2230297 -2.1449707 0.2112086 0.0421056 0.1964080 -2.0247672 32 O -2.4047196 -0.5393589 -0.0950385 -0.5361646 -2.2177423 -0.0881757 -0.1099422 -0.2050831 -1.9250094 33 O -2.2547119 0.5343207 0.3618262 0.5305238 -1.8217841 -0.3862979 0.1766193 -0.3387804 -2.2973223 34 O -1.7395367 -0.5150306 0.3637740 -0.6056107 -1.8977800 -0.0316784 0.4021970 -0.0221762 -2.2716229 35 O -2.0373633 0.6781120 0.3511011 0.7172633 -1.9258008 -0.0175556 0.5084246 -0.0607316 -2.4216095 36 O -2.2334646 -0.0882904 -0.4681291 -0.0689474 -2.5691840 0.2834640 -0.5205662 0.2081791 -1.5302171 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) 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 03:47:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:47:45]------------------------- 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_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.184505070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.933216849999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.790082300000000 Atomic positions (fractional): 1 Tm 0.01892402779771 0.39685768288359 0.03576231514379 168.934 2 Tm 0.04139980153111 0.28235247017960 0.63256978876073 168.934 3 Tm 0.45860019846889 0.71764752982041 0.13256978876073 168.934 4 Tm 0.48107597220229 0.60314231711641 0.53576231514379 168.934 5 Tm 0.51892402779771 0.10314231711641 0.96423768485621 168.934 6 Tm 0.54139980153111 0.21764752982041 0.36743021123927 168.934 7 Tm 0.95860019846889 0.78235247017959 0.86743021123927 168.934 8 Tm 0.98107597220229 0.89685768288359 0.46423768485622 168.934 9 Te 0.03870595072646 0.00550656534944 0.15007073320792 127.600 10 Te 0.46129404927355 0.99449343465056 0.65007073320792 127.600 11 Te 0.53870595072646 0.49449343465056 0.84992926679208 127.600 12 Te 0.96129404927354 0.50550656534944 0.34992926679208 127.600 13 O 0.08817889675326 0.65735177180233 0.47225527151262 15.999 14 O 0.17061781125315 0.55092733386840 0.19575137336273 15.999 15 O 0.19001117752781 0.85633309066653 0.26511332936274 15.999 16 O 0.17380071836344 0.85805389199321 0.67969403453014 15.999 17 O 0.23752443235132 0.38516898822339 0.43096486894070 15.999 18 O 0.24519845526028 0.91232008030807 0.00434800409047 15.999 19 O 0.25480154473972 0.08767991969193 0.50434800409047 15.999 20 O 0.26247556764868 0.61483101177661 0.93096486894070 15.999 21 O 0.32619928163656 0.14194610800679 0.17969403453014 15.999 22 O 0.30998882247219 0.14366690933347 0.76511332936274 15.999 23 O 0.32938218874685 0.44907266613160 0.69575137336273 15.999 24 O 0.41182110324674 0.34264822819766 0.97225527151262 15.999 25 O 0.58817889675325 0.84264822819767 0.52774472848738 15.999 26 O 0.67061781125315 0.94907266613160 0.80424862663727 15.999 27 O 0.69001117752781 0.64366690933347 0.73488667063726 15.999 28 O 0.67380071836344 0.64194610800679 0.32030596546986 15.999 29 O 0.73752443235132 0.11483101177661 0.56903513105930 15.999 30 O 0.74519845526028 0.58767991969193 0.99565199590953 15.999 31 O 0.75480154473972 0.41232008030807 0.49565199590953 15.999 32 O 0.76247556764868 0.88516898822339 0.06903513105930 15.999 33 O 0.82619928163656 0.35805389199321 0.82030596546986 15.999 34 O 0.80998882247219 0.35633309066653 0.23488667063726 15.999 35 O 0.82938218874685 0.05092733386840 0.30424862663727 15.999 36 O 0.91182110324675 0.15735177180234 0.02774472848738 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.369010140000002 0.000000000000000 0.000000000000000 b 0.000000000000000 17.866433699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.790082300000000 Atomic positions (fractional): 1 Tm 0.00946201389885 0.19842884144180 0.03576231514379 168.934 > 1 2 Tm 0.50946201389886 0.19842884144180 0.03576231514379 168.934 > 1 3 Tm 0.00946201389885 0.69842884144180 0.03576231514379 168.934 > 1 4 Tm 0.50946201389886 0.69842884144180 0.03576231514379 168.934 > 1 5 Tm 0.02069990076556 0.14117623508980 0.63256978876073 168.934 > 5 6 Tm 0.52069990076556 0.14117623508980 0.63256978876073 168.934 > 5 7 Tm 0.02069990076556 0.64117623508980 0.63256978876073 168.934 > 5 8 Tm 0.52069990076556 0.64117623508980 0.63256978876073 168.934 > 5 9 Tm 0.22930009923444 0.35882376491020 0.13256978876073 168.934 > 9 10 Tm 0.72930009923444 0.35882376491020 0.13256978876073 168.934 > 9 11 Tm 0.22930009923444 0.85882376491020 0.13256978876073 168.934 > 9 12 Tm 0.72930009923444 0.85882376491020 0.13256978876073 168.934 > 9 13 Tm 0.24053798610114 0.30157115855820 0.53576231514379 168.934 > 13 14 Tm 0.74053798610114 0.30157115855820 0.53576231514379 168.934 > 13 15 Tm 0.24053798610114 0.80157115855820 0.53576231514379 168.934 > 13 16 Tm 0.74053798610114 0.80157115855820 0.53576231514379 168.934 > 13 17 Tm 0.25946201389885 0.05157115855820 0.96423768485621 168.934 > 17 18 Tm 0.75946201389886 0.05157115855820 0.96423768485621 168.934 > 17 19 Tm 0.25946201389885 0.55157115855820 0.96423768485621 168.934 > 17 20 Tm 0.75946201389886 0.55157115855820 0.96423768485621 168.934 > 17 21 Tm 0.27069990076556 0.10882376491020 0.36743021123927 168.934 > 21 22 Tm 0.77069990076556 0.10882376491020 0.36743021123927 168.934 > 21 23 Tm 0.27069990076556 0.60882376491020 0.36743021123927 168.934 > 21 24 Tm 0.77069990076556 0.60882376491020 0.36743021123927 168.934 > 21 25 Tm 0.47930009923444 0.39117623508980 0.86743021123927 168.934 > 25 26 Tm 0.97930009923444 0.39117623508980 0.86743021123927 168.934 > 25 27 Tm 0.47930009923444 0.89117623508980 0.86743021123927 168.934 > 25 28 Tm 0.97930009923444 0.89117623508980 0.86743021123927 168.934 > 25 29 Tm 0.49053798610115 0.44842884144180 0.46423768485622 168.934 > 29 30 Tm 0.99053798610114 0.44842884144180 0.46423768485622 168.934 > 29 31 Tm 0.49053798610115 0.94842884144180 0.46423768485622 168.934 > 29 32 Tm 0.99053798610114 0.94842884144180 0.46423768485622 168.934 > 29 33 Te 0.01935297536323 0.00275328267472 0.15007073320792 127.600 > 33 34 Te 0.51935297536323 0.00275328267472 0.15007073320792 127.600 > 33 35 Te 0.01935297536323 0.50275328267472 0.15007073320792 127.600 > 33 36 Te 0.51935297536323 0.50275328267472 0.15007073320792 127.600 > 33 37 Te 0.23064702463677 0.49724671732528 0.65007073320792 127.600 > 37 38 Te 0.73064702463677 0.49724671732528 0.65007073320792 127.600 > 37 39 Te 0.23064702463677 0.99724671732528 0.65007073320792 127.600 > 37 40 Te 0.73064702463677 0.99724671732528 0.65007073320792 127.600 > 37 41 Te 0.26935297536323 0.24724671732528 0.84992926679208 127.600 > 41 42 Te 0.76935297536323 0.24724671732528 0.84992926679208 127.600 > 41 43 Te 0.26935297536323 0.74724671732528 0.84992926679208 127.600 > 41 44 Te 0.76935297536323 0.74724671732528 0.84992926679208 127.600 > 41 45 Te 0.48064702463677 0.25275328267472 0.34992926679208 127.600 > 45 46 Te 0.98064702463677 0.25275328267472 0.34992926679208 127.600 > 45 47 Te 0.48064702463677 0.75275328267472 0.34992926679208 127.600 > 45 48 Te 0.98064702463677 0.75275328267472 0.34992926679208 127.600 > 45 49 O 0.04408944837663 0.32867588590117 0.47225527151262 15.999 > 49 50 O 0.54408944837663 0.32867588590117 0.47225527151262 15.999 > 49 51 O 0.04408944837663 0.82867588590117 0.47225527151262 15.999 > 49 52 O 0.54408944837663 0.82867588590117 0.47225527151262 15.999 > 49 53 O 0.08530890562658 0.27546366693420 0.19575137336273 15.999 > 53 54 O 0.58530890562658 0.27546366693420 0.19575137336273 15.999 > 53 55 O 0.08530890562658 0.77546366693420 0.19575137336273 15.999 > 53 56 O 0.58530890562658 0.77546366693420 0.19575137336273 15.999 > 53 57 O 0.09500558876390 0.42816654533327 0.26511332936274 15.999 > 57 58 O 0.59500558876390 0.42816654533327 0.26511332936274 15.999 > 57 59 O 0.09500558876390 0.92816654533327 0.26511332936274 15.999 > 57 60 O 0.59500558876390 0.92816654533327 0.26511332936274 15.999 > 57 61 O 0.08690035918172 0.42902694599661 0.67969403453014 15.999 > 61 62 O 0.58690035918172 0.42902694599661 0.67969403453014 15.999 > 61 63 O 0.08690035918172 0.92902694599661 0.67969403453014 15.999 > 61 64 O 0.58690035918172 0.92902694599661 0.67969403453014 15.999 > 61 65 O 0.11876221617566 0.19258449411169 0.43096486894070 15.999 > 65 66 O 0.61876221617566 0.19258449411169 0.43096486894070 15.999 > 65 67 O 0.11876221617566 0.69258449411169 0.43096486894070 15.999 > 65 68 O 0.61876221617566 0.69258449411169 0.43096486894070 15.999 > 65 69 O 0.12259922763014 0.45616004015403 0.00434800409047 15.999 > 69 70 O 0.62259922763014 0.45616004015403 0.00434800409047 15.999 > 69 71 O 0.12259922763014 0.95616004015403 0.00434800409047 15.999 > 69 72 O 0.62259922763014 0.95616004015403 0.00434800409047 15.999 > 69 73 O 0.12740077236986 0.04383995984596 0.50434800409047 15.999 > 73 74 O 0.62740077236986 0.04383995984596 0.50434800409047 15.999 > 73 75 O 0.12740077236986 0.54383995984597 0.50434800409047 15.999 > 73 76 O 0.62740077236986 0.54383995984597 0.50434800409047 15.999 > 73 77 O 0.13123778382434 0.30741550588831 0.93096486894070 15.999 > 77 78 O 0.63123778382434 0.30741550588831 0.93096486894070 15.999 > 77 79 O 0.13123778382434 0.80741550588831 0.93096486894070 15.999 > 77 80 O 0.63123778382434 0.80741550588831 0.93096486894070 15.999 > 77 81 O 0.16309964081828 0.07097305400339 0.17969403453014 15.999 > 81 82 O 0.66309964081828 0.07097305400339 0.17969403453014 15.999 > 81 83 O 0.16309964081828 0.57097305400339 0.17969403453014 15.999 > 81 84 O 0.66309964081828 0.57097305400339 0.17969403453014 15.999 > 81 85 O 0.15499441123610 0.07183345466674 0.76511332936274 15.999 > 85 86 O 0.65499441123610 0.07183345466674 0.76511332936274 15.999 > 85 87 O 0.15499441123610 0.57183345466673 0.76511332936274 15.999 > 85 88 O 0.65499441123610 0.57183345466673 0.76511332936274 15.999 > 85 89 O 0.16469109437342 0.22453633306580 0.69575137336273 15.999 > 89 90 O 0.66469109437342 0.22453633306580 0.69575137336273 15.999 > 89 91 O 0.16469109437342 0.72453633306580 0.69575137336273 15.999 > 89 92 O 0.66469109437342 0.72453633306580 0.69575137336273 15.999 > 89 93 O 0.20591055162337 0.17132411409883 0.97225527151262 15.999 > 93 94 O 0.70591055162337 0.17132411409883 0.97225527151262 15.999 > 93 95 O 0.20591055162337 0.67132411409883 0.97225527151262 15.999 > 93 96 O 0.70591055162337 0.67132411409883 0.97225527151262 15.999 > 93 97 O 0.29408944837663 0.42132411409883 0.52774472848738 15.999 > 97 98 O 0.79408944837663 0.42132411409883 0.52774472848738 15.999 > 97 99 O 0.29408944837663 0.92132411409883 0.52774472848738 15.999 > 97 100 O 0.79408944837663 0.92132411409883 0.52774472848738 15.999 > 97 101 O 0.33530890562658 0.47453633306580 0.80424862663727 15.999 > 101 102 O 0.83530890562658 0.47453633306580 0.80424862663727 15.999 > 101 103 O 0.33530890562658 0.97453633306580 0.80424862663727 15.999 > 101 104 O 0.83530890562658 0.97453633306580 0.80424862663727 15.999 > 101 105 O 0.34500558876390 0.32183345466673 0.73488667063726 15.999 > 105 106 O 0.84500558876390 0.32183345466673 0.73488667063726 15.999 > 105 107 O 0.34500558876390 0.82183345466673 0.73488667063726 15.999 > 105 108 O 0.84500558876390 0.82183345466673 0.73488667063726 15.999 > 105 109 O 0.33690035918172 0.32097305400339 0.32030596546986 15.999 > 109 110 O 0.83690035918172 0.32097305400339 0.32030596546986 15.999 > 109 111 O 0.33690035918172 0.82097305400339 0.32030596546986 15.999 > 109 112 O 0.83690035918172 0.82097305400339 0.32030596546986 15.999 > 109 113 O 0.36876221617566 0.05741550588831 0.56903513105930 15.999 > 113 114 O 0.86876221617566 0.05741550588831 0.56903513105930 15.999 > 113 115 O 0.36876221617566 0.55741550588831 0.56903513105930 15.999 > 113 116 O 0.86876221617566 0.55741550588831 0.56903513105930 15.999 > 113 117 O 0.37259922763014 0.29383995984597 0.99565199590953 15.999 > 117 118 O 0.87259922763014 0.29383995984597 0.99565199590953 15.999 > 117 119 O 0.37259922763014 0.79383995984597 0.99565199590953 15.999 > 117 120 O 0.87259922763014 0.79383995984597 0.99565199590953 15.999 > 117 121 O 0.37740077236986 0.20616004015403 0.49565199590953 15.999 > 121 122 O 0.87740077236986 0.20616004015403 0.49565199590953 15.999 > 121 123 O 0.37740077236986 0.70616004015403 0.49565199590953 15.999 > 121 124 O 0.87740077236986 0.70616004015403 0.49565199590953 15.999 > 121 125 O 0.38123778382434 0.44258449411169 0.06903513105930 15.999 > 125 126 O 0.88123778382434 0.44258449411169 0.06903513105930 15.999 > 125 127 O 0.38123778382434 0.94258449411169 0.06903513105930 15.999 > 125 128 O 0.88123778382434 0.94258449411169 0.06903513105930 15.999 > 125 129 O 0.41309964081828 0.17902694599661 0.82030596546986 15.999 > 129 130 O 0.91309964081828 0.17902694599661 0.82030596546986 15.999 > 129 131 O 0.41309964081828 0.67902694599661 0.82030596546986 15.999 > 129 132 O 0.91309964081828 0.67902694599661 0.82030596546986 15.999 > 129 133 O 0.40499441123610 0.17816654533327 0.23488667063726 15.999 > 133 134 O 0.90499441123610 0.17816654533327 0.23488667063726 15.999 > 133 135 O 0.40499441123610 0.67816654533327 0.23488667063726 15.999 > 133 136 O 0.90499441123610 0.67816654533327 0.23488667063726 15.999 > 133 137 O 0.41469109437342 0.02546366693420 0.30424862663727 15.999 > 137 138 O 0.91469109437342 0.02546366693420 0.30424862663727 15.999 > 137 139 O 0.41469109437342 0.52546366693420 0.30424862663727 15.999 > 137 140 O 0.91469109437342 0.52546366693420 0.30424862663727 15.999 > 137 141 O 0.45591055162337 0.07867588590117 0.02774472848738 15.999 > 141 142 O 0.95591055162337 0.07867588590117 0.02774472848738 15.999 > 141 143 O 0.45591055162337 0.57867588590117 0.02774472848738 15.999 > 141 144 O 0.95591055162337 0.57867588590117 0.02774472848738 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0682786 0.0000000 0.0000000 0.0000000 4.0468800 0.0000000 0.0000000 0.0000000 4.1074243 -------------------------- Born effective charges -------------------------- 1 Tm 3.6035270 -0.0594389 -0.0441045 0.0456737 3.7350135 0.1444903 -0.2281513 0.0249808 3.7842930 2 Tm 4.2139926 0.1095204 0.1182371 -0.0623616 4.0073408 0.1554998 0.3117583 0.2330168 3.8025649 3 Tm 4.2139926 0.1095204 -0.1182371 -0.0623616 4.0073408 -0.1554998 -0.3117583 -0.2330168 3.8025649 4 Tm 3.6035270 -0.0594389 0.0441045 0.0456737 3.7350135 -0.1444903 0.2281513 -0.0249808 3.7842930 5 Tm 3.6035270 0.0594389 0.0441045 -0.0456737 3.7350135 0.1444903 0.2281513 0.0249808 3.7842930 6 Tm 4.2139926 -0.1095204 -0.1182371 0.0623616 4.0073408 0.1554998 -0.3117583 0.2330168 3.8025649 7 Tm 4.2139926 -0.1095204 0.1182371 0.0623616 4.0073408 -0.1554998 0.3117583 -0.2330168 3.8025649 8 Tm 3.6035270 0.0594389 -0.0441045 -0.0456737 3.7350135 -0.1444903 -0.2281513 -0.0249808 3.7842930 9 Te 5.0922662 0.1179174 0.1518540 0.0596080 4.8349076 0.0426406 0.0356540 0.2243245 4.8836904 10 Te 5.0922662 0.1179174 -0.1518540 0.0596080 4.8349076 -0.0426406 -0.0356540 -0.2243245 4.8836904 11 Te 5.0922662 -0.1179174 -0.1518540 -0.0596080 4.8349076 0.0426406 -0.0356540 0.2243245 4.8836904 12 Te 5.0922662 -0.1179174 0.1518540 -0.0596080 4.8349076 -0.0426406 0.0356540 -0.2243245 4.8836904 13 O -2.2334646 0.0882904 -0.4681291 0.0689474 -2.5691840 -0.2834640 -0.5205662 -0.2081791 -1.5302171 14 O -2.0373633 -0.6781120 0.3511011 -0.7172633 -1.9258008 0.0175556 0.5084246 0.0607316 -2.4216095 15 O -1.7395367 0.5150306 0.3637740 0.6056107 -1.8977800 0.0316784 0.4021970 0.0221762 -2.2716229 16 O -2.2547119 -0.5343207 0.3618262 -0.5305238 -1.8217841 0.3862979 0.1766193 0.3387804 -2.2973223 17 O -2.4047196 0.5393589 -0.0950385 0.5361646 -2.2177423 0.0881757 -0.1099422 0.2050831 -1.9250094 18 O -2.2399897 -0.1181951 0.1132861 -0.2230297 -2.1449707 -0.2112086 0.0421056 -0.1964080 -2.0247672 19 O -2.2399897 -0.1181951 -0.1132861 -0.2230297 -2.1449707 0.2112086 -0.0421056 0.1964080 -2.0247672 20 O -2.4047196 0.5393589 0.0950385 0.5361646 -2.2177423 -0.0881757 0.1099422 -0.2050831 -1.9250094 21 O -2.2547119 -0.5343207 -0.3618262 -0.5305238 -1.8217841 -0.3862979 -0.1766193 -0.3387804 -2.2973223 22 O -1.7395367 0.5150306 -0.3637740 0.6056107 -1.8977800 -0.0316784 -0.4021970 -0.0221762 -2.2716229 23 O -2.0373633 -0.6781120 -0.3511011 -0.7172633 -1.9258008 -0.0175556 -0.5084246 -0.0607316 -2.4216095 24 O -2.2334646 0.0882904 0.4681291 0.0689474 -2.5691840 0.2834640 0.5205662 0.2081791 -1.5302171 25 O -2.2334646 -0.0882904 0.4681291 -0.0689474 -2.5691840 -0.2834640 0.5205662 -0.2081791 -1.5302171 26 O -2.0373633 0.6781120 -0.3511011 0.7172633 -1.9258008 0.0175556 -0.5084246 0.0607316 -2.4216095 27 O -1.7395367 -0.5150306 -0.3637740 -0.6056107 -1.8977800 0.0316784 -0.4021970 0.0221762 -2.2716229 28 O -2.2547119 0.5343207 -0.3618262 0.5305238 -1.8217841 0.3862979 -0.1766193 0.3387804 -2.2973223 29 O -2.4047196 -0.5393589 0.0950385 -0.5361646 -2.2177423 0.0881757 0.1099422 0.2050831 -1.9250094 30 O -2.2399897 0.1181951 -0.1132861 0.2230297 -2.1449707 -0.2112086 -0.0421056 -0.1964080 -2.0247672 31 O -2.2399897 0.1181951 0.1132861 0.2230297 -2.1449707 0.2112086 0.0421056 0.1964080 -2.0247672 32 O -2.4047196 -0.5393589 -0.0950385 -0.5361646 -2.2177423 -0.0881757 -0.1099422 -0.2050831 -1.9250094 33 O -2.2547119 0.5343207 0.3618262 0.5305238 -1.8217841 -0.3862979 0.1766193 -0.3387804 -2.2973223 34 O -1.7395367 -0.5150306 0.3637740 -0.6056107 -1.8977800 -0.0316784 0.4021970 -0.0221762 -2.2716229 35 O -2.0373633 0.6781120 0.3511011 0.7172633 -1.9258008 -0.0175556 0.5084246 -0.0607316 -2.4216095 36 O -2.2334646 -0.0882904 -0.4681291 -0.0689474 -2.5691840 0.2834640 -0.5205662 0.2081791 -1.5302171 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 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 2.215 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.715 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 10.155 ( 0.000 0.000 0.000) 0.000 10.223 ( 0.000 0.000 0.000) 0.000 10.228 ( 0.000 0.000 0.000) 0.000 10.355 ( 0.000 0.000 0.000) 0.000 10.613 ( 0.000 0.000 0.000) 0.000 10.849 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.401 ( 0.000 0.000 0.000) 0.000 12.817 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 12.964 ( 0.000 0.000 0.000) 0.000 13.600 ( 0.000 0.000 0.000) 0.000 13.713 ( 0.000 0.000 0.000) 0.000 14.087 ( 0.000 0.000 0.000) 0.000 14.154 ( 0.000 0.000 0.000) 0.000 14.554 ( 0.000 0.000 0.000) 0.000 14.740 ( 0.000 0.000 0.000) 0.000 15.107 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.367 ( 0.000 0.000 0.000) 0.000 15.425 ( 0.000 0.000 0.000) 0.000 15.898 ( 0.000 0.000 0.000) 0.000 16.187 ( 0.000 0.000 0.000) 0.000 16.476 ( 0.000 0.000 0.000) 0.000 16.880 ( 0.000 0.000 0.000) 0.000 16.977 ( 0.000 0.000 0.000) 0.000 17.167 ( 0.000 0.000 0.000) 0.000 17.325 ( 0.000 0.000 0.000) 0.000 17.743 ( 0.000 0.000 0.000) 0.000 17.939 ( 0.000 0.000 0.000) 0.000 18.023 ( 0.000 0.000 0.000) 0.000 18.553 ( 0.000 0.000 0.000) 0.000 18.560 ( 0.000 0.000 0.000) 0.000 18.710 ( 0.000 0.000 0.000) 0.000 19.111 ( 0.000 0.000 0.000) 0.000 19.245 ( 0.000 0.000 0.000) 0.000 19.285 ( 0.000 0.000 0.000) 0.000 19.326 ( 0.000 0.000 0.000) 0.000 19.671 ( 0.000 0.000 0.000) 0.000 19.715 ( 0.000 0.000 0.000) 0.000 20.165 ( 0.000 0.000 0.000) 0.000 20.536 ( 0.000 0.000 0.000) 0.000 20.573 ( 0.000 0.000 0.000) 0.000 20.890 ( 0.000 0.000 0.000) 0.000 21.123 ( 0.000 0.000 0.000) 0.000 21.414 ( 0.000 0.000 0.000) 0.000 21.705 ( 0.000 0.000 0.000) 0.000 21.987 ( 0.000 0.000 0.000) 0.000 22.094 ( 0.000 0.000 0.000) 0.000 22.712 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 29.764 0.000 0.000) 29.764 0.600 ( 29.312 0.000 0.000) 29.312 1.075 ( 54.427 0.000 0.000) 54.427 2.280 ( 0.603 0.000 0.000) 0.603 2.293 ( 7.494 0.000 0.000) 7.494 2.458 ( -2.016 0.000 0.000) 2.016 2.642 ( 6.035 0.000 0.000) 6.035 2.772 ( 3.145 0.000 0.000) 3.145 2.890 ( 2.239 0.000 0.000) 2.239 2.921 ( 3.840 0.000 0.000) 3.840 3.026 ( -3.552 0.000 0.000) 3.552 3.169 ( 0.301 0.000 0.000) 0.301 3.210 ( 1.437 0.000 0.000) 1.437 3.269 ( -3.453 0.000 0.000) 3.453 3.399 ( -0.042 0.000 0.000) 0.042 3.507 ( -2.233 0.000 0.000) 2.233 3.522 ( -0.945 0.000 0.000) 0.945 3.720 ( -4.881 0.000 0.000) 4.881 4.044 ( -1.476 0.000 0.000) 1.476 4.086 ( -3.914 0.000 0.000) 3.914 4.136 ( -5.354 0.000 0.000) 5.354 4.485 ( -6.105 0.000 0.000) 6.105 4.623 ( -2.097 0.000 0.000) 2.097 4.683 ( 1.056 0.000 0.000) 1.056 4.922 ( 4.786 0.000 0.000) 4.786 4.924 ( -3.153 0.000 0.000) 3.153 4.972 ( -6.402 0.000 0.000) 6.402 5.180 ( 6.230 0.000 0.000) 6.230 5.261 ( 0.042 0.000 0.000) 0.042 5.332 ( 2.751 0.000 0.000) 2.751 5.405 ( -8.367 0.000 0.000) 8.367 5.652 ( 4.202 0.000 0.000) 4.202 5.750 ( 6.899 0.000 0.000) 6.899 5.985 ( 0.796 0.000 0.000) 0.796 6.030 ( 5.055 0.000 0.000) 5.055 6.129 ( 0.982 0.000 0.000) 0.982 6.171 ( -0.422 0.000 0.000) 0.422 6.365 ( 2.136 0.000 0.000) 2.136 6.441 ( 0.197 0.000 0.000) 0.197 6.794 ( -5.641 0.000 0.000) 5.641 7.344 ( 0.044 0.000 0.000) 0.044 7.549 ( 1.625 0.000 0.000) 1.625 7.803 ( -5.542 0.000 0.000) 5.542 7.931 ( 1.544 0.000 0.000) 1.544 7.947 ( -2.258 0.000 0.000) 2.258 8.085 ( -2.997 0.000 0.000) 2.997 8.223 ( 1.182 0.000 0.000) 1.182 8.493 ( 4.570 0.000 0.000) 4.570 8.754 ( -8.290 0.000 0.000) 8.290 8.826 ( -8.852 0.000 0.000) 8.852 9.179 ( 2.172 0.000 0.000) 2.172 9.283 ( 2.683 0.000 0.000) 2.683 9.560 ( 2.269 0.000 0.000) 2.269 9.676 ( -3.944 0.000 0.000) 3.944 9.782 ( -0.624 0.000 0.000) 0.624 9.819 ( -1.709 0.000 0.000) 1.709 10.146 ( -3.304 0.000 0.000) 3.304 10.196 ( 4.016 0.000 0.000) 4.016 10.324 ( 6.902 0.000 0.000) 6.902 10.644 ( 2.100 0.000 0.000) 2.100 10.748 ( 11.666 0.000 0.000) 11.666 10.913 ( 5.986 0.000 0.000) 5.986 11.597 ( 3.844 0.000 0.000) 3.844 11.813 ( 2.487 0.000 0.000) 2.487 12.150 ( 1.533 0.000 0.000) 1.533 12.410 ( 0.904 0.000 0.000) 0.904 12.806 ( -0.723 0.000 0.000) 0.723 12.845 ( -2.078 0.000 0.000) 2.078 13.007 ( 4.238 0.000 0.000) 4.238 13.686 ( -3.056 0.000 0.000) 3.056 14.013 ( -6.414 0.000 0.000) 6.414 14.210 ( 5.417 0.000 0.000) 5.417 14.370 ( -2.150 0.000 0.000) 2.150 14.575 ( 1.544 0.000 0.000) 1.544 14.729 ( -1.189 0.000 0.000) 1.189 15.064 ( -4.107 0.000 0.000) 4.107 15.299 ( -6.391 0.000 0.000) 6.391 15.426 ( 0.068 0.000 0.000) 0.068 15.745 ( -9.135 0.000 0.000) 9.135 16.159 ( 9.763 0.000 0.000) 9.763 16.453 ( 2.459 0.000 0.000) 2.459 16.701 ( -11.313 0.000 0.000) 11.313 16.837 ( -4.273 0.000 0.000) 4.273 17.139 ( 10.613 0.000 0.000) 10.613 17.337 ( 1.523 0.000 0.000) 1.523 17.666 ( 2.688 0.000 0.000) 2.688 17.733 ( -0.639 0.000 0.000) 0.639 17.925 ( -1.116 0.000 0.000) 1.116 18.039 ( -4.454 0.000 0.000) 4.454 18.577 ( 1.847 0.000 0.000) 1.847 18.655 ( 8.230 0.000 0.000) 8.230 18.740 ( 2.943 0.000 0.000) 2.943 19.114 ( 0.080 0.000 0.000) 0.080 19.304 ( 1.043 0.000 0.000) 1.043 19.319 ( -0.828 0.000 0.000) 0.828 19.673 ( -0.218 0.000 0.000) 0.218 19.701 ( -1.298 0.000 0.000) 1.298 20.162 ( 1.571 0.000 0.000) 1.571 20.504 ( -7.203 0.000 0.000) 7.203 20.572 ( 3.176 0.000 0.000) 3.176 20.793 ( -0.171 0.000 0.000) 0.171 20.912 ( 2.021 0.000 0.000) 2.021 21.254 ( -4.789 0.000 0.000) 4.789 21.698 ( -0.426 0.000 0.000) 0.426 21.778 ( -4.716 0.000 0.000) 4.716 22.032 ( 3.174 0.000 0.000) 3.174 22.113 ( 1.701 0.000 0.000) 1.701 22.843 ( -4.281 0.000 0.000) 4.281 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.20 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 27.257 0.000 0.000) 27.257 1.154 ( 28.083 0.000 0.000) 28.083 2.063 ( 45.817 0.000 0.000) 45.817 2.295 ( 1.079 0.000 0.000) 1.079 2.387 ( -4.818 0.000 0.000) 4.818 2.468 ( 9.760 0.000 0.000) 9.760 2.739 ( 2.227 0.000 0.000) 2.227 2.831 ( 3.191 0.000 0.000) 3.191 2.941 ( -4.554 0.000 0.000) 4.554 2.975 ( 5.422 0.000 0.000) 5.422 3.003 ( 3.412 0.000 0.000) 3.412 3.165 ( -1.002 0.000 0.000) 1.002 3.180 ( -3.477 0.000 0.000) 3.477 3.250 ( 0.278 0.000 0.000) 0.278 3.372 ( -2.728 0.000 0.000) 2.728 3.434 ( -5.571 0.000 0.000) 5.571 3.531 ( 2.945 0.000 0.000) 2.945 3.594 ( -7.279 0.000 0.000) 7.279 3.958 ( -8.241 0.000 0.000) 8.241 4.002 ( -3.808 0.000 0.000) 3.808 4.022 ( -5.273 0.000 0.000) 5.273 4.378 ( -4.148 0.000 0.000) 4.148 4.571 ( -2.790 0.000 0.000) 2.790 4.702 ( 0.732 0.000 0.000) 0.732 4.814 ( -5.672 0.000 0.000) 5.672 4.930 ( 0.795 0.000 0.000) 0.795 5.029 ( 5.846 0.000 0.000) 5.846 5.245 ( -1.797 0.000 0.000) 1.797 5.259 ( -6.123 0.000 0.000) 6.123 5.301 ( 5.304 0.000 0.000) 5.304 5.411 ( 4.864 0.000 0.000) 4.864 5.706 ( 1.243 0.000 0.000) 1.243 5.840 ( 1.882 0.000 0.000) 1.882 5.989 ( 0.256 0.000 0.000) 0.256 6.129 ( 2.933 0.000 0.000) 2.933 6.200 ( 4.867 0.000 0.000) 4.867 6.212 ( 7.053 0.000 0.000) 7.053 6.391 ( -0.089 0.000 0.000) 0.089 6.446 ( 0.548 0.000 0.000) 0.548 6.655 ( -7.947 0.000 0.000) 7.947 7.360 ( 1.646 0.000 0.000) 1.646 7.590 ( 2.537 0.000 0.000) 2.537 7.669 ( -7.296 0.000 0.000) 7.296 7.907 ( -1.835 0.000 0.000) 1.835 7.954 ( 0.527 0.000 0.000) 0.527 8.030 ( -2.921 0.000 0.000) 2.921 8.258 ( 2.497 0.000 0.000) 2.497 8.478 ( -6.273 0.000 0.000) 6.273 8.631 ( -10.936 0.000 0.000) 10.936 8.689 ( 1.316 0.000 0.000) 1.316 9.196 ( -0.524 0.000 0.000) 0.524 9.247 ( -4.899 0.000 0.000) 4.899 9.597 ( -3.081 0.000 0.000) 3.081 9.601 ( 1.012 0.000 0.000) 1.012 9.774 ( -3.100 0.000 0.000) 3.100 9.786 ( 0.386 0.000 0.000) 0.386 10.155 ( 4.523 0.000 0.000) 4.523 10.297 ( 5.900 0.000 0.000) 5.900 10.476 ( 8.262 0.000 0.000) 8.262 10.696 ( 3.124 0.000 0.000) 3.124 10.991 ( 12.275 0.000 0.000) 12.275 11.049 ( 7.351 0.000 0.000) 7.351 11.693 ( 5.616 0.000 0.000) 5.616 11.875 ( 3.479 0.000 0.000) 3.479 12.198 ( 3.436 0.000 0.000) 3.436 12.435 ( 1.809 0.000 0.000) 1.809 12.790 ( -3.489 0.000 0.000) 3.489 12.812 ( 1.959 0.000 0.000) 1.959 13.116 ( 6.685 0.000 0.000) 6.685 13.567 ( -9.813 0.000 0.000) 9.813 13.913 ( -2.249 0.000 0.000) 2.249 14.317 ( -3.126 0.000 0.000) 3.126 14.338 ( 7.161 0.000 0.000) 7.161 14.589 ( -0.558 0.000 0.000) 0.558 14.694 ( -2.501 0.000 0.000) 2.501 14.967 ( -5.518 0.000 0.000) 5.518 15.161 ( -6.591 0.000 0.000) 6.591 15.429 ( 0.300 0.000 0.000) 0.300 15.571 ( -9.179 0.000 0.000) 9.179 16.282 ( -1.365 0.000 0.000) 1.365 16.455 ( -2.011 0.000 0.000) 2.011 16.587 ( 3.620 0.000 0.000) 3.620 16.736 ( -5.436 0.000 0.000) 5.436 17.363 ( 12.537 0.000 0.000) 12.537 17.376 ( 1.665 0.000 0.000) 1.665 17.717 ( -1.234 0.000 0.000) 1.234 17.730 ( 3.645 0.000 0.000) 3.645 17.931 ( 2.689 0.000 0.000) 2.689 17.969 ( -2.233 0.000 0.000) 2.233 18.595 ( -0.697 0.000 0.000) 0.697 18.811 ( 4.033 0.000 0.000) 4.033 18.820 ( 7.807 0.000 0.000) 7.807 19.104 ( -1.160 0.000 0.000) 1.160 19.289 ( -2.771 0.000 0.000) 2.771 19.290 ( -2.199 0.000 0.000) 2.199 19.663 ( -0.067 0.000 0.000) 0.067 19.677 ( -0.877 0.000 0.000) 0.877 20.272 ( 9.251 0.000 0.000) 9.251 20.300 ( -13.601 0.000 0.000) 13.601 20.641 ( 3.819 0.000 0.000) 3.819 20.789 ( -0.191 0.000 0.000) 0.191 20.956 ( 2.380 0.000 0.000) 2.380 21.153 ( -5.165 0.000 0.000) 5.165 21.666 ( -6.894 0.000 0.000) 6.894 21.701 ( 0.999 0.000 0.000) 0.999 22.073 ( 0.657 0.000 0.000) 0.657 22.151 ( 2.062 0.000 0.000) 2.062 22.734 ( -6.626 0.000 0.000) 6.626 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.30 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 21.913 0.000 0.000) 21.913 1.678 ( 25.921 0.000 0.000) 25.921 2.190 ( -8.761 0.000 0.000) 8.761 2.369 ( 3.063 0.000 0.000) 3.063 2.641 ( 6.749 0.000 0.000) 6.749 2.726 ( -1.970 0.000 0.000) 1.970 2.739 ( 13.989 0.000 0.000) 13.989 2.841 ( -5.319 0.000 0.000) 5.319 2.885 ( -0.074 0.000 0.000) 0.074 2.978 ( -5.197 0.000 0.000) 5.197 3.026 ( -3.076 0.000 0.000) 3.076 3.132 ( -2.899 0.000 0.000) 2.899 3.207 ( -1.911 0.000 0.000) 1.911 3.227 ( 10.251 0.000 0.000) 10.251 3.333 ( 1.396 0.000 0.000) 1.396 3.349 ( -0.262 0.000 0.000) 0.262 3.481 ( -3.825 0.000 0.000) 3.825 3.630 ( 4.750 0.000 0.000) 4.750 3.822 ( -2.332 0.000 0.000) 2.332 3.911 ( -4.145 0.000 0.000) 4.145 3.971 ( 0.172 0.000 0.000) 0.172 4.336 ( -0.418 0.000 0.000) 0.418 4.536 ( -0.998 0.000 0.000) 0.998 4.699 ( -1.241 0.000 0.000) 1.241 4.720 ( -4.593 0.000 0.000) 4.593 4.957 ( 0.743 0.000 0.000) 0.743 5.115 ( 1.587 0.000 0.000) 1.587 5.203 ( -1.839 0.000 0.000) 1.839 5.211 ( 2.658 0.000 0.000) 2.658 5.381 ( 3.034 0.000 0.000) 3.034 5.498 ( 3.876 0.000 0.000) 3.876 5.705 ( -0.970 0.000 0.000) 0.970 5.831 ( -2.214 0.000 0.000) 2.214 5.996 ( -0.358 0.000 0.000) 0.358 6.161 ( 1.207 0.000 0.000) 1.207 6.300 ( 4.116 0.000 0.000) 4.116 6.321 ( -3.168 0.000 0.000) 3.168 6.377 ( 5.293 0.000 0.000) 5.293 6.480 ( 3.174 0.000 0.000) 3.174 6.533 ( -3.992 0.000 0.000) 3.992 7.401 ( 2.294 0.000 0.000) 2.294 7.548 ( -4.868 0.000 0.000) 4.868 7.647 ( 3.310 0.000 0.000) 3.310 7.858 ( -3.893 0.000 0.000) 3.893 7.947 ( -0.911 0.000 0.000) 0.911 7.989 ( -0.518 0.000 0.000) 0.518 8.320 ( 3.840 0.000 0.000) 3.840 8.338 ( -7.372 0.000 0.000) 7.372 8.419 ( -10.528 0.000 0.000) 10.528 8.703 ( -0.929 0.000 0.000) 0.929 9.149 ( -4.473 0.000 0.000) 4.473 9.162 ( -2.707 0.000 0.000) 2.707 9.586 ( 1.962 0.000 0.000) 1.962 9.589 ( -1.806 0.000 0.000) 1.806 9.703 ( -4.021 0.000 0.000) 4.021 9.799 ( 0.935 0.000 0.000) 0.935 10.275 ( 6.654 0.000 0.000) 6.654 10.401 ( 4.482 0.000 0.000) 4.482 10.625 ( 6.862 0.000 0.000) 6.862 10.755 ( 2.690 0.000 0.000) 2.690 11.178 ( 5.712 0.000 0.000) 5.712 11.187 ( 7.575 0.000 0.000) 7.575 11.797 ( 4.911 0.000 0.000) 4.911 11.931 ( 2.048 0.000 0.000) 2.048 12.282 ( 5.130 0.000 0.000) 5.130 12.483 ( 3.108 0.000 0.000) 3.108 12.719 ( -3.387 0.000 0.000) 3.387 12.894 ( 6.264 0.000 0.000) 6.264 13.244 ( 5.877 0.000 0.000) 5.877 13.338 ( -12.426 0.000 0.000) 12.426 13.937 ( 4.221 0.000 0.000) 4.221 14.259 ( -2.670 0.000 0.000) 2.670 14.463 ( 5.346 0.000 0.000) 5.346 14.545 ( -3.612 0.000 0.000) 3.612 14.635 ( -3.645 0.000 0.000) 3.645 14.862 ( -5.232 0.000 0.000) 5.232 15.085 ( -1.056 0.000 0.000) 1.056 15.386 ( -9.882 0.000 0.000) 9.882 15.443 ( 1.449 0.000 0.000) 1.449 16.092 ( -13.094 0.000 0.000) 13.094 16.517 ( 4.675 0.000 0.000) 4.675 16.649 ( -3.262 0.000 0.000) 3.262 16.716 ( 8.260 0.000 0.000) 8.260 17.362 ( -3.700 0.000 0.000) 3.700 17.611 ( 12.555 0.000 0.000) 12.555 17.709 ( 1.220 0.000 0.000) 1.220 17.801 ( 3.602 0.000 0.000) 3.602 17.963 ( 1.908 0.000 0.000) 1.908 18.021 ( 5.399 0.000 0.000) 5.399 18.533 ( -5.781 0.000 0.000) 5.781 18.882 ( 2.773 0.000 0.000) 2.773 18.925 ( 2.566 0.000 0.000) 2.566 19.077 ( -0.854 0.000 0.000) 0.854 19.233 ( -1.718 0.000 0.000) 1.718 19.248 ( -1.515 0.000 0.000) 1.515 19.669 ( -0.285 0.000 0.000) 0.285 19.683 ( 1.885 0.000 0.000) 1.885 20.005 ( -16.010 0.000 0.000) 16.010 20.471 ( 10.454 0.000 0.000) 10.454 20.715 ( 3.601 0.000 0.000) 3.601 20.787 ( -0.001 0.000 0.000) 0.001 21.004 ( 2.782 0.000 0.000) 2.782 21.059 ( -4.810 0.000 0.000) 4.810 21.514 ( -8.695 0.000 0.000) 8.695 21.743 ( 3.411 0.000 0.000) 3.411 22.055 ( -2.358 0.000 0.000) 2.358 22.191 ( 2.231 0.000 0.000) 2.231 22.600 ( -7.113 0.000 0.000) 7.113 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.40 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 10.834 0.000 0.000) 10.834 2.036 ( -5.627 0.000 0.000) 5.627 2.142 ( 21.803 0.000 0.000) 21.803 2.458 ( 5.388 0.000 0.000) 5.388 2.615 ( -4.741 0.000 0.000) 4.741 2.699 ( -6.541 0.000 0.000) 6.541 2.726 ( -7.184 0.000 0.000) 7.184 2.789 ( -3.995 0.000 0.000) 3.995 2.792 ( 3.694 0.000 0.000) 3.694 2.896 ( -9.332 0.000 0.000) 9.332 2.966 ( -2.190 0.000 0.000) 2.190 3.092 ( 2.914 0.000 0.000) 2.914 3.105 ( -5.981 0.000 0.000) 5.981 3.267 ( -2.452 0.000 0.000) 2.452 3.381 ( 1.594 0.000 0.000) 1.594 3.468 ( 2.557 0.000 0.000) 2.557 3.473 ( -0.720 0.000 0.000) 0.720 3.653 ( -3.549 0.000 0.000) 3.549 3.852 ( 7.188 0.000 0.000) 7.188 4.001 ( 1.628 0.000 0.000) 1.628 4.116 ( 23.795 0.000 0.000) 23.795 4.355 ( 2.584 0.000 0.000) 2.584 4.501 ( -3.580 0.000 0.000) 3.580 4.637 ( -3.393 0.000 0.000) 3.393 4.658 ( -2.440 0.000 0.000) 2.440 4.901 ( -7.919 0.000 0.000) 7.919 5.134 ( 1.523 0.000 0.000) 1.523 5.186 ( -0.409 0.000 0.000) 0.409 5.304 ( 5.027 0.000 0.000) 5.027 5.408 ( -0.487 0.000 0.000) 0.487 5.571 ( 4.235 0.000 0.000) 4.235 5.711 ( 2.733 0.000 0.000) 2.733 5.764 ( -4.594 0.000 0.000) 4.594 5.943 ( -5.415 0.000 0.000) 5.415 6.177 ( 0.567 0.000 0.000) 0.567 6.230 ( -3.490 0.000 0.000) 3.490 6.368 ( 3.345 0.000 0.000) 3.345 6.479 ( -2.316 0.000 0.000) 2.316 6.490 ( 4.619 0.000 0.000) 4.619 6.539 ( 2.027 0.000 0.000) 2.027 7.435 ( 1.059 0.000 0.000) 1.059 7.481 ( -2.321 0.000 0.000) 2.321 7.704 ( 2.135 0.000 0.000) 2.135 7.774 ( -3.770 0.000 0.000) 3.770 7.948 ( 1.842 0.000 0.000) 1.842 8.009 ( 1.996 0.000 0.000) 1.996 8.202 ( -6.479 0.000 0.000) 6.479 8.237 ( -7.612 0.000 0.000) 7.612 8.413 ( 5.527 0.000 0.000) 5.527 8.645 ( -4.827 0.000 0.000) 4.827 9.087 ( -1.900 0.000 0.000) 1.900 9.108 ( -2.503 0.000 0.000) 2.503 9.560 ( -0.663 0.000 0.000) 0.663 9.626 ( -3.376 0.000 0.000) 3.376 9.658 ( 4.541 0.000 0.000) 4.541 9.801 ( -1.177 0.000 0.000) 1.177 10.387 ( 4.743 0.000 0.000) 4.743 10.459 ( 1.365 0.000 0.000) 1.365 10.733 ( 4.235 0.000 0.000) 4.235 10.792 ( 0.997 0.000 0.000) 0.997 11.264 ( 3.216 0.000 0.000) 3.216 11.283 ( 2.669 0.000 0.000) 2.669 11.876 ( 3.253 0.000 0.000) 3.253 11.948 ( -0.310 0.000 0.000) 0.310 12.384 ( 5.143 0.000 0.000) 5.143 12.525 ( -0.273 0.000 0.000) 0.273 12.698 ( 2.785 0.000 0.000) 2.785 12.970 ( -3.304 0.000 0.000) 3.304 13.182 ( 0.644 0.000 0.000) 0.644 13.318 ( 1.209 0.000 0.000) 1.209 14.052 ( 6.857 0.000 0.000) 6.857 14.215 ( -2.105 0.000 0.000) 2.105 14.469 ( -2.517 0.000 0.000) 2.517 14.551 ( -4.871 0.000 0.000) 4.871 14.561 ( 4.460 0.000 0.000) 4.460 14.765 ( -5.073 0.000 0.000) 5.073 15.095 ( 1.114 0.000 0.000) 1.114 15.212 ( -7.362 0.000 0.000) 7.362 15.501 ( 4.993 0.000 0.000) 4.993 15.845 ( -11.978 0.000 0.000) 11.978 16.585 ( 2.189 0.000 0.000) 2.189 16.612 ( -0.817 0.000 0.000) 0.817 16.888 ( 9.386 0.000 0.000) 9.386 17.243 ( -8.029 0.000 0.000) 8.029 17.761 ( 3.503 0.000 0.000) 3.503 17.803 ( 5.350 0.000 0.000) 5.350 17.874 ( 5.248 0.000 0.000) 5.248 18.056 ( 7.780 0.000 0.000) 7.780 18.082 ( -0.268 0.000 0.000) 0.268 18.390 ( -8.267 0.000 0.000) 8.267 18.897 ( -0.780 0.000 0.000) 0.780 18.923 ( -1.878 0.000 0.000) 1.878 19.123 ( 5.965 0.000 0.000) 5.965 19.238 ( 2.039 0.000 0.000) 2.039 19.239 ( 0.087 0.000 0.000) 0.087 19.600 ( -10.497 0.000 0.000) 10.497 19.719 ( 1.504 0.000 0.000) 1.504 19.765 ( -5.011 0.000 0.000) 5.011 20.661 ( 9.146 0.000 0.000) 9.146 20.769 ( 1.898 0.000 0.000) 1.898 20.789 ( 0.102 0.000 0.000) 0.102 20.958 ( -5.860 0.000 0.000) 5.860 21.073 ( 4.571 0.000 0.000) 4.571 21.341 ( -8.927 0.000 0.000) 8.927 21.826 ( 4.787 0.000 0.000) 4.787 21.994 ( -3.724 0.000 0.000) 3.724 22.245 ( 3.631 0.000 0.000) 3.631 22.463 ( -6.971 0.000 0.000) 6.971 ======================= Grid point 5 (6/72) ======================= 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -0.061 0.000 0.000) 0.061 1.993 ( 0.061 0.000 0.000) 0.061 2.478 ( -9.521 0.000 0.000) 9.521 2.478 ( 9.521 0.000 0.000) 9.521 2.581 ( -2.849 0.000 0.000) 2.849 2.581 ( 2.849 0.000 0.000) 2.849 2.709 ( -4.376 0.000 0.000) 4.376 2.709 ( 4.376 0.000 0.000) 4.376 2.774 ( -1.767 0.000 0.000) 1.767 2.774 ( 1.767 0.000 0.000) 1.767 2.991 ( -5.222 0.000 0.000) 5.222 2.991 ( 5.222 0.000 0.000) 5.222 3.192 ( -5.237 0.000 0.000) 5.237 3.192 ( 5.237 0.000 0.000) 5.237 3.420 ( -2.805 0.000 0.000) 2.805 3.420 ( 2.805 0.000 0.000) 2.805 3.547 ( -5.265 0.000 0.000) 5.265 3.547 ( 5.265 0.000 0.000) 5.265 3.985 ( -4.099 0.000 0.000) 4.099 3.985 ( 4.099 0.000 0.000) 4.099 4.406 ( -5.304 0.000 0.000) 5.304 4.406 ( 5.304 0.000 0.000) 5.304 4.573 ( -11.197 0.000 0.000) 11.197 4.573 ( 11.197 0.000 0.000) 11.197 4.656 ( -9.002 0.000 0.000) 9.002 4.656 ( 9.002 0.000 0.000) 9.002 5.168 ( -1.547 0.000 0.000) 1.547 5.168 ( 1.547 0.000 0.000) 1.547 5.378 ( -2.554 0.000 0.000) 2.554 5.378 ( 2.554 0.000 0.000) 2.554 5.664 ( -5.326 0.000 0.000) 5.326 5.664 ( 5.326 0.000 0.000) 5.326 5.813 ( -7.033 0.000 0.000) 7.033 5.813 ( 7.033 0.000 0.000) 7.033 6.191 ( -1.047 0.000 0.000) 1.047 6.191 ( 1.047 0.000 0.000) 1.047 6.430 ( -2.943 0.000 0.000) 2.943 6.430 ( 2.943 0.000 0.000) 2.943 6.546 ( -1.231 0.000 0.000) 1.231 6.546 ( 1.231 0.000 0.000) 1.231 7.451 ( -0.983 0.000 0.000) 0.983 7.451 ( 0.983 0.000 0.000) 0.983 7.730 ( -1.131 0.000 0.000) 1.131 7.730 ( 1.131 0.000 0.000) 1.131 8.014 ( -3.243 0.000 0.000) 3.243 8.014 ( 3.243 0.000 0.000) 3.243 8.137 ( -1.813 0.000 0.000) 1.813 8.137 ( 1.813 0.000 0.000) 1.813 8.531 ( -6.472 0.000 0.000) 6.472 8.531 ( 6.472 0.000 0.000) 6.472 9.076 ( -0.667 0.000 0.000) 0.667 9.076 ( 0.667 0.000 0.000) 0.667 9.572 ( -1.893 0.000 0.000) 1.893 9.572 ( 1.893 0.000 0.000) 1.893 9.748 ( -4.122 0.000 0.000) 4.122 9.748 ( 4.122 0.000 0.000) 4.122 10.453 ( -1.943 0.000 0.000) 1.943 10.453 ( 1.943 0.000 0.000) 1.943 10.788 ( -1.487 0.000 0.000) 1.487 10.788 ( 1.487 0.000 0.000) 1.487 11.301 ( -0.597 0.000 0.000) 0.597 11.301 ( 0.597 0.000 0.000) 0.597 11.925 ( -1.884 0.000 0.000) 1.884 11.925 ( 1.884 0.000 0.000) 1.884 12.474 ( -4.072 0.000 0.000) 4.072 12.474 ( 4.072 0.000 0.000) 4.072 12.820 ( -8.553 0.000 0.000) 8.553 12.820 ( 8.553 0.000 0.000) 8.553 13.279 ( -5.019 0.000 0.000) 5.019 13.279 ( 5.019 0.000 0.000) 5.019 14.163 ( -3.941 0.000 0.000) 3.941 14.163 ( 3.941 0.000 0.000) 3.941 14.469 ( -2.751 0.000 0.000) 2.751 14.469 ( 2.751 0.000 0.000) 2.751 14.659 ( -5.674 0.000 0.000) 5.674 14.659 ( 5.674 0.000 0.000) 5.674 15.121 ( -2.275 0.000 0.000) 2.275 15.121 ( 2.275 0.000 0.000) 2.275 15.639 ( -9.152 0.000 0.000) 9.152 15.639 ( 9.152 0.000 0.000) 9.152 16.605 ( -0.273 0.000 0.000) 0.273 16.605 ( 0.273 0.000 0.000) 0.273 17.071 ( -9.404 0.000 0.000) 9.404 17.071 ( 9.404 0.000 0.000) 9.404 17.818 ( -1.892 0.000 0.000) 1.892 17.818 ( 1.892 0.000 0.000) 1.892 18.006 ( -6.650 0.000 0.000) 6.650 18.006 ( 6.650 0.000 0.000) 6.650 18.227 ( -8.859 0.000 0.000) 8.859 18.227 ( 8.859 0.000 0.000) 8.859 18.891 ( -0.758 0.000 0.000) 0.758 18.891 ( 0.758 0.000 0.000) 0.758 19.226 ( -2.220 0.000 0.000) 2.220 19.226 ( 2.220 0.000 0.000) 2.220 19.355 ( -11.440 0.000 0.000) 11.440 19.355 ( 11.440 0.000 0.000) 11.440 19.737 ( -0.472 0.000 0.000) 0.472 19.737 ( 0.472 0.000 0.000) 0.472 20.786 ( -0.663 0.000 0.000) 0.663 20.786 ( 0.663 0.000 0.000) 0.663 20.828 ( -7.479 0.000 0.000) 7.479 20.828 ( 7.479 0.000 0.000) 7.479 21.184 ( -7.018 0.000 0.000) 7.018 21.184 ( 7.018 0.000 0.000) 7.018 21.916 ( -4.363 0.000 0.000) 4.363 21.916 ( 4.363 0.000 0.000) 4.363 22.337 ( -5.860 0.000 0.000) 5.860 22.337 ( 5.860 0.000 0.000) 5.860 ======================= Grid point 11 (7/72) ======================= q-point: ( 0.00 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 27.993 0.000) 27.993 0.572 ( 0.000 30.106 0.000) 30.106 1.006 ( 0.000 52.702 0.000) 52.702 2.147 ( 0.000 -11.869 0.000) 11.869 2.275 ( 0.000 6.282 0.000) 6.282 2.439 ( 0.000 -13.800 0.000) 13.800 2.528 ( 0.000 3.644 0.000) 3.644 2.722 ( 0.000 -1.044 0.000) 1.044 2.860 ( 0.000 3.216 0.000) 3.216 2.896 ( 0.000 -1.438 0.000) 1.438 3.043 ( 0.000 -1.858 0.000) 1.858 3.171 ( 0.000 -0.074 0.000) 0.074 3.217 ( 0.000 -3.292 0.000) 3.292 3.360 ( 0.000 8.657 0.000) 8.657 3.418 ( 0.000 2.224 0.000) 2.224 3.455 ( 0.000 -2.952 0.000) 2.952 3.551 ( 0.000 -0.142 0.000) 0.142 3.799 ( 0.000 0.867 0.000) 0.867 3.992 ( 0.000 -9.587 0.000) 9.587 3.994 ( 0.000 -0.986 0.000) 0.986 4.247 ( 0.000 0.367 0.000) 0.367 4.408 ( 0.000 -11.937 0.000) 11.937 4.616 ( 0.000 -6.062 0.000) 6.062 4.657 ( 0.000 -0.747 0.000) 0.747 4.865 ( 0.000 0.540 0.000) 0.540 4.999 ( 0.000 6.875 0.000) 6.875 5.061 ( 0.000 0.941 0.000) 0.941 5.298 ( 0.000 3.268 0.000) 3.268 5.328 ( 0.000 6.787 0.000) 6.787 5.527 ( 0.000 -1.876 0.000) 1.876 5.549 ( 0.000 0.852 0.000) 0.852 5.629 ( 0.000 1.459 0.000) 1.459 5.785 ( 0.000 9.829 0.000) 9.829 5.847 ( 0.000 -7.090 0.000) 7.090 5.965 ( 0.000 -1.393 0.000) 1.393 6.155 ( 0.000 -1.131 0.000) 1.131 6.198 ( 0.000 2.150 0.000) 2.150 6.310 ( 0.000 -2.662 0.000) 2.662 6.394 ( 0.000 -3.290 0.000) 3.290 6.545 ( 0.000 -2.557 0.000) 2.557 7.386 ( 0.000 4.050 0.000) 4.050 7.536 ( 0.000 0.217 0.000) 0.217 7.829 ( 0.000 -2.196 0.000) 2.196 7.931 ( 0.000 1.709 0.000) 1.709 7.984 ( 0.000 0.792 0.000) 0.792 8.160 ( 0.000 2.600 0.000) 2.600 8.185 ( 0.000 -1.945 0.000) 1.945 8.438 ( 0.000 1.595 0.000) 1.595 8.702 ( 0.000 -10.463 0.000) 10.463 9.066 ( 0.000 6.656 0.000) 6.656 9.087 ( 0.000 -5.560 0.000) 5.560 9.216 ( 0.000 -0.174 0.000) 0.174 9.634 ( 0.000 -0.986 0.000) 0.986 9.701 ( 0.000 -1.249 0.000) 1.249 9.757 ( 0.000 -1.075 0.000) 1.075 9.797 ( 0.000 -0.379 0.000) 0.379 10.111 ( 0.000 -2.186 0.000) 2.186 10.220 ( 0.000 -0.507 0.000) 0.507 10.271 ( 0.000 2.690 0.000) 2.690 10.353 ( 0.000 -0.252 0.000) 0.252 10.908 ( 0.000 5.563 0.000) 5.563 10.979 ( 0.000 3.960 0.000) 3.960 11.299 ( 0.000 -4.806 0.000) 4.806 11.545 ( 0.000 -2.294 0.000) 2.294 12.138 ( 0.000 0.648 0.000) 0.648 12.386 ( 0.000 -1.663 0.000) 1.663 12.818 ( 0.000 0.078 0.000) 0.078 12.925 ( 0.000 -2.562 0.000) 2.562 13.093 ( 0.000 6.060 0.000) 6.060 13.579 ( 0.000 -2.356 0.000) 2.356 14.117 ( 0.000 1.695 0.000) 1.695 14.188 ( 0.000 4.966 0.000) 4.966 14.462 ( 0.000 -4.917 0.000) 4.917 14.708 ( 0.000 -3.551 0.000) 3.551 14.989 ( 0.000 2.586 0.000) 2.586 15.149 ( 0.000 3.897 0.000) 3.897 15.191 ( 0.000 -0.313 0.000) 0.313 15.413 ( 0.000 -1.335 0.000) 1.335 15.927 ( 0.000 3.109 0.000) 3.109 16.194 ( 0.000 0.510 0.000) 0.510 16.457 ( 0.000 -1.947 0.000) 1.947 16.545 ( 0.000 -3.363 0.000) 3.363 16.814 ( 0.000 -5.051 0.000) 5.051 16.966 ( 0.000 -1.738 0.000) 1.738 17.244 ( 0.000 6.452 0.000) 6.452 17.359 ( 0.000 0.769 0.000) 0.769 17.723 ( 0.000 -1.842 0.000) 1.842 17.951 ( 0.000 -9.167 0.000) 9.167 18.056 ( 0.000 3.324 0.000) 3.324 18.548 ( 0.000 -3.819 0.000) 3.819 18.607 ( 0.000 5.434 0.000) 5.434 18.779 ( 0.000 6.880 0.000) 6.880 19.227 ( 0.000 -1.271 0.000) 1.271 19.295 ( 0.000 -3.056 0.000) 3.056 19.308 ( 0.000 1.835 0.000) 1.835 19.418 ( 0.000 -0.632 0.000) 0.632 19.731 ( 0.000 2.035 0.000) 2.035 20.133 ( 0.000 -3.286 0.000) 3.286 20.443 ( 0.000 0.335 0.000) 0.335 20.690 ( 0.000 9.737 0.000) 9.737 20.841 ( 0.000 -4.786 0.000) 4.786 21.129 ( 0.000 0.244 0.000) 0.244 21.423 ( 0.000 0.936 0.000) 0.936 21.531 ( 0.000 -0.877 0.000) 0.877 21.721 ( 0.000 1.723 0.000) 1.723 21.963 ( 0.000 -2.440 0.000) 2.440 22.379 ( 0.000 1.902 0.000) 1.902 22.680 ( 0.000 -3.302 0.000) 3.302 ======================= Grid point 12 (8/72) ======================= q-point: ( 0.10 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 19.251 17.985 0.000) 26.345 0.798 ( 21.189 19.415 0.000) 28.738 1.466 ( 36.978 33.523 0.000) 49.912 2.165 ( 1.949 -10.500 0.000) 10.679 2.346 ( 5.715 2.361 0.000) 6.183 2.485 ( 1.710 -0.564 0.000) 1.801 2.532 ( 3.256 -6.082 0.000) 6.899 2.768 ( 3.861 -0.333 0.000) 3.876 2.870 ( 1.338 1.916 0.000) 2.337 2.931 ( 3.394 -2.192 0.000) 4.040 3.017 ( -2.377 -1.288 0.000) 2.704 3.160 ( -0.787 0.796 0.000) 1.119 3.193 ( -1.963 -4.213 0.000) 4.648 3.338 ( -1.695 6.490 0.000) 6.708 3.426 ( -0.514 2.621 0.000) 2.671 3.467 ( 1.742 -2.336 0.000) 2.914 3.533 ( -1.887 1.275 0.000) 2.277 3.749 ( -4.812 0.429 0.000) 4.831 3.979 ( -1.469 -7.538 0.000) 7.679 4.001 ( -0.880 -3.233 0.000) 3.351 4.151 ( -8.110 -1.419 0.000) 8.233 4.411 ( 0.172 -6.385 0.000) 6.387 4.585 ( -4.320 -4.066 0.000) 5.933 4.642 ( 0.235 -2.379 0.000) 2.391 4.868 ( -0.397 -2.422 0.000) 2.455 4.995 ( 2.579 6.034 0.000) 6.563 5.095 ( -3.979 3.828 0.000) 5.522 5.247 ( -1.333 6.147 0.000) 6.290 5.333 ( 0.176 6.647 0.000) 6.649 5.422 ( -3.007 7.440 0.000) 8.025 5.439 ( -6.000 3.192 0.000) 6.796 5.651 ( 5.234 0.599 0.000) 5.268 5.797 ( 2.276 2.278 0.000) 3.221 5.931 ( 5.545 -2.801 0.000) 6.213 6.023 ( 3.104 -1.366 0.000) 3.391 6.156 ( -0.336 1.683 0.000) 1.716 6.182 ( -1.067 1.214 0.000) 1.616 6.319 ( 1.808 -4.357 0.000) 4.717 6.427 ( 0.852 -1.995 0.000) 2.169 6.626 ( 1.339 -11.912 0.000) 11.987 7.370 ( -0.971 2.759 0.000) 2.925 7.560 ( 1.955 0.794 0.000) 2.110 7.787 ( -4.167 -1.102 0.000) 4.310 7.919 ( -1.033 0.298 0.000) 1.075 7.990 ( 0.488 2.048 0.000) 2.105 8.110 ( -3.603 2.989 0.000) 4.682 8.203 ( 1.573 -1.888 0.000) 2.458 8.504 ( 4.410 1.082 0.000) 4.541 8.614 ( -7.058 -9.409 0.000) 11.762 8.919 ( -10.366 5.026 0.000) 11.520 9.065 ( -1.606 -7.852 0.000) 8.014 9.253 ( 0.384 -3.374 0.000) 3.396 9.529 ( -0.346 -0.154 0.000) 0.379 9.726 ( -1.464 -2.506 0.000) 2.902 9.782 ( 2.627 3.604 0.000) 4.460 9.853 ( -0.302 1.986 0.000) 2.009 10.158 ( 3.894 -1.232 0.000) 4.084 10.192 ( -1.550 2.891 0.000) 3.280 10.353 ( 6.007 0.619 0.000) 6.039 10.492 ( 9.530 -7.094 0.000) 11.880 10.934 ( 3.189 10.098 0.000) 10.590 10.968 ( 5.606 5.420 0.000) 7.798 11.542 ( 8.747 -8.193 0.000) 11.985 11.629 ( 10.213 -7.928 0.000) 12.929 12.149 ( 1.322 0.349 0.000) 1.367 12.384 ( 0.238 -2.168 0.000) 2.181 12.828 ( 0.523 0.636 0.000) 0.824 12.891 ( -3.681 0.518 0.000) 3.717 13.078 ( 1.789 8.103 0.000) 8.298 13.622 ( 1.666 -4.119 0.000) 4.443 14.027 ( -7.942 1.034 0.000) 8.009 14.170 ( -0.750 -0.743 0.000) 1.056 14.433 ( -3.181 -0.318 0.000) 3.196 14.632 ( -2.455 1.216 0.000) 2.740 14.822 ( -4.879 9.739 0.000) 10.893 15.080 ( -4.597 1.533 0.000) 4.845 15.262 ( -2.173 -2.348 0.000) 3.199 15.399 ( -0.936 -2.031 0.000) 2.236 15.828 ( -9.185 6.390 0.000) 11.189 16.193 ( 5.930 2.662 0.000) 6.500 16.434 ( 2.725 -2.137 0.000) 3.463 16.594 ( -7.122 -7.744 0.000) 10.521 16.818 ( -1.632 -2.620 0.000) 3.086 17.074 ( 7.043 -6.001 0.000) 9.253 17.378 ( 2.569 2.045 0.000) 3.283 17.454 ( 13.244 -5.614 0.000) 14.385 17.733 ( 1.277 -1.695 0.000) 2.122 17.960 ( -0.618 -3.066 0.000) 3.128 18.072 ( 0.658 4.509 0.000) 4.557 18.602 ( 2.709 -3.425 0.000) 4.367 18.619 ( 3.253 1.877 0.000) 3.755 18.804 ( 2.342 5.073 0.000) 5.587 19.138 ( -3.881 1.633 0.000) 4.211 19.265 ( -2.135 -1.714 0.000) 2.738 19.301 ( 0.571 -2.578 0.000) 2.640 19.524 ( 3.494 -8.008 0.000) 8.737 19.739 ( 0.918 3.993 0.000) 4.097 20.136 ( 1.563 -1.959 0.000) 2.506 20.433 ( -2.445 -1.408 0.000) 2.821 20.688 ( 0.064 8.932 0.000) 8.932 20.828 ( -1.228 -4.015 0.000) 4.198 21.022 ( -4.731 7.955 0.000) 9.256 21.295 ( -6.467 3.775 0.000) 7.488 21.622 ( 0.940 -6.975 0.000) 7.038 21.746 ( 0.715 0.603 0.000) 0.935 21.965 ( 1.134 -3.109 0.000) 3.310 22.282 ( -3.231 8.587 0.000) 9.175 22.748 ( 0.392 -7.086 0.000) 7.097 ======================= Grid point 13 (9/72) ======================= q-point: ( 0.20 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 25.993 6.259 0.000) 26.736 1.246 ( 23.763 11.607 0.000) 26.446 2.154 ( 20.291 2.074 0.000) 20.397 2.249 ( 14.745 1.093 0.000) 14.786 2.380 ( -3.353 -0.260 0.000) 3.363 2.563 ( 10.363 6.423 0.000) 12.192 2.633 ( 4.658 -8.133 0.000) 9.372 2.812 ( 0.722 1.164 0.000) 1.370 2.935 ( -3.102 -1.574 0.000) 3.478 2.952 ( 5.392 -1.344 0.000) 5.557 3.033 ( 4.018 -0.464 0.000) 4.045 3.120 ( -3.050 -3.133 0.000) 4.372 3.178 ( 1.091 1.453 0.000) 1.817 3.287 ( -3.426 1.377 0.000) 3.692 3.402 ( -1.605 4.060 0.000) 4.365 3.456 ( -4.901 1.715 0.000) 5.193 3.543 ( 4.284 1.462 0.000) 4.526 3.624 ( -7.525 1.312 0.000) 7.639 3.913 ( -5.721 -3.824 0.000) 6.881 3.953 ( -4.163 -3.385 0.000) 5.366 4.002 ( -5.161 -2.695 0.000) 5.822 4.405 ( -1.657 3.402 0.000) 3.784 4.498 ( -2.604 -8.233 0.000) 8.635 4.656 ( 0.850 -2.447 0.000) 2.591 4.846 ( -1.537 -2.924 0.000) 3.303 4.951 ( -6.398 7.725 0.000) 10.031 5.102 ( 6.578 4.292 0.000) 7.854 5.243 ( -2.639 0.225 0.000) 2.648 5.324 ( -2.320 6.832 0.000) 7.215 5.364 ( 1.000 4.475 0.000) 4.585 5.455 ( 3.562 4.871 0.000) 6.035 5.727 ( 2.227 2.430 0.000) 3.296 5.839 ( 1.190 -0.037 0.000) 1.190 5.988 ( 0.553 -0.237 0.000) 0.601 6.131 ( 7.651 -2.670 0.000) 8.104 6.152 ( -0.146 0.123 0.000) 0.191 6.218 ( 5.275 -1.500 0.000) 5.484 6.333 ( -0.722 -4.959 0.000) 5.011 6.437 ( 0.324 -1.672 0.000) 1.703 6.580 ( -4.429 -7.064 0.000) 8.338 7.366 ( 0.751 1.124 0.000) 1.351 7.596 ( 1.402 0.029 0.000) 1.403 7.694 ( -4.421 2.594 0.000) 5.126 7.896 ( -1.196 -0.282 0.000) 1.229 7.994 ( -0.403 1.395 0.000) 1.452 8.040 ( -3.812 2.981 0.000) 4.839 8.244 ( 2.513 -1.828 0.000) 3.108 8.447 ( -7.243 -3.440 0.000) 8.018 8.560 ( -3.557 -3.608 0.000) 5.067 8.751 ( -5.023 3.440 0.000) 6.088 9.036 ( -1.325 -11.164 0.000) 11.242 9.202 ( -4.671 -5.966 0.000) 7.577 9.558 ( 2.266 -0.022 0.000) 2.266 9.686 ( -2.793 2.406 0.000) 3.686 9.794 ( -0.615 2.451 0.000) 2.527 9.853 ( -0.305 5.637 0.000) 5.646 10.178 ( 3.186 2.073 0.000) 3.801 10.287 ( 6.243 -0.517 0.000) 6.265 10.477 ( 7.044 -0.504 0.000) 7.062 10.633 ( 5.529 -5.399 0.000) 7.727 11.082 ( 9.776 7.589 0.000) 12.376 11.097 ( 7.167 5.374 0.000) 8.958 11.667 ( 6.095 -2.796 0.000) 6.705 11.809 ( 7.077 -6.006 0.000) 9.282 12.194 ( 3.437 -0.044 0.000) 3.437 12.404 ( 1.881 -2.947 0.000) 3.496 12.804 ( -3.625 1.684 0.000) 3.998 12.853 ( 1.401 2.616 0.000) 2.968 13.163 ( 5.922 5.383 0.000) 8.003 13.583 ( -6.665 1.360 0.000) 6.802 13.875 ( -5.219 -3.327 0.000) 6.190 14.171 ( 0.042 -9.275 0.000) 9.275 14.417 ( 2.108 3.055 0.000) 3.711 14.624 ( -0.206 1.581 0.000) 1.594 14.744 ( -4.012 5.758 0.000) 7.018 14.977 ( -5.565 0.798 0.000) 5.622 15.168 ( -5.709 0.831 0.000) 5.769 15.381 ( -1.182 -3.605 0.000) 3.794 15.657 ( -8.453 7.283 0.000) 11.158 16.258 ( -4.483 -3.055 0.000) 5.425 16.450 ( -1.090 -0.464 0.000) 1.185 16.530 ( 5.346 -4.350 0.000) 6.892 16.755 ( -3.494 1.597 0.000) 3.842 17.206 ( 6.051 -9.856 0.000) 11.565 17.469 ( 6.883 3.012 0.000) 7.513 17.646 ( 7.671 -2.253 0.000) 7.995 17.772 ( 2.289 0.178 0.000) 2.296 17.909 ( -3.644 1.589 0.000) 3.975 18.089 ( 1.836 7.892 0.000) 8.103 18.601 ( -1.659 -0.227 0.000) 1.674 18.732 ( 5.961 -5.140 0.000) 7.871 18.855 ( 2.589 0.952 0.000) 2.759 19.111 ( -0.117 -0.868 0.000) 0.876 19.196 ( -3.924 -2.916 0.000) 4.889 19.317 ( 0.310 -1.235 0.000) 1.274 19.542 ( -0.471 -9.767 0.000) 9.779 19.750 ( -0.035 6.828 0.000) 6.828 20.228 ( 7.353 -2.650 0.000) 7.816 20.322 ( -8.524 1.695 0.000) 8.691 20.697 ( 0.746 4.727 0.000) 4.786 20.813 ( 0.001 -1.004 0.000) 1.004 20.986 ( -0.138 4.885 0.000) 4.887 21.181 ( -5.140 2.463 0.000) 5.700 21.582 ( -4.822 -6.639 0.000) 8.205 21.742 ( 0.390 2.745 0.000) 2.773 22.002 ( 1.897 -4.180 0.000) 4.590 22.255 ( -0.618 7.084 0.000) 7.111 22.691 ( -5.154 -4.170 0.000) 6.629 ======================= Grid point 14 (10/72) ======================= q-point: ( 0.30 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 21.491 7.041 0.000) 22.615 1.691 ( 23.693 2.531 0.000) 23.827 2.196 ( -5.924 -0.311 0.000) 5.932 2.327 ( 2.802 -3.587 0.000) 4.552 2.528 ( 4.464 -6.796 0.000) 8.131 2.687 ( 2.251 -3.863 0.000) 4.471 2.813 ( 3.740 -2.353 0.000) 4.419 2.832 ( -4.983 0.869 0.000) 5.058 2.884 ( 6.217 4.606 0.000) 7.737 2.950 ( -7.365 0.234 0.000) 7.369 3.040 ( -1.139 -0.346 0.000) 1.191 3.138 ( -0.314 -0.696 0.000) 0.764 3.218 ( -3.866 0.482 0.000) 3.896 3.294 ( 7.995 2.757 0.000) 8.457 3.358 ( 0.875 3.867 0.000) 3.965 3.373 ( -1.483 4.164 0.000) 4.421 3.476 ( -2.929 0.471 0.000) 2.967 3.666 ( 5.711 2.386 0.000) 6.189 3.792 ( -4.288 -2.749 0.000) 5.094 3.906 ( 0.692 -1.393 0.000) 1.556 3.943 ( -0.929 -0.886 0.000) 1.284 4.355 ( -1.860 1.908 0.000) 2.665 4.502 ( 1.375 -4.248 0.000) 4.465 4.669 ( 0.364 -0.318 0.000) 0.484 4.811 ( -3.537 4.630 0.000) 5.827 4.860 ( -2.440 -4.105 0.000) 4.776 5.147 ( -1.630 0.628 0.000) 1.747 5.256 ( -1.588 2.874 0.000) 3.283 5.284 ( 4.663 6.821 0.000) 8.263 5.401 ( 1.300 2.361 0.000) 2.696 5.517 ( 2.625 2.539 0.000) 3.652 5.740 ( -0.289 4.080 0.000) 4.091 5.838 ( -0.978 0.973 0.000) 1.380 5.983 ( -1.307 -1.612 0.000) 2.075 6.157 ( 0.776 -0.257 0.000) 0.817 6.266 ( 4.729 -2.932 0.000) 5.565 6.291 ( -2.259 -3.018 0.000) 3.770 6.347 ( 6.596 -3.554 0.000) 7.493 6.446 ( 0.921 -3.160 0.000) 3.291 6.508 ( -2.265 -2.815 0.000) 3.613 7.394 ( 1.924 0.283 0.000) 1.944 7.581 ( -2.646 2.446 0.000) 3.604 7.674 ( 2.211 2.474 0.000) 3.318 7.865 ( -2.632 0.646 0.000) 2.710 7.958 ( -3.274 -1.307 0.000) 3.525 7.982 ( -1.224 2.065 0.000) 2.400 8.264 ( -3.096 -5.354 0.000) 6.185 8.353 ( -0.211 0.197 0.000) 0.289 8.400 ( -9.609 -0.583 0.000) 9.627 8.712 ( -1.565 0.840 0.000) 1.776 9.014 ( -0.966 -10.249 0.000) 10.294 9.112 ( -4.060 -6.085 0.000) 7.315 9.609 ( 3.147 1.702 0.000) 3.578 9.634 ( -2.285 4.468 0.000) 5.019 9.761 ( -3.230 4.094 0.000) 5.215 9.842 ( -0.061 4.518 0.000) 4.518 10.274 ( 5.674 -0.051 0.000) 5.675 10.392 ( 4.272 -1.001 0.000) 4.388 10.612 ( 6.547 -1.428 0.000) 6.701 10.721 ( 3.697 -3.386 0.000) 5.013 11.220 ( 5.527 4.574 0.000) 7.174 11.251 ( 6.576 6.217 0.000) 9.050 11.777 ( 5.000 -2.173 0.000) 5.452 11.903 ( 2.778 -3.084 0.000) 4.151 12.282 ( 5.433 0.166 0.000) 5.436 12.458 ( 3.630 -2.492 0.000) 4.403 12.735 ( -3.183 1.980 0.000) 3.748 12.916 ( 4.552 1.274 0.000) 4.726 13.266 ( 2.737 3.204 0.000) 4.214 13.401 ( -8.468 5.951 0.000) 10.350 13.865 ( 3.126 -6.924 0.000) 7.597 14.157 ( -1.402 -9.290 0.000) 9.395 14.483 ( 3.598 1.240 0.000) 3.806 14.586 ( -3.679 3.546 0.000) 5.110 14.680 ( -2.283 4.182 0.000) 4.764 14.873 ( -5.234 1.019 0.000) 5.332 15.094 ( -1.344 0.997 0.000) 1.674 15.338 ( -3.951 -3.551 0.000) 5.313 15.514 ( -5.236 5.902 0.000) 7.890 16.053 ( -12.901 -4.040 0.000) 13.519 16.517 ( 4.646 -0.017 0.000) 4.646 16.611 ( 1.350 -3.283 0.000) 3.550 16.750 ( 4.586 3.222 0.000) 5.604 17.267 ( -0.279 -8.278 0.000) 8.283 17.637 ( 9.495 1.564 0.000) 9.623 17.772 ( 5.169 -2.078 0.000) 5.571 17.780 ( -0.851 5.105 0.000) 5.176 17.892 ( 2.576 -1.734 0.000) 3.105 18.150 ( 4.194 8.707 0.000) 9.664 18.531 ( -5.414 -0.388 0.000) 5.428 18.828 ( 3.790 -6.519 0.000) 7.540 18.889 ( 0.708 -1.859 0.000) 1.989 19.115 ( 0.789 -2.386 0.000) 2.513 19.143 ( -1.287 0.306 0.000) 1.323 19.301 ( -1.813 1.487 0.000) 2.345 19.523 ( -1.899 -11.527 0.000) 11.682 19.756 ( 1.097 7.184 0.000) 7.268 20.116 ( -10.799 8.757 0.000) 13.903 20.398 ( 8.512 -6.321 0.000) 10.602 20.711 ( 0.587 -1.371 0.000) 1.491 20.828 ( 1.433 2.403 0.000) 2.797 20.993 ( 0.557 1.975 0.000) 2.052 21.102 ( -3.040 2.516 0.000) 3.946 21.452 ( -8.079 -5.977 0.000) 10.050 21.780 ( 3.340 3.395 0.000) 4.763 22.022 ( 0.024 -2.576 0.000) 2.576 22.244 ( -0.402 4.498 0.000) 4.516 22.575 ( -6.531 -2.546 0.000) 7.010 ======================= Grid point 15 (11/72) ======================= q-point: ( 0.40 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 9.645 5.617 0.000) 11.161 2.071 ( -4.042 3.321 0.000) 5.231 2.140 ( 20.627 -0.219 0.000) 20.628 2.414 ( 4.827 -4.120 0.000) 6.346 2.554 ( 0.052 -4.475 0.000) 4.476 2.711 ( -1.214 -3.545 0.000) 3.747 2.717 ( -9.025 1.480 0.000) 9.146 2.750 ( -1.345 1.232 0.000) 1.824 2.871 ( -2.945 2.735 0.000) 4.019 2.907 ( -4.014 1.357 0.000) 4.237 2.977 ( -2.828 1.105 0.000) 3.036 3.076 ( -1.931 -0.075 0.000) 1.932 3.120 ( -6.128 1.459 0.000) 6.300 3.252 ( -4.989 -2.908 0.000) 5.775 3.374 ( 3.002 -0.400 0.000) 3.029 3.421 ( 3.002 0.013 0.000) 3.002 3.567 ( 0.830 5.911 0.000) 5.969 3.643 ( -5.593 -1.575 0.000) 5.810 3.840 ( 6.450 -1.356 0.000) 6.591 3.952 ( 1.224 -4.685 0.000) 4.843 4.147 ( 22.506 2.549 0.000) 22.649 4.356 ( 1.931 1.090 0.000) 2.218 4.501 ( -2.222 -1.106 0.000) 2.482 4.665 ( -0.574 2.492 0.000) 2.558 4.716 ( -4.598 6.821 0.000) 8.226 4.815 ( -5.189 -7.336 0.000) 8.985 5.134 ( 0.903 -0.468 0.000) 1.017 5.214 ( -1.835 2.100 0.000) 2.789 5.356 ( 0.765 2.049 0.000) 2.188 5.403 ( -1.034 2.296 0.000) 2.518 5.579 ( 4.936 0.438 0.000) 4.955 5.747 ( 0.677 3.397 0.000) 3.463 5.811 ( -1.189 4.613 0.000) 4.763 5.926 ( -4.379 -1.021 0.000) 4.496 6.175 ( 1.041 0.030 0.000) 1.042 6.232 ( -2.283 0.284 0.000) 2.300 6.347 ( 3.037 -2.214 0.000) 3.758 6.428 ( 0.034 -5.460 0.000) 5.460 6.474 ( 2.779 -1.872 0.000) 3.351 6.505 ( 1.343 -3.410 0.000) 3.665 7.434 ( 2.104 1.057 0.000) 2.354 7.528 ( -2.747 4.299 0.000) 5.101 7.727 ( 2.405 1.935 0.000) 3.087 7.796 ( -3.585 2.067 0.000) 4.138 7.919 ( 0.172 -3.255 0.000) 3.259 7.984 ( 1.029 -2.027 0.000) 2.273 8.164 ( -5.424 -3.976 0.000) 6.725 8.213 ( -7.866 -2.665 0.000) 8.305 8.433 ( 5.490 2.417 0.000) 5.999 8.654 ( -4.435 1.027 0.000) 4.552 9.002 ( -0.167 -7.631 0.000) 7.633 9.049 ( -2.539 -5.770 0.000) 6.304 9.607 ( -0.334 4.950 0.000) 4.961 9.669 ( -0.031 2.839 0.000) 2.839 9.704 ( 0.837 4.937 0.000) 5.007 9.833 ( -1.494 2.948 0.000) 3.305 10.374 ( 4.357 -1.377 0.000) 4.569 10.445 ( 1.128 -1.604 0.000) 1.961 10.718 ( 4.287 -1.508 0.000) 4.545 10.773 ( 1.477 -2.153 0.000) 2.611 11.304 ( 3.168 4.357 0.000) 5.387 11.332 ( 2.086 4.984 0.000) 5.403 11.855 ( 3.143 -2.248 0.000) 3.864 11.924 ( -0.300 -2.614 0.000) 2.631 12.390 ( 5.405 0.683 0.000) 5.448 12.516 ( 0.998 -0.974 0.000) 1.395 12.708 ( 1.718 1.230 0.000) 2.113 12.947 ( -4.120 -2.390 0.000) 4.763 13.240 ( 1.751 5.966 0.000) 6.217 13.373 ( 0.373 5.607 0.000) 5.619 13.959 ( 5.880 -8.541 0.000) 10.370 14.121 ( -2.295 -8.829 0.000) 9.123 14.507 ( -1.312 2.214 0.000) 2.573 14.546 ( -0.052 2.401 0.000) 2.402 14.648 ( -0.516 5.643 0.000) 5.666 14.777 ( -4.715 1.113 0.000) 4.844 15.102 ( 1.328 0.826 0.000) 1.564 15.228 ( -6.131 1.287 0.000) 6.264 15.493 ( 2.962 -0.410 0.000) 2.990 15.811 ( -11.755 -3.537 0.000) 12.276 16.587 ( 2.379 0.168 0.000) 2.385 16.615 ( 0.058 0.206 0.000) 0.214 16.891 ( 8.658 0.490 0.000) 8.672 17.202 ( -5.912 -4.337 0.000) 7.332 17.737 ( 1.334 1.004 0.000) 1.669 17.787 ( 0.639 -3.259 0.000) 3.321 17.899 ( 8.008 -1.036 0.000) 8.075 17.969 ( 4.278 -0.340 0.000) 4.291 18.227 ( 3.420 8.626 0.000) 9.279 18.412 ( -6.357 2.204 0.000) 6.729 18.865 ( 0.149 -5.759 0.000) 5.760 18.892 ( -0.239 -1.936 0.000) 1.951 19.148 ( 2.123 -0.756 0.000) 2.253 19.159 ( 3.873 -1.896 0.000) 4.312 19.261 ( -2.091 1.104 0.000) 2.364 19.442 ( -6.720 -10.073 0.000) 12.109 19.794 ( 2.578 7.660 0.000) 8.082 19.942 ( -6.670 11.831 0.000) 13.582 20.547 ( 6.878 -8.728 0.000) 11.113 20.709 ( -1.135 -5.901 0.000) 6.009 20.864 ( 2.251 4.492 0.000) 5.024 20.981 ( -2.465 2.511 0.000) 3.519 21.085 ( 1.865 0.891 0.000) 2.066 21.292 ( -8.024 -4.809 0.000) 9.355 21.860 ( 4.518 3.258 0.000) 5.571 22.000 ( -2.211 0.592 0.000) 2.289 22.256 ( 2.107 1.192 0.000) 2.421 22.447 ( -6.605 -1.717 0.000) 6.825 ======================= Grid point 16 (12/72) ======================= q-point: (-0.50 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -0.282 4.464 0.000) 4.472 2.038 ( 0.282 4.464 0.000) 4.472 2.457 ( -7.163 -2.284 0.000) 7.518 2.457 ( 7.163 -2.284 0.000) 7.518 2.570 ( -4.360 -0.590 0.000) 4.399 2.570 ( 4.360 -0.590 0.000) 4.399 2.697 ( -0.833 -0.514 0.000) 0.979 2.697 ( 0.833 -0.514 0.000) 0.979 2.838 ( -5.546 4.801 0.000) 7.336 2.838 ( 5.546 4.801 0.000) 7.336 2.989 ( -6.129 -0.392 0.000) 6.142 2.989 ( 6.129 -0.392 0.000) 6.142 3.145 ( -5.569 -2.762 0.000) 6.216 3.145 ( 5.569 -2.762 0.000) 6.216 3.446 ( -2.614 0.534 0.000) 2.668 3.446 ( 2.614 0.534 0.000) 2.668 3.557 ( -1.837 1.962 0.000) 2.688 3.557 ( 1.837 1.962 0.000) 2.688 3.941 ( -3.010 -4.326 0.000) 5.271 3.941 ( 3.010 -4.326 0.000) 5.271 4.417 ( -4.407 0.066 0.000) 4.408 4.417 ( 4.407 0.066 0.000) 4.408 4.582 ( -17.391 -0.667 0.000) 17.404 4.582 ( 17.391 -0.667 0.000) 17.404 4.668 ( -1.648 3.782 0.000) 4.126 4.668 ( 1.648 3.782 0.000) 4.126 5.175 ( -2.486 -0.582 0.000) 2.554 5.175 ( 2.486 -0.582 0.000) 2.554 5.368 ( -1.656 0.806 0.000) 1.842 5.368 ( 1.656 0.806 0.000) 1.842 5.694 ( -5.701 0.807 0.000) 5.758 5.694 ( 5.701 0.807 0.000) 5.758 5.842 ( -3.718 4.314 0.000) 5.695 5.842 ( 3.718 4.314 0.000) 5.695 6.198 ( -1.392 0.792 0.000) 1.601 6.198 ( 1.392 0.792 0.000) 1.601 6.398 ( -2.310 -3.383 0.000) 4.097 6.398 ( 2.310 -3.383 0.000) 4.097 6.514 ( -0.778 -3.301 0.000) 3.392 6.514 ( 0.778 -3.301 0.000) 3.392 7.477 ( -2.451 3.028 0.000) 3.896 7.477 ( 2.451 3.028 0.000) 3.896 7.752 ( -0.990 2.220 0.000) 2.430 7.752 ( 0.990 2.220 0.000) 2.430 7.971 ( -3.516 -4.400 0.000) 5.632 7.971 ( 3.516 -4.400 0.000) 5.632 8.113 ( -1.833 -2.583 0.000) 3.167 8.113 ( 1.833 -2.583 0.000) 3.167 8.549 ( -6.139 2.001 0.000) 6.457 8.549 ( 6.139 2.001 0.000) 6.457 9.012 ( -1.262 -6.023 0.000) 6.154 9.012 ( 1.262 -6.023 0.000) 6.154 9.623 ( -2.018 5.022 0.000) 5.412 9.623 ( 2.018 5.022 0.000) 5.412 9.778 ( -3.980 2.765 0.000) 4.846 9.778 ( 3.980 2.765 0.000) 4.846 10.436 ( -1.952 -1.802 0.000) 2.656 10.436 ( 1.952 -1.802 0.000) 2.656 10.774 ( -1.419 -1.570 0.000) 2.117 10.774 ( 1.419 -1.570 0.000) 2.117 11.342 ( -0.819 4.385 0.000) 4.461 11.342 ( 0.819 4.385 0.000) 4.461 11.902 ( -1.802 -2.508 0.000) 3.088 11.902 ( 1.802 -2.508 0.000) 3.088 12.481 ( -3.827 0.702 0.000) 3.891 12.481 ( 3.827 0.702 0.000) 3.891 12.810 ( -7.624 -1.012 0.000) 7.691 12.810 ( 7.624 -1.012 0.000) 7.691 13.330 ( -4.729 5.285 0.000) 7.092 13.330 ( 4.729 5.285 0.000) 7.092 14.061 ( -4.187 -9.208 0.000) 10.115 14.061 ( 4.187 -9.208 0.000) 10.115 14.513 ( -2.077 3.470 0.000) 4.044 14.513 ( 2.077 3.470 0.000) 4.044 14.690 ( -4.108 2.872 0.000) 5.012 14.690 ( 4.108 2.872 0.000) 5.012 15.139 ( -2.972 1.824 0.000) 3.487 15.139 ( 2.972 1.824 0.000) 3.487 15.611 ( -8.689 -2.883 0.000) 9.155 15.611 ( 8.689 -2.883 0.000) 9.155 16.613 ( -0.575 0.743 0.000) 0.939 16.613 ( 0.575 0.743 0.000) 0.939 17.060 ( -8.428 -1.445 0.000) 8.551 17.060 ( 8.428 -1.445 0.000) 8.551 17.769 ( -1.854 -2.807 0.000) 3.365 17.769 ( 1.854 -2.807 0.000) 3.365 18.005 ( -1.696 -1.108 0.000) 2.026 18.005 ( 1.696 -1.108 0.000) 2.026 18.300 ( -4.862 6.633 0.000) 8.224 18.300 ( 4.862 6.633 0.000) 8.224 18.873 ( -1.108 -2.885 0.000) 3.091 18.873 ( 1.108 -2.885 0.000) 3.091 19.204 ( -2.556 -2.287 0.000) 3.429 19.204 ( 2.556 -2.287 0.000) 3.429 19.288 ( -7.797 -3.650 0.000) 8.609 19.288 ( 7.797 -3.650 0.000) 8.609 19.851 ( -3.435 9.709 0.000) 10.299 19.851 ( 3.435 9.709 0.000) 10.299 20.658 ( -4.315 -8.800 0.000) 9.801 20.658 ( 4.315 -8.800 0.000) 9.801 20.918 ( -3.378 4.703 0.000) 5.790 20.918 ( 3.378 4.703 0.000) 5.790 21.159 ( -5.500 -2.436 0.000) 6.015 21.159 ( 5.500 -2.436 0.000) 6.015 21.941 ( -3.766 2.521 0.000) 4.532 21.941 ( 3.766 2.521 0.000) 4.532 22.329 ( -5.261 -0.813 0.000) 5.324 22.329 ( 5.261 -0.813 0.000) 5.324 ======================= Grid point 22 (13/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.000 25.587 0.000) 25.587 1.120 ( 0.000 28.443 0.000) 28.443 1.811 ( 0.000 -1.855 0.000) 1.855 1.983 ( 0.000 19.492 0.000) 19.492 2.107 ( 0.000 -10.395 0.000) 10.395 2.434 ( 0.000 9.947 0.000) 9.947 2.626 ( 0.000 5.240 0.000) 5.240 2.711 ( 0.000 0.257 0.000) 0.257 2.824 ( 0.000 -4.167 0.000) 4.167 2.959 ( 0.000 3.743 0.000) 3.743 3.004 ( 0.000 -2.286 0.000) 2.286 3.118 ( 0.000 -4.322 0.000) 4.322 3.121 ( 0.000 -6.447 0.000) 6.447 3.382 ( 0.000 -4.211 0.000) 4.211 3.476 ( 0.000 -0.303 0.000) 0.303 3.482 ( 0.000 -0.037 0.000) 0.037 3.618 ( 0.000 10.331 0.000) 10.331 3.675 ( 0.000 -10.940 0.000) 10.940 3.816 ( 0.000 -8.660 0.000) 8.660 4.030 ( 0.000 4.751 0.000) 4.751 4.121 ( 0.000 -16.151 0.000) 16.151 4.211 ( 0.000 -3.618 0.000) 3.618 4.590 ( 0.000 2.354 0.000) 2.354 4.643 ( 0.000 -0.761 0.000) 0.761 4.852 ( 0.000 1.063 0.000) 1.063 5.043 ( 0.000 -3.529 0.000) 3.529 5.212 ( 0.000 12.905 0.000) 12.905 5.374 ( 0.000 3.787 0.000) 3.787 5.451 ( 0.000 4.771 0.000) 4.771 5.519 ( 0.000 1.056 0.000) 1.056 5.556 ( 0.000 -0.216 0.000) 0.216 5.686 ( 0.000 5.179 0.000) 5.179 5.698 ( 0.000 -8.469 0.000) 8.469 5.918 ( 0.000 -3.846 0.000) 3.846 5.941 ( 0.000 6.228 0.000) 6.228 6.098 ( 0.000 -4.528 0.000) 4.528 6.259 ( 0.000 -2.179 0.000) 2.179 6.259 ( 0.000 3.837 0.000) 3.837 6.321 ( 0.000 -3.393 0.000) 3.393 6.477 ( 0.000 -4.633 0.000) 4.633 7.478 ( 0.000 4.658 0.000) 4.658 7.535 ( 0.000 -0.268 0.000) 0.268 7.811 ( 0.000 1.419 0.000) 1.419 7.975 ( 0.000 3.131 0.000) 3.131 7.980 ( 0.000 -1.987 0.000) 1.987 8.132 ( 0.000 -3.873 0.000) 3.873 8.219 ( 0.000 3.507 0.000) 3.507 8.411 ( 0.000 -6.537 0.000) 6.537 8.612 ( 0.000 3.816 0.000) 3.816 8.944 ( 0.000 -9.380 0.000) 9.380 9.152 ( 0.000 2.669 0.000) 2.669 9.204 ( 0.000 -1.041 0.000) 1.041 9.628 ( 0.000 0.518 0.000) 0.518 9.676 ( 0.000 -1.359 0.000) 1.359 9.741 ( 0.000 -0.263 0.000) 0.263 9.781 ( 0.000 -1.367 0.000) 1.367 10.105 ( 0.000 1.397 0.000) 1.397 10.198 ( 0.000 -1.954 0.000) 1.954 10.311 ( 0.000 1.635 0.000) 1.635 10.346 ( 0.000 -0.484 0.000) 0.484 11.013 ( 0.000 5.071 0.000) 5.071 11.100 ( 0.000 8.836 0.000) 8.836 11.200 ( 0.000 -5.395 0.000) 5.395 11.452 ( 0.000 -7.612 0.000) 7.612 12.176 ( 0.000 3.455 0.000) 3.455 12.336 ( 0.000 -3.673 0.000) 3.673 12.825 ( 0.000 0.745 0.000) 0.745 12.881 ( 0.000 -2.113 0.000) 2.113 13.229 ( 0.000 8.168 0.000) 8.168 13.508 ( 0.000 -5.323 0.000) 5.323 14.151 ( 0.000 2.691 0.000) 2.691 14.325 ( 0.000 8.543 0.000) 8.543 14.349 ( 0.000 -6.763 0.000) 6.763 14.615 ( 0.000 -6.210 0.000) 6.210 15.056 ( 0.000 4.114 0.000) 4.114 15.175 ( 0.000 -1.639 0.000) 1.639 15.233 ( 0.000 4.721 0.000) 4.721 15.376 ( 0.000 -2.587 0.000) 2.587 16.009 ( 0.000 5.460 0.000) 5.460 16.190 ( 0.000 -1.631 0.000) 1.631 16.416 ( 0.000 -1.723 0.000) 1.723 16.474 ( 0.000 -3.806 0.000) 3.806 16.751 ( 0.000 -0.827 0.000) 0.827 16.897 ( 0.000 -5.474 0.000) 5.474 17.360 ( 0.000 5.180 0.000) 5.180 17.387 ( 0.000 2.036 0.000) 2.036 17.689 ( 0.000 -1.266 0.000) 1.266 17.793 ( 0.000 -7.013 0.000) 7.013 18.143 ( 0.000 5.911 0.000) 5.911 18.428 ( 0.000 -8.103 0.000) 8.103 18.735 ( 0.000 7.638 0.000) 7.638 18.888 ( 0.000 2.933 0.000) 2.933 19.206 ( 0.000 -0.859 0.000) 0.859 19.231 ( 0.000 -3.145 0.000) 3.145 19.343 ( 0.000 1.874 0.000) 1.874 19.401 ( 0.000 -1.157 0.000) 1.157 19.802 ( 0.000 5.530 0.000) 5.530 20.047 ( 0.000 -5.863 0.000) 5.863 20.489 ( 0.000 4.354 0.000) 4.354 20.728 ( 0.000 -6.977 0.000) 6.977 20.881 ( 0.000 9.891 0.000) 9.891 21.115 ( 0.000 -2.197 0.000) 2.197 21.446 ( 0.000 1.488 0.000) 1.488 21.508 ( 0.000 -1.533 0.000) 1.533 21.767 ( 0.000 3.092 0.000) 3.092 21.904 ( 0.000 -3.689 0.000) 3.689 22.429 ( 0.000 3.428 0.000) 3.428 22.599 ( 0.000 -4.999 0.000) 4.999 ======================= Grid point 23 (14/72) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 8.925 23.107 0.000) 24.770 1.221 ( 11.552 24.629 0.000) 27.204 1.875 ( 5.176 -12.894 0.000) 13.895 2.083 ( 6.369 -6.645 0.000) 9.205 2.225 ( 14.260 18.027 0.000) 22.985 2.505 ( 5.033 6.910 0.000) 8.549 2.628 ( 1.506 7.211 0.000) 7.366 2.759 ( 4.458 0.179 0.000) 4.461 2.858 ( 3.404 -4.205 0.000) 5.410 2.926 ( -2.628 1.402 0.000) 2.979 2.978 ( -2.415 -2.623 0.000) 3.565 3.110 ( -0.139 -3.270 0.000) 3.273 3.161 ( 3.124 -2.311 0.000) 3.886 3.350 ( -3.004 -2.981 0.000) 4.232 3.445 ( -1.377 -2.398 0.000) 2.765 3.500 ( 0.451 1.800 0.000) 1.856 3.600 ( -1.022 3.995 0.000) 4.124 3.690 ( 0.387 -1.150 0.000) 1.214 3.822 ( 0.605 -8.941 0.000) 8.961 3.993 ( -3.503 2.337 0.000) 4.211 4.083 ( -6.556 -6.518 0.000) 9.245 4.192 ( 1.550 -12.514 0.000) 12.610 4.601 ( -1.091 3.543 0.000) 3.707 4.619 ( -0.823 -0.215 0.000) 0.850 4.841 ( -1.134 1.072 0.000) 1.560 5.042 ( 0.812 -2.869 0.000) 2.982 5.210 ( -1.500 9.278 0.000) 9.399 5.345 ( -4.165 3.238 0.000) 5.275 5.448 ( -0.497 4.882 0.000) 4.907 5.501 ( -0.096 2.821 0.000) 2.822 5.531 ( -2.693 3.925 0.000) 4.760 5.689 ( 4.237 3.883 0.000) 5.747 5.758 ( 5.251 -4.414 0.000) 6.860 5.922 ( 2.814 -2.113 0.000) 3.519 6.010 ( 2.614 1.769 0.000) 3.156 6.137 ( 1.093 -3.191 0.000) 3.373 6.230 ( -1.468 -0.907 0.000) 1.725 6.250 ( -0.216 2.244 0.000) 2.255 6.347 ( 1.494 -6.068 0.000) 6.249 6.459 ( -1.345 -6.130 0.000) 6.276 7.439 ( -2.367 4.154 0.000) 4.781 7.559 ( 1.057 -1.406 0.000) 1.759 7.794 ( -1.480 2.809 0.000) 3.175 7.933 ( -2.179 0.305 0.000) 2.200 8.010 ( 0.848 0.816 0.000) 1.177 8.145 ( 1.262 -3.968 0.000) 4.164 8.191 ( -2.257 4.511 0.000) 5.044 8.416 ( -0.963 -8.775 0.000) 8.828 8.584 ( -1.580 5.628 0.000) 5.845 8.900 ( -5.246 -8.465 0.000) 9.959 9.011 ( -8.961 3.314 0.000) 9.554 9.169 ( -4.810 -5.096 0.000) 7.007 9.548 ( -1.060 1.988 0.000) 2.253 9.664 ( -0.015 -3.612 0.000) 3.613 9.842 ( 6.250 2.819 0.000) 6.856 9.881 ( 2.886 0.905 0.000) 3.025 10.157 ( 4.641 1.311 0.000) 4.822 10.243 ( 0.421 1.374 0.000) 1.438 10.321 ( 5.802 -2.239 0.000) 6.219 10.405 ( 4.843 -3.192 0.000) 5.800 11.081 ( 6.455 5.929 0.000) 8.764 11.100 ( 3.465 7.755 0.000) 8.494 11.388 ( 13.397 -5.887 0.000) 14.633 11.513 ( 6.299 -6.930 0.000) 9.365 12.179 ( 0.576 2.945 0.000) 3.001 12.329 ( -0.393 -3.733 0.000) 3.753 12.839 ( 1.046 0.636 0.000) 1.224 12.876 ( -0.493 -1.241 0.000) 1.336 13.251 ( 2.331 9.621 0.000) 9.900 13.542 ( 3.019 -5.049 0.000) 5.882 14.044 ( -9.570 1.192 0.000) 9.644 14.151 ( -10.870 -2.475 0.000) 11.148 14.438 ( 2.764 2.504 0.000) 3.730 14.602 ( 0.020 -3.495 0.000) 3.495 14.980 ( -5.763 6.465 0.000) 8.660 15.102 ( -5.697 0.054 0.000) 5.698 15.251 ( -0.637 1.371 0.000) 1.512 15.355 ( -1.941 -2.670 0.000) 3.301 15.952 ( -5.969 7.010 0.000) 9.207 16.204 ( 0.988 -3.136 0.000) 3.288 16.390 ( 1.633 -0.614 0.000) 1.745 16.490 ( -2.408 -3.740 0.000) 4.448 16.775 ( 1.965 -0.669 0.000) 2.075 16.941 ( 3.146 -7.571 0.000) 8.198 17.397 ( 4.106 2.036 0.000) 4.583 17.460 ( 6.755 0.958 0.000) 6.822 17.717 ( 3.434 0.915 0.000) 3.554 17.868 ( 5.462 -5.496 0.000) 7.748 18.174 ( 2.718 6.188 0.000) 6.758 18.461 ( 3.296 -8.819 0.000) 9.414 18.722 ( -1.528 6.765 0.000) 6.935 18.875 ( -1.195 1.387 0.000) 1.831 19.145 ( -4.871 -0.183 0.000) 4.874 19.229 ( 0.559 -3.932 0.000) 3.971 19.288 ( -3.978 2.837 0.000) 4.886 19.420 ( -0.209 -4.117 0.000) 4.122 19.841 ( 3.435 6.502 0.000) 7.354 20.075 ( 2.888 -4.715 0.000) 5.529 20.464 ( -2.513 4.312 0.000) 4.991 20.711 ( -1.618 -6.967 0.000) 7.152 20.878 ( -0.275 9.606 0.000) 9.610 21.089 ( -1.849 -0.119 0.000) 1.853 21.368 ( -6.426 3.621 0.000) 7.376 21.510 ( -1.180 -4.949 0.000) 5.088 21.779 ( 0.813 2.557 0.000) 2.684 21.903 ( 0.466 -3.561 0.000) 3.591 22.407 ( -1.360 5.626 0.000) 5.788 22.622 ( 0.715 -6.348 0.000) 6.388 ======================= Grid point 24 (15/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 16.647 14.589 0.000) 22.136 1.519 ( 17.530 16.281 0.000) 23.924 1.991 ( 6.769 -13.050 0.000) 14.701 2.179 ( 4.051 -15.233 0.000) 15.762 2.496 ( 1.080 8.545 0.000) 8.613 2.537 ( 6.728 4.006 0.000) 7.830 2.764 ( 8.877 9.480 0.000) 12.987 2.821 ( 1.104 -0.525 0.000) 1.222 2.908 ( -1.353 0.155 0.000) 1.362 2.926 ( 4.786 -0.755 0.000) 4.845 2.969 ( 5.431 -4.208 0.000) 6.871 3.111 ( -1.089 1.601 0.000) 1.936 3.222 ( 2.205 -0.965 0.000) 2.407 3.293 ( -0.737 2.017 0.000) 2.147 3.428 ( -0.803 -3.674 0.000) 3.761 3.497 ( -0.570 4.019 0.000) 4.060 3.575 ( -2.368 1.894 0.000) 3.032 3.673 ( -1.423 5.128 0.000) 5.321 3.820 ( -2.108 -6.151 0.000) 6.502 3.925 ( -5.059 0.750 0.000) 5.114 3.939 ( -3.158 -3.524 0.000) 4.732 4.250 ( 3.646 -14.778 0.000) 15.221 4.520 ( -4.957 5.110 0.000) 7.119 4.639 ( 1.378 -0.307 0.000) 1.412 4.809 ( -2.048 1.903 0.000) 2.796 5.069 ( 0.277 -0.680 0.000) 0.734 5.143 ( -3.792 4.106 0.000) 5.589 5.261 ( -3.059 0.537 0.000) 3.106 5.439 ( -0.715 3.727 0.000) 3.795 5.466 ( -1.635 6.404 0.000) 6.609 5.555 ( 2.871 5.334 0.000) 6.058 5.794 ( 4.697 4.027 0.000) 6.187 5.860 ( 4.276 1.405 0.000) 4.501 5.961 ( -1.238 -1.704 0.000) 2.106 6.066 ( 5.126 -2.198 0.000) 5.577 6.147 ( 1.971 -5.357 0.000) 5.708 6.198 ( -0.950 2.221 0.000) 2.416 6.257 ( 0.251 -0.978 0.000) 1.009 6.363 ( 0.116 -6.571 0.000) 6.572 6.442 ( -0.522 -6.518 0.000) 6.539 7.413 ( -0.110 3.803 0.000) 3.805 7.570 ( 0.529 -2.949 0.000) 2.996 7.763 ( -1.578 4.739 0.000) 4.995 7.896 ( -1.669 -0.365 0.000) 1.708 8.000 ( -2.027 0.842 0.000) 2.195 8.140 ( -2.970 6.239 0.000) 6.910 8.169 ( 0.190 -6.125 0.000) 6.128 8.363 ( -3.274 -5.083 0.000) 6.046 8.549 ( -3.816 2.769 0.000) 4.714 8.768 ( -5.790 -3.847 0.000) 6.952 8.890 ( -3.787 -1.764 0.000) 4.177 9.065 ( -5.256 -7.698 0.000) 9.321 9.580 ( 3.159 2.132 0.000) 3.812 9.683 ( 1.520 -2.046 0.000) 2.548 9.863 ( -1.364 4.371 0.000) 4.579 9.937 ( 1.193 2.460 0.000) 2.734 10.220 ( 2.435 2.496 0.000) 3.487 10.292 ( 4.379 0.834 0.000) 4.457 10.447 ( 6.742 -2.269 0.000) 7.113 10.527 ( 6.742 -5.560 0.000) 8.739 11.211 ( 6.987 6.895 0.000) 9.816 11.240 ( 8.858 7.309 0.000) 11.484 11.598 ( 8.141 -3.778 0.000) 8.975 11.685 ( 9.737 -6.763 0.000) 11.856 12.210 ( 2.955 1.952 0.000) 3.541 12.337 ( 1.677 -3.948 0.000) 4.289 12.839 ( -1.595 1.832 0.000) 2.429 12.879 ( 1.413 0.208 0.000) 1.428 13.314 ( 3.904 10.113 0.000) 10.840 13.593 ( 1.265 -1.339 0.000) 1.842 13.822 ( -12.113 -1.480 0.000) 12.203 13.990 ( -4.272 -9.486 0.000) 10.403 14.478 ( 2.101 3.921 0.000) 4.449 14.618 ( 0.871 -2.053 0.000) 2.230 14.866 ( -5.799 6.098 0.000) 8.415 14.984 ( -5.925 -0.400 0.000) 5.939 15.196 ( -4.218 2.264 0.000) 4.787 15.314 ( -2.332 -3.558 0.000) 4.254 15.811 ( -8.223 8.928 0.000) 12.138 16.152 ( -7.741 -8.021 0.000) 11.147 16.444 ( 2.293 0.100 0.000) 2.295 16.474 ( 3.581 -1.552 0.000) 3.903 16.795 ( 0.642 2.991 0.000) 3.059 17.023 ( 5.174 -9.193 0.000) 10.549 17.501 ( 6.496 1.412 0.000) 6.648 17.602 ( 6.612 -3.166 0.000) 7.331 17.810 ( 5.748 4.134 0.000) 7.080 17.936 ( 0.677 0.055 0.000) 0.679 18.232 ( 3.417 7.338 0.000) 8.095 18.528 ( 2.441 -7.856 0.000) 8.226 18.682 ( -1.934 1.315 0.000) 2.339 18.843 ( -2.077 -3.165 0.000) 3.786 19.081 ( -1.349 0.897 0.000) 1.620 19.221 ( -2.393 3.062 0.000) 3.887 19.255 ( 1.891 -4.678 0.000) 5.046 19.390 ( -2.178 -6.061 0.000) 6.440 19.896 ( 1.692 8.145 0.000) 8.319 20.156 ( 5.275 -5.171 0.000) 7.387 20.395 ( -4.561 5.996 0.000) 7.533 20.672 ( -2.271 -6.786 0.000) 7.156 20.878 ( 0.493 7.993 0.000) 8.009 21.064 ( -0.791 1.365 0.000) 1.577 21.238 ( -6.326 3.789 0.000) 7.374 21.447 ( -5.291 -7.335 0.000) 9.044 21.799 ( 1.726 3.315 0.000) 3.737 21.930 ( 2.095 -3.625 0.000) 4.187 22.380 ( -1.776 6.212 0.000) 6.460 22.597 ( -3.216 -5.561 0.000) 6.424 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 20.342 5.426 0.000) 21.054 1.848 ( 15.583 9.209 0.000) 18.101 2.120 ( 5.282 -7.308 0.000) 9.017 2.247 ( 3.277 -6.904 0.000) 7.642 2.451 ( -0.751 0.574 0.000) 0.945 2.606 ( -0.715 -4.491 0.000) 4.548 2.806 ( 1.619 0.975 0.000) 1.890 2.839 ( -2.843 0.886 0.000) 2.978 2.950 ( 3.872 2.264 0.000) 4.486 2.982 ( -2.572 0.650 0.000) 2.652 3.041 ( -2.406 1.774 0.000) 2.989 3.099 ( 2.794 -1.278 0.000) 3.072 3.203 ( -2.820 -2.283 0.000) 3.629 3.267 ( -5.697 -4.370 0.000) 7.180 3.445 ( -1.102 4.857 0.000) 4.980 3.485 ( -4.488 6.183 0.000) 7.640 3.565 ( 10.559 6.591 0.000) 12.447 3.673 ( -0.595 -1.916 0.000) 2.006 3.746 ( -2.279 -0.960 0.000) 2.473 3.852 ( -1.450 -2.493 0.000) 2.884 3.976 ( 5.930 3.262 0.000) 6.768 4.315 ( 2.633 -9.740 0.000) 10.089 4.460 ( -0.427 3.578 0.000) 3.603 4.668 ( 1.486 -4.103 0.000) 4.364 4.774 ( -1.255 4.537 0.000) 4.707 4.991 ( -6.556 8.777 0.000) 10.955 5.114 ( -0.799 -5.061 0.000) 5.124 5.233 ( -1.131 -4.141 0.000) 4.293 5.417 ( -0.660 6.949 0.000) 6.980 5.471 ( 1.683 3.446 0.000) 3.835 5.586 ( -0.388 4.437 0.000) 4.454 5.814 ( -2.554 -0.538 0.000) 2.610 5.906 ( 0.669 6.830 0.000) 6.862 5.950 ( 1.661 1.567 0.000) 2.284 6.131 ( 1.919 -4.114 0.000) 4.539 6.221 ( 3.799 -0.455 0.000) 3.826 6.247 ( 3.573 -3.759 0.000) 5.187 6.263 ( 2.314 -1.375 0.000) 2.692 6.362 ( 0.251 -6.013 0.000) 6.018 6.430 ( -0.647 -5.255 0.000) 5.294 7.434 ( 2.177 3.956 0.000) 4.515 7.597 ( 2.417 -1.664 0.000) 2.935 7.735 ( -1.368 4.321 0.000) 4.532 7.868 ( -1.327 -1.017 0.000) 1.672 7.936 ( -4.212 0.714 0.000) 4.272 8.058 ( -5.497 5.136 0.000) 7.523 8.136 ( -3.363 -7.541 0.000) 8.257 8.294 ( -6.088 -5.347 0.000) 8.103 8.460 ( -1.516 5.853 0.000) 6.046 8.712 ( -1.263 -2.700 0.000) 2.981 8.849 ( -0.808 -4.839 0.000) 4.906 8.980 ( -3.417 -7.185 0.000) 7.956 9.648 ( 3.672 2.570 0.000) 4.482 9.705 ( 0.763 1.807 0.000) 1.961 9.837 ( -1.518 4.671 0.000) 4.911 9.923 ( -1.683 2.758 0.000) 3.232 10.280 ( 3.515 1.004 0.000) 3.656 10.364 ( 2.892 -1.981 0.000) 3.506 10.579 ( 6.557 -1.551 0.000) 6.738 10.642 ( 5.104 -4.495 0.000) 6.801 11.335 ( 5.489 7.065 0.000) 8.946 11.385 ( 5.520 6.880 0.000) 8.821 11.725 ( 5.086 -2.761 0.000) 5.787 11.820 ( 3.929 -5.503 0.000) 6.762 12.297 ( 5.734 1.558 0.000) 5.942 12.400 ( 4.609 -3.428 0.000) 5.744 12.792 ( -2.878 3.786 0.000) 4.756 12.913 ( 1.321 -1.604 0.000) 2.078 13.373 ( 1.075 7.881 0.000) 7.954 13.542 ( -4.459 9.012 0.000) 10.055 13.711 ( 1.225 -9.017 0.000) 9.100 13.953 ( -0.931 -11.870 0.000) 11.907 14.520 ( 1.905 2.787 0.000) 3.376 14.616 ( -1.229 -0.604 0.000) 1.369 14.776 ( -2.947 5.356 0.000) 6.113 14.885 ( -4.542 -0.196 0.000) 4.546 15.127 ( -2.063 2.620 0.000) 3.334 15.265 ( -2.460 -4.113 0.000) 4.792 15.646 ( -8.481 7.933 0.000) 11.613 15.947 ( -11.975 -7.032 0.000) 13.887 16.516 ( 4.420 -0.054 0.000) 4.420 16.551 ( 3.729 -2.651 0.000) 4.575 16.832 ( 3.355 5.503 0.000) 6.445 17.102 ( 2.193 -8.735 0.000) 9.006 17.645 ( 8.332 -0.406 0.000) 8.342 17.696 ( 3.365 -3.932 0.000) 5.175 17.899 ( -3.512 5.496 0.000) 6.522 17.924 ( 5.365 3.915 0.000) 6.642 18.310 ( 4.396 7.915 0.000) 9.054 18.525 ( -2.223 0.291 0.000) 2.242 18.673 ( 0.805 -8.815 0.000) 8.851 18.810 ( -0.961 -7.285 0.000) 7.348 19.077 ( 0.654 1.864 0.000) 1.975 19.196 ( -0.435 1.889 0.000) 1.939 19.289 ( 1.295 -2.962 0.000) 3.233 19.349 ( -2.268 -5.343 0.000) 5.805 19.919 ( 1.351 9.580 0.000) 9.675 20.247 ( 1.473 -4.098 0.000) 4.355 20.304 ( -2.328 5.551 0.000) 6.019 20.626 ( -2.577 -7.290 0.000) 7.732 20.898 ( 1.509 5.544 0.000) 5.746 21.053 ( -0.478 1.819 0.000) 1.881 21.139 ( -3.823 2.142 0.000) 4.382 21.320 ( -7.344 -7.376 0.000) 10.409 21.852 ( 3.616 3.942 0.000) 5.349 21.973 ( 2.182 -2.644 0.000) 3.428 22.334 ( -2.779 4.992 0.000) 5.714 22.511 ( -5.353 -4.138 0.000) 6.765 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 7.853 5.087 0.000) 9.356 2.122 ( 12.509 0.883 0.000) 12.540 2.155 ( 5.241 3.030 0.000) 6.054 2.327 ( 4.707 -4.926 0.000) 6.814 2.498 ( 4.299 -0.957 0.000) 4.404 2.613 ( 2.535 -5.572 0.000) 6.122 2.756 ( -7.745 2.351 0.000) 8.094 2.794 ( -3.095 1.700 0.000) 3.531 2.883 ( -1.309 1.024 0.000) 1.662 2.949 ( -9.146 0.111 0.000) 9.147 3.005 ( 1.250 3.095 0.000) 3.338 3.072 ( -2.407 -0.798 0.000) 2.536 3.136 ( -6.609 -0.357 0.000) 6.619 3.193 ( 1.050 -3.469 0.000) 3.625 3.382 ( -3.949 3.432 0.000) 5.232 3.464 ( 1.740 2.785 0.000) 3.284 3.602 ( -3.486 -1.763 0.000) 3.907 3.681 ( -0.638 5.476 0.000) 5.513 3.794 ( 4.273 -4.526 0.000) 6.224 3.845 ( 0.267 -4.967 0.000) 4.974 4.195 ( 14.502 2.757 0.000) 14.762 4.373 ( 4.509 -2.837 0.000) 5.327 4.472 ( 0.052 1.485 0.000) 1.486 4.673 ( -1.977 -6.585 0.000) 6.875 4.768 ( 0.637 7.617 0.000) 7.643 4.870 ( -5.110 8.484 0.000) 9.904 5.095 ( -0.664 -3.849 0.000) 3.906 5.186 ( -3.637 -5.230 0.000) 6.371 5.412 ( 0.388 5.789 0.000) 5.802 5.504 ( -1.501 6.098 0.000) 6.281 5.573 ( 2.569 -0.962 0.000) 2.743 5.745 ( -3.922 -4.174 0.000) 5.728 5.931 ( 1.756 5.670 0.000) 5.936 5.971 ( 0.190 7.391 0.000) 7.394 6.175 ( 2.671 -0.903 0.000) 2.819 6.248 ( -0.692 1.824 0.000) 1.951 6.290 ( 2.566 -3.370 0.000) 4.235 6.321 ( 0.741 -4.142 0.000) 4.208 6.396 ( 2.793 -6.764 0.000) 7.318 6.425 ( 0.247 -4.770 0.000) 4.777 7.491 ( 3.572 4.973 0.000) 6.123 7.628 ( -1.144 5.526 0.000) 5.643 7.736 ( 2.948 -2.034 0.000) 3.581 7.839 ( -1.670 1.103 0.000) 2.002 7.856 ( -3.582 -1.121 0.000) 3.754 7.956 ( -4.355 -0.548 0.000) 4.390 8.066 ( -3.179 -5.640 0.000) 6.474 8.140 ( -7.740 -4.946 0.000) 9.185 8.509 ( 4.788 5.623 0.000) 7.385 8.680 ( -2.552 1.090 0.000) 2.775 8.852 ( 1.059 -6.970 0.000) 7.050 8.927 ( -2.332 -6.626 0.000) 7.024 9.700 ( 1.451 4.173 0.000) 4.418 9.740 ( 3.107 3.738 0.000) 4.861 9.796 ( -2.305 4.873 0.000) 5.390 9.886 ( -2.342 1.979 0.000) 3.067 10.346 ( 3.115 -1.102 0.000) 3.304 10.400 ( 0.743 -2.970 0.000) 3.062 10.685 ( 4.176 -1.620 0.000) 4.479 10.718 ( 2.529 -3.227 0.000) 4.100 11.417 ( 2.951 6.974 0.000) 7.572 11.449 ( 1.457 6.643 0.000) 6.801 11.798 ( 2.651 -3.442 0.000) 4.345 11.852 ( -0.051 -4.860 0.000) 4.861 12.411 ( 5.631 1.640 0.000) 5.865 12.488 ( 3.452 -1.964 0.000) 3.972 12.748 ( -0.840 3.014 0.000) 3.129 12.888 ( -4.234 -3.717 0.000) 5.634 13.387 ( 2.625 9.279 0.000) 9.643 13.513 ( -0.737 9.026 0.000) 9.056 13.776 ( 4.561 -10.423 0.000) 11.378 13.925 ( -2.227 -11.475 0.000) 11.689 14.546 ( 0.966 2.290 0.000) 2.486 14.591 ( -0.780 1.267 0.000) 1.488 14.744 ( -1.064 4.306 0.000) 4.435 14.798 ( -4.167 0.909 0.000) 4.265 15.129 ( 1.824 2.145 0.000) 2.816 15.231 ( -1.298 -1.525 0.000) 2.003 15.515 ( -3.729 3.294 0.000) 4.975 15.722 ( -10.928 -5.744 0.000) 12.345 16.590 ( 3.066 0.259 0.000) 3.077 16.612 ( 2.280 -0.568 0.000) 2.350 16.917 ( 5.162 2.517 0.000) 5.743 17.096 ( -2.588 -6.307 0.000) 6.817 17.735 ( 1.560 -1.168 0.000) 1.949 17.810 ( 3.873 2.825 0.000) 4.794 17.836 ( 1.153 -0.793 0.000) 1.400 17.992 ( 1.136 -0.010 0.000) 1.136 18.383 ( 2.977 7.632 0.000) 8.192 18.476 ( -2.432 5.334 0.000) 5.863 18.705 ( 2.505 -10.312 0.000) 10.612 18.797 ( -0.992 -8.339 0.000) 8.398 19.111 ( 2.967 1.430 0.000) 3.294 19.203 ( 1.348 1.196 0.000) 1.802 19.279 ( -3.470 0.390 0.000) 3.492 19.301 ( -1.930 -4.286 0.000) 4.701 19.964 ( 3.476 10.199 0.000) 10.775 20.158 ( -6.087 11.054 0.000) 12.620 20.372 ( 5.187 -9.733 0.000) 11.029 20.566 ( -3.824 -9.113 0.000) 9.883 20.935 ( 2.311 3.680 0.000) 4.345 21.035 ( -1.720 2.227 0.000) 2.814 21.093 ( -0.738 0.001 0.000) 0.738 21.187 ( -5.835 -5.509 0.000) 8.024 21.929 ( 4.076 3.741 0.000) 5.533 22.007 ( 0.949 -0.161 0.000) 0.963 22.289 ( -1.211 2.367 0.000) 2.659 22.402 ( -5.624 -2.950 0.000) 6.351 ======================= Grid point 27 (18/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -0.564 5.246 0.000) 5.276 2.135 ( 0.564 5.246 0.000) 5.276 2.400 ( -3.615 -3.519 0.000) 5.045 2.400 ( 3.615 -3.519 0.000) 5.045 2.571 ( -4.955 0.713 0.000) 5.006 2.571 ( 4.955 0.713 0.000) 5.006 2.687 ( -3.872 -0.778 0.000) 3.950 2.687 ( 3.872 -0.778 0.000) 3.950 2.907 ( -5.346 2.419 0.000) 5.868 2.907 ( 5.346 2.419 0.000) 5.868 2.975 ( -6.590 -0.975 0.000) 6.661 2.975 ( 6.590 -0.975 0.000) 6.661 3.146 ( -5.418 2.687 0.000) 6.048 3.146 ( 5.418 2.687 0.000) 6.048 3.413 ( -5.295 -3.215 0.000) 6.194 3.413 ( 5.295 -3.215 0.000) 6.194 3.624 ( -3.959 4.424 0.000) 5.937 3.624 ( 3.959 4.424 0.000) 5.937 3.844 ( -0.935 -5.575 0.000) 5.653 3.844 ( 0.935 -5.575 0.000) 5.653 4.393 ( -5.427 -1.975 0.000) 5.775 4.393 ( 5.427 -1.975 0.000) 5.775 4.557 ( -9.501 -1.109 0.000) 9.566 4.557 ( 9.501 -1.109 0.000) 9.566 4.799 ( -2.589 8.576 0.000) 8.958 4.799 ( 2.589 8.576 0.000) 8.958 5.115 ( -2.899 -5.169 0.000) 5.926 5.115 ( 2.899 -5.169 0.000) 5.926 5.444 ( -2.895 6.367 0.000) 6.994 5.444 ( 2.895 6.367 0.000) 6.994 5.661 ( -4.865 -3.758 0.000) 6.148 5.661 ( 4.865 -3.759 0.000) 6.148 5.961 ( -1.152 6.724 0.000) 6.822 5.961 ( 1.152 6.724 0.000) 6.822 6.223 ( -1.989 1.829 0.000) 2.702 6.223 ( 1.989 1.829 0.000) 2.702 6.318 ( -0.724 -4.197 0.000) 4.259 6.318 ( 0.724 -4.197 0.000) 4.259 6.429 ( -0.437 -5.633 0.000) 5.650 6.429 ( 0.437 -5.633 0.000) 5.650 7.566 ( -4.064 6.384 0.000) 7.568 7.566 ( 4.064 6.384 0.000) 7.568 7.796 ( -1.936 1.052 0.000) 2.203 7.796 ( 1.936 1.052 0.000) 2.203 7.870 ( -4.709 -4.801 0.000) 6.724 7.870 ( 4.709 -4.801 0.000) 6.724 8.045 ( -1.697 -4.345 0.000) 4.665 8.045 ( 1.697 -4.345 0.000) 4.665 8.607 ( -4.826 4.074 0.000) 6.315 8.607 ( 4.826 4.074 0.000) 6.315 8.884 ( -2.078 -6.908 0.000) 7.214 8.884 ( 2.078 -6.908 0.000) 7.214 9.733 ( -2.163 5.998 0.000) 6.376 9.733 ( 2.163 5.998 0.000) 6.376 9.827 ( -3.685 1.736 0.000) 4.073 9.827 ( 3.685 1.736 0.000) 4.073 10.392 ( -1.499 -2.470 0.000) 2.889 10.392 ( 1.499 -2.470 0.000) 2.889 10.735 ( -0.851 -2.221 0.000) 2.378 10.735 ( 0.851 -2.221 0.000) 2.378 11.453 ( -0.898 6.701 0.000) 6.761 11.453 ( 0.898 6.701 0.000) 6.761 11.835 ( -1.405 -4.292 0.000) 4.517 11.835 ( 1.405 -4.292 0.000) 4.517 12.496 ( -2.634 0.801 0.000) 2.753 12.496 ( 2.634 0.801 0.000) 2.753 12.788 ( -4.740 -1.099 0.000) 4.865 12.788 ( 4.740 -1.099 0.000) 4.865 13.465 ( -4.141 8.862 0.000) 9.782 13.465 ( 4.141 8.862 0.000) 9.782 13.864 ( -4.086 -11.275 0.000) 11.992 13.864 ( 4.086 -11.275 0.000) 11.992 14.571 ( -1.566 2.457 0.000) 2.913 14.571 ( 1.566 2.457 0.000) 2.913 14.742 ( -1.438 2.168 0.000) 2.602 14.742 ( 1.438 2.168 0.000) 2.602 15.184 ( -3.463 2.659 0.000) 4.366 15.184 ( 3.463 2.659 0.000) 4.366 15.546 ( -6.515 -3.527 0.000) 7.408 15.546 ( 6.515 -3.527 0.000) 7.408 16.628 ( -0.694 0.753 0.000) 1.024 16.628 ( 0.694 0.753 0.000) 1.024 17.019 ( -5.026 -2.489 0.000) 5.609 17.019 ( 5.026 -2.489 0.000) 5.609 17.768 ( -2.208 2.854 0.000) 3.609 17.768 ( 2.208 2.854 0.000) 3.609 17.956 ( -4.804 -4.020 0.000) 6.264 17.956 ( 4.804 -4.020 0.000) 6.264 18.432 ( -2.296 7.002 0.000) 7.369 18.432 ( 2.296 7.002 0.000) 7.369 18.760 ( -2.745 -8.419 0.000) 8.855 18.760 ( 2.745 -8.419 0.000) 8.855 19.188 ( -4.664 1.043 0.000) 4.779 19.188 ( 4.664 1.043 0.000) 4.779 19.253 ( -2.906 -0.987 0.000) 3.069 19.253 ( 2.906 -0.987 0.000) 3.069 20.049 ( -5.127 11.116 0.000) 12.241 20.049 ( 5.127 11.116 0.000) 12.241 20.476 ( -5.349 -10.590 0.000) 11.864 20.476 ( 5.349 -10.590 0.000) 11.864 20.986 ( -2.935 2.602 0.000) 3.922 20.986 ( 2.935 2.602 0.000) 3.922 21.109 ( -2.285 -2.466 0.000) 3.362 21.109 ( 2.285 -2.466 0.000) 3.362 21.995 ( -2.307 2.677 0.000) 3.534 21.995 ( 2.307 2.677 0.000) 3.534 22.310 ( -3.379 -1.085 0.000) 3.549 22.310 ( 3.379 -1.085 0.000) 3.549 ======================= Grid point 33 (19/72) ======================= q-point: ( 0.00 -0.50 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 -21.938 0.000) 21.938 1.477 ( 0.000 21.938 0.000) 21.938 1.627 ( 0.000 -25.780 0.000) 25.780 1.627 ( 0.000 25.780 0.000) 25.780 2.573 ( 0.000 -1.007 0.000) 1.007 2.573 ( 0.000 1.007 0.000) 1.007 2.731 ( 0.000 -0.942 0.000) 0.942 2.731 ( 0.000 0.942 0.000) 0.942 2.835 ( 0.000 -22.133 0.000) 22.133 2.835 ( 0.000 22.133 0.000) 22.133 2.968 ( 0.000 -0.511 0.000) 0.511 2.968 ( 0.000 0.511 0.000) 0.511 3.172 ( 0.000 -10.018 0.000) 10.018 3.172 ( 0.000 10.018 0.000) 10.018 3.452 ( 0.000 -1.352 0.000) 1.352 3.452 ( 0.000 1.352 0.000) 1.352 3.672 ( 0.000 -5.918 0.000) 5.918 3.672 ( 0.000 5.918 0.000) 5.918 3.850 ( 0.000 -13.091 0.000) 13.091 3.850 ( 0.000 13.091 0.000) 13.091 4.128 ( 0.000 -5.072 0.000) 5.072 4.128 ( 0.000 5.072 0.000) 5.072 4.627 ( 0.000 -1.152 0.000) 1.152 4.627 ( 0.000 1.152 0.000) 1.152 4.936 ( 0.000 -6.793 0.000) 6.793 4.936 ( 0.000 6.793 0.000) 6.793 5.392 ( 0.000 -3.619 0.000) 3.619 5.392 ( 0.000 3.619 0.000) 3.619 5.533 ( 0.000 -5.508 0.000) 5.508 5.533 ( 0.000 5.508 0.000) 5.508 5.551 ( 0.000 -2.956 0.000) 2.956 5.551 ( 0.000 2.956 0.000) 2.956 5.813 ( 0.000 -7.202 0.000) 7.202 5.813 ( 0.000 7.202 0.000) 7.202 6.022 ( 0.000 -3.366 0.000) 3.366 6.022 ( 0.000 3.366 0.000) 3.366 6.248 ( 0.000 -1.355 0.000) 1.355 6.248 ( 0.000 1.355 0.000) 1.355 6.377 ( 0.000 -5.823 0.000) 5.823 6.377 ( 0.000 5.823 0.000) 5.823 7.526 ( 0.000 -0.892 0.000) 0.892 7.526 ( 0.000 0.892 0.000) 0.892 7.896 ( 0.000 -6.329 0.000) 6.329 7.896 ( 0.000 6.329 0.000) 6.329 8.047 ( 0.000 -4.543 0.000) 4.543 8.047 ( 0.000 4.543 0.000) 4.543 8.293 ( 0.000 -4.850 0.000) 4.850 8.293 ( 0.000 4.850 0.000) 4.850 8.758 ( 0.000 -9.905 0.000) 9.905 8.758 ( 0.000 9.905 0.000) 9.905 9.183 ( 0.000 -1.139 0.000) 1.139 9.183 ( 0.000 1.139 0.000) 1.139 9.649 ( 0.000 -1.506 0.000) 1.506 9.649 ( 0.000 1.506 0.000) 1.506 9.753 ( 0.000 -1.346 0.000) 1.346 9.753 ( 0.000 1.346 0.000) 1.346 10.150 ( 0.000 -2.938 0.000) 2.938 10.150 ( 0.000 2.938 0.000) 2.938 10.334 ( 0.000 -0.858 0.000) 0.858 10.334 ( 0.000 0.858 0.000) 0.858 11.104 ( 0.000 -4.895 0.000) 4.895 11.104 ( 0.000 4.895 0.000) 4.895 11.281 ( 0.000 -10.005 0.000) 10.005 11.281 ( 0.000 10.005 0.000) 10.005 12.255 ( 0.000 -4.674 0.000) 4.674 12.255 ( 0.000 4.674 0.000) 4.674 12.847 ( 0.000 -1.522 0.000) 1.522 12.847 ( 0.000 1.522 0.000) 1.522 13.383 ( 0.000 -7.886 0.000) 7.886 13.383 ( 0.000 7.886 0.000) 7.886 14.229 ( 0.000 -5.612 0.000) 5.612 14.229 ( 0.000 5.612 0.000) 5.612 14.482 ( 0.000 -7.932 0.000) 7.932 14.482 ( 0.000 7.932 0.000) 7.932 15.128 ( 0.000 -3.340 0.000) 3.340 15.128 ( 0.000 3.340 0.000) 3.340 15.315 ( 0.000 -3.947 0.000) 3.947 15.315 ( 0.000 3.947 0.000) 3.947 16.118 ( 0.000 -5.618 0.000) 5.618 16.118 ( 0.000 5.618 0.000) 5.618 16.417 ( 0.000 -1.895 0.000) 1.895 16.417 ( 0.000 1.895 0.000) 1.895 16.792 ( 0.000 -4.756 0.000) 4.756 16.792 ( 0.000 4.756 0.000) 4.756 17.412 ( 0.000 -0.193 0.000) 0.193 17.412 ( 0.000 0.193 0.000) 0.193 17.699 ( 0.000 -2.802 0.000) 2.802 17.699 ( 0.000 2.802 0.000) 2.802 18.273 ( 0.000 -7.944 0.000) 7.944 18.273 ( 0.000 7.944 0.000) 7.944 18.863 ( 0.000 -5.089 0.000) 5.089 18.863 ( 0.000 5.089 0.000) 5.089 19.199 ( 0.000 -0.294 0.000) 0.294 19.199 ( 0.000 0.294 0.000) 0.294 19.376 ( 0.000 -1.565 0.000) 1.565 19.376 ( 0.000 1.565 0.000) 1.565 19.924 ( 0.000 -6.993 0.000) 6.993 19.924 ( 0.000 6.993 0.000) 6.993 20.596 ( 0.000 -6.786 0.000) 6.786 20.596 ( 0.000 6.786 0.000) 6.786 21.036 ( 0.000 -6.371 0.000) 6.371 21.036 ( 0.000 6.371 0.000) 6.371 21.477 ( 0.000 -1.736 0.000) 1.736 21.477 ( 0.000 1.736 0.000) 1.736 21.832 ( 0.000 -3.813 0.000) 3.813 21.832 ( 0.000 3.813 0.000) 3.813 22.506 ( 0.000 -4.719 0.000) 4.719 22.506 ( 0.000 4.719 0.000) 4.719 ======================= Grid point 35 (20/72) ======================= q-point: ( 0.10 -0.50 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 5.765 -19.360 0.000) 20.200 1.538 ( 5.765 19.360 0.000) 20.200 1.690 ( 6.371 -23.410 0.000) 24.261 1.690 ( 6.371 23.410 0.000) 24.261 2.584 ( 0.923 -3.739 0.000) 3.851 2.584 ( 0.923 3.739 0.000) 3.851 2.780 ( 3.767 -1.847 0.000) 4.196 2.780 ( 3.767 1.847 0.000) 4.196 2.887 ( 4.529 -16.376 0.000) 16.990 2.887 ( 4.529 16.376 0.000) 16.990 2.946 ( -0.778 -2.141 0.000) 2.278 2.946 ( -0.778 2.141 0.000) 2.278 3.210 ( 3.196 -8.622 0.000) 9.195 3.210 ( 3.196 8.622 0.000) 9.195 3.445 ( -0.124 -3.516 0.000) 3.518 3.445 ( -0.124 3.516 0.000) 3.518 3.666 ( -0.507 -6.219 0.000) 6.239 3.666 ( -0.507 6.219 0.000) 6.239 3.865 ( 0.779 -12.259 0.000) 12.284 3.865 ( 0.779 12.259 0.000) 12.284 4.066 ( -5.119 -3.957 0.000) 6.470 4.066 ( -5.119 3.957 0.000) 6.470 4.626 ( -0.586 -0.512 0.000) 0.778 4.626 ( -0.586 0.512 0.000) 0.778 4.935 ( 0.091 -7.327 0.000) 7.328 4.935 ( 0.091 7.327 0.000) 7.328 5.343 ( -4.467 -3.663 0.000) 5.776 5.343 ( -4.467 3.663 0.000) 5.776 5.509 ( -1.772 -1.509 0.000) 2.327 5.509 ( -1.772 1.509 0.000) 2.327 5.630 ( 6.004 -7.179 0.000) 9.358 5.630 ( 6.004 7.179 0.000) 9.358 5.823 ( 2.900 -7.247 0.000) 7.806 5.823 ( 2.900 7.247 0.000) 7.806 6.070 ( 2.490 -3.615 0.000) 4.390 6.070 ( 2.490 3.615 0.000) 4.390 6.232 ( -1.075 -3.185 0.000) 3.361 6.232 ( -1.075 3.185 0.000) 3.361 6.356 ( -1.670 -5.368 0.000) 5.622 6.356 ( -1.670 5.368 0.000) 5.622 7.510 ( -1.291 -3.401 0.000) 3.637 7.510 ( -1.291 3.401 0.000) 3.637 7.884 ( -1.201 -5.307 0.000) 5.441 7.884 ( -1.201 5.307 0.000) 5.441 8.057 ( 0.636 -4.295 0.000) 4.342 8.057 ( 0.636 4.295 0.000) 4.342 8.283 ( -0.926 -5.505 0.000) 5.583 8.283 ( -0.926 5.505 0.000) 5.583 8.729 ( -3.069 -9.153 0.000) 9.654 8.729 ( -3.069 9.153 0.000) 9.654 9.080 ( -8.253 -4.178 0.000) 9.250 9.080 ( -8.253 4.178 0.000) 9.250 9.598 ( -0.482 -3.248 0.000) 3.284 9.598 ( -0.482 3.248 0.000) 3.284 9.881 ( 5.994 -1.074 0.000) 6.089 9.881 ( 5.994 1.074 0.000) 6.089 10.204 ( 4.778 -3.516 0.000) 5.932 10.204 ( 4.778 3.516 0.000) 5.932 10.345 ( 2.078 -3.191 0.000) 3.808 10.345 ( 2.078 3.191 0.000) 3.808 11.166 ( 5.912 -2.146 0.000) 6.290 11.166 ( 5.912 2.146 0.000) 6.290 11.379 ( 9.246 -5.690 0.000) 10.856 11.379 ( 9.246 5.690 0.000) 10.856 12.251 ( -0.198 -4.359 0.000) 4.363 12.251 ( -0.198 4.359 0.000) 4.363 12.854 ( 0.696 -1.018 0.000) 1.233 12.854 ( 0.696 1.018 0.000) 1.233 13.420 ( 3.607 -8.083 0.000) 8.852 13.420 ( 3.607 8.083 0.000) 8.852 14.087 ( -12.117 -3.402 0.000) 12.586 14.087 ( -12.117 3.402 0.000) 12.586 14.518 ( 2.417 -5.092 0.000) 5.636 14.518 ( 2.417 5.092 0.000) 5.636 15.070 ( -5.309 -3.327 0.000) 6.266 15.070 ( -5.309 3.327 0.000) 6.266 15.299 ( -1.744 -3.196 0.000) 3.641 15.299 ( -1.744 3.196 0.000) 3.641 16.090 ( -3.179 -7.514 0.000) 8.159 16.090 ( -3.179 7.514 0.000) 8.159 16.426 ( 0.863 -3.266 0.000) 3.378 16.426 ( 0.863 3.266 0.000) 3.378 16.817 ( 2.290 -5.019 0.000) 5.517 16.817 ( 2.290 5.019 0.000) 5.517 17.443 ( 3.673 -2.290 0.000) 4.329 17.443 ( 3.673 2.290 0.000) 4.329 17.773 ( 6.272 -4.490 0.000) 7.714 17.773 ( 6.272 4.490 0.000) 7.714 18.303 ( 2.924 -7.772 0.000) 8.304 18.303 ( 2.924 7.772 0.000) 8.304 18.839 ( -2.871 -4.858 0.000) 5.643 18.839 ( -2.871 4.858 0.000) 5.643 19.164 ( -2.120 -2.474 0.000) 3.258 19.164 ( -2.120 2.474 0.000) 3.258 19.350 ( -2.619 -3.530 0.000) 4.396 19.350 ( -2.619 3.530 0.000) 4.396 19.967 ( 3.790 -6.591 0.000) 7.603 19.967 ( 3.790 6.591 0.000) 7.603 20.575 ( -1.963 -7.069 0.000) 7.336 20.575 ( -1.963 7.069 0.000) 7.336 21.030 ( -0.585 -6.048 0.000) 6.076 21.030 ( -0.585 6.048 0.000) 6.076 21.432 ( -4.362 -3.563 0.000) 5.632 21.432 ( -4.362 3.563 0.000) 5.632 21.836 ( 0.625 -3.465 0.000) 3.521 21.836 ( 0.625 3.465 0.000) 3.521 22.510 ( 0.033 -5.662 0.000) 5.662 22.510 ( 0.033 5.662 0.000) 5.662 ======================= Grid point 37 (21/72) ======================= q-point: ( 0.20 -0.50 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 8.663 -14.239 0.000) 16.667 1.677 ( 8.663 14.239 0.000) 16.667 1.866 ( 11.352 -14.888 0.000) 18.722 1.866 ( 11.352 14.888 0.000) 18.722 2.580 ( -2.095 -2.441 0.000) 3.216 2.580 ( -2.095 2.441 0.000) 3.216 2.824 ( 0.722 -1.954 0.000) 2.084 2.824 ( 0.722 1.954 0.000) 2.084 2.926 ( 2.101 -0.796 0.000) 2.247 2.926 ( 2.101 0.796 0.000) 2.247 3.042 ( 7.294 -10.277 0.000) 12.602 3.042 ( 7.294 10.277 0.000) 12.602 3.237 ( -1.772 -5.397 0.000) 5.681 3.237 ( -1.772 5.397 0.000) 5.681 3.484 ( 4.055 -5.359 0.000) 6.720 3.484 ( 4.055 5.359 0.000) 6.720 3.653 ( -0.952 -6.413 0.000) 6.483 3.653 ( -0.952 6.413 0.000) 6.483 3.837 ( -3.598 -6.845 0.000) 7.733 3.837 ( -3.598 6.845 0.000) 7.733 4.012 ( 1.074 -8.762 0.000) 8.828 4.012 ( 1.074 8.762 0.000) 8.828 4.595 ( -2.331 -3.540 0.000) 4.239 4.595 ( -2.331 3.540 0.000) 4.239 4.944 ( 0.671 -9.599 0.000) 9.623 4.944 ( 0.671 9.599 0.000) 9.623 5.235 ( -5.951 -3.531 0.000) 6.920 5.235 ( -5.951 3.531 0.000) 6.920 5.494 ( 0.022 -1.911 0.000) 1.911 5.494 ( 0.022 1.911 0.000) 1.911 5.710 ( 1.943 -10.047 0.000) 10.233 5.710 ( 1.943 10.047 0.000) 10.233 5.943 ( 7.965 -5.736 0.000) 9.815 5.943 ( 7.965 5.736 0.000) 9.815 6.062 ( -2.126 -2.640 0.000) 3.390 6.062 ( -2.126 2.640 0.000) 3.390 6.234 ( 0.888 -4.642 0.000) 4.727 6.234 ( 0.888 4.642 0.000) 4.727 6.331 ( -0.674 -5.630 0.000) 5.670 6.331 ( -0.674 5.630 0.000) 5.670 7.495 ( 0.157 -4.607 0.000) 4.609 7.495 ( 0.157 4.607 0.000) 4.609 7.855 ( -1.718 -4.227 0.000) 4.563 7.855 ( -1.718 4.227 0.000) 4.563 8.052 ( -1.540 -4.939 0.000) 5.173 8.052 ( -1.540 4.939 0.000) 5.173 8.258 ( -2.027 -6.062 0.000) 6.392 8.258 ( -2.027 6.062 0.000) 6.392 8.647 ( -4.715 -6.880 0.000) 8.341 8.647 ( -4.715 6.880 0.000) 8.341 8.940 ( -5.478 -5.233 0.000) 7.576 8.940 ( -5.478 5.233 0.000) 7.576 9.631 ( 3.101 -3.125 0.000) 4.402 9.631 ( 3.101 3.125 0.000) 4.402 9.933 ( 0.301 -2.544 0.000) 2.562 9.933 ( 0.301 2.544 0.000) 2.562 10.277 ( 2.532 -2.968 0.000) 3.902 10.277 ( 2.532 2.968 0.000) 3.902 10.443 ( 7.174 -2.768 0.000) 7.689 10.443 ( 7.174 2.768 0.000) 7.689 11.306 ( 7.794 -1.600 0.000) 7.957 11.306 ( 7.794 1.600 0.000) 7.957 11.580 ( 9.939 -3.140 0.000) 10.423 11.580 ( 9.939 3.140 0.000) 10.423 12.264 ( 2.081 -3.655 0.000) 4.206 12.264 ( 2.081 3.655 0.000) 4.206 12.868 ( 0.543 -1.193 0.000) 1.311 12.868 ( 0.543 1.193 0.000) 1.311 13.500 ( 3.847 -8.512 0.000) 9.341 13.500 ( 3.847 8.512 0.000) 9.341 13.850 ( -10.524 -4.781 0.000) 11.559 13.850 ( -10.524 4.781 0.000) 11.559 14.557 ( 1.606 -4.122 0.000) 4.424 14.557 ( 1.606 4.122 0.000) 4.424 14.953 ( -6.118 -3.072 0.000) 6.846 14.953 ( -6.118 3.072 0.000) 6.846 15.249 ( -3.238 -3.269 0.000) 4.601 15.249 ( -3.238 3.269 0.000) 4.601 15.984 ( -7.911 -9.456 0.000) 12.329 15.984 ( -7.911 9.456 0.000) 12.329 16.455 ( 2.387 -0.823 0.000) 2.525 16.455 ( 2.387 0.823 0.000) 2.525 16.878 ( 3.958 -6.084 0.000) 7.258 16.878 ( 3.958 6.084 0.000) 7.258 17.541 ( 5.650 -2.918 0.000) 6.359 17.541 ( 5.650 2.918 0.000) 6.359 17.895 ( 5.598 -4.088 0.000) 6.932 17.895 ( 5.598 4.088 0.000) 6.932 18.372 ( 3.870 -8.021 0.000) 8.905 18.372 ( 3.870 8.021 0.000) 8.905 18.752 ( -5.425 -5.309 0.000) 7.590 18.752 ( -5.425 5.309 0.000) 7.590 19.150 ( 0.209 -5.306 0.000) 5.310 19.150 ( 0.209 5.306 0.000) 5.310 19.297 ( -1.958 -4.291 0.000) 4.717 19.297 ( -1.958 4.291 0.000) 4.717 20.040 ( 3.378 -7.126 0.000) 7.886 20.040 ( 3.378 7.126 0.000) 7.886 20.529 ( -2.705 -7.896 0.000) 8.346 20.529 ( -2.705 7.896 0.000) 8.346 21.018 ( -0.523 -5.819 0.000) 5.842 21.018 ( -0.523 5.819 0.000) 5.842 21.325 ( -6.330 -5.550 0.000) 8.419 21.325 ( -6.330 5.550 0.000) 8.419 21.864 ( 2.251 -3.543 0.000) 4.197 21.864 ( 2.251 3.543 0.000) 4.197 22.491 ( -2.241 -5.773 0.000) 6.193 22.491 ( -2.241 5.773 0.000) 6.193 ======================= Grid point 39 (22/72) ======================= q-point: ( 0.30 -0.50 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 12.427 -7.583 0.000) 14.558 1.881 ( 12.427 7.583 0.000) 14.558 2.092 ( 10.857 -7.483 0.000) 13.186 2.092 ( 10.857 7.483 0.000) 13.186 2.516 ( -3.087 -4.858 0.000) 5.756 2.516 ( -3.087 4.858 0.000) 5.756 2.836 ( -0.107 -1.494 0.000) 1.498 2.836 ( -0.107 1.494 0.000) 1.498 2.967 ( 2.447 -0.810 0.000) 2.577 2.967 ( 2.447 0.810 0.000) 2.577 3.104 ( -5.505 -2.653 0.000) 6.111 3.104 ( -5.505 2.653 0.000) 6.111 3.179 ( -0.539 -3.222 0.000) 3.267 3.179 ( -0.539 3.222 0.000) 3.267 3.531 ( -0.198 -3.344 0.000) 3.350 3.531 ( -0.198 3.344 0.000) 3.350 3.624 ( -1.523 -3.614 0.000) 3.921 3.624 ( -1.523 3.614 0.000) 3.921 3.795 ( -0.514 -4.407 0.000) 4.437 3.795 ( -0.514 4.407 0.000) 4.437 4.103 ( 7.850 -10.648 0.000) 13.229 4.103 ( 7.850 10.648 0.000) 13.229 4.558 ( -1.034 -6.054 0.000) 6.142 4.558 ( -1.034 6.054 0.000) 6.142 4.946 ( -0.777 -10.863 0.000) 10.891 4.946 ( -0.777 10.863 0.000) 10.891 5.139 ( -3.821 -6.199 0.000) 7.282 5.139 ( -3.821 6.199 0.000) 7.282 5.497 ( 0.321 -0.999 0.000) 1.050 5.497 ( 0.321 0.999 0.000) 1.050 5.702 ( -2.594 -8.096 0.000) 8.502 5.702 ( -2.594 8.096 0.000) 8.502 6.009 ( 0.270 -5.556 0.000) 5.563 6.009 ( 0.270 5.556 0.000) 5.563 6.121 ( 6.788 -8.242 0.000) 10.677 6.121 ( 6.788 8.242 0.000) 10.677 6.251 ( 1.060 -4.081 0.000) 4.217 6.251 ( 1.060 4.081 0.000) 4.217 6.326 ( -0.005 -5.343 0.000) 5.343 6.326 ( -0.005 5.343 0.000) 5.343 7.525 ( 2.963 -5.134 0.000) 5.928 7.525 ( 2.963 5.134 0.000) 5.928 7.820 ( -1.892 -3.987 0.000) 4.413 7.820 ( -1.892 3.987 0.000) 4.413 7.997 ( -3.942 -5.621 0.000) 6.865 7.997 ( -3.942 5.621 0.000) 6.865 8.179 ( -6.435 -6.595 0.000) 9.214 8.179 ( -6.435 6.595 0.000) 9.214 8.592 ( -0.153 -7.810 0.000) 7.811 8.592 ( -0.153 7.810 0.000) 7.811 8.866 ( -2.635 -4.515 0.000) 5.228 8.866 ( -2.635 4.515 0.000) 5.228 9.696 ( 3.332 -2.119 0.000) 3.949 9.696 ( 3.332 2.119 0.000) 3.949 9.919 ( -1.448 -3.050 0.000) 3.377 9.919 ( -1.448 3.050 0.000) 3.377 10.318 ( 1.903 -2.743 0.000) 3.339 10.318 ( 1.903 2.743 0.000) 3.339 10.578 ( 6.310 -1.826 0.000) 6.569 10.578 ( 6.310 1.826 0.000) 6.569 11.439 ( 5.584 -2.376 0.000) 6.068 11.439 ( 5.584 2.376 0.000) 6.068 11.723 ( 4.606 -3.566 0.000) 5.825 11.723 ( 4.606 3.566 0.000) 5.825 12.339 ( 5.417 -2.919 0.000) 6.154 12.339 ( 5.417 2.919 0.000) 6.154 12.863 ( -1.385 -3.520 0.000) 3.783 12.863 ( -1.385 3.520 0.000) 3.783 13.538 ( 0.460 -9.336 0.000) 9.348 13.538 ( 0.460 9.336 0.000) 9.348 13.733 ( -1.833 -11.290 0.000) 11.438 13.733 ( -1.833 11.290 0.000) 11.438 14.578 ( 0.518 -3.013 0.000) 3.057 14.578 ( 0.518 3.013 0.000) 3.057 14.856 ( -3.676 -2.964 0.000) 4.722 14.856 ( -3.676 2.964 0.000) 4.722 15.189 ( -2.408 -3.886 0.000) 4.571 15.189 ( -2.408 3.886 0.000) 4.571 15.801 ( -10.407 -8.393 0.000) 13.370 15.801 ( -10.407 8.393 0.000) 13.370 16.520 ( 4.156 -0.771 0.000) 4.227 16.520 ( 4.156 0.771 0.000) 4.227 16.952 ( 3.129 -7.300 0.000) 7.942 16.952 ( 3.129 7.300 0.000) 7.942 17.647 ( 5.415 -1.186 0.000) 5.543 17.647 ( 5.415 1.186 0.000) 5.543 17.964 ( 1.125 -0.919 0.000) 1.453 17.964 ( 1.125 0.919 0.000) 1.453 18.450 ( 4.283 -7.844 0.000) 8.937 18.450 ( 4.283 7.844 0.000) 8.937 18.659 ( -3.657 -7.185 0.000) 8.062 18.659 ( -3.657 7.185 0.000) 8.062 19.152 ( 0.076 -4.943 0.000) 4.944 19.152 ( 0.076 4.943 0.000) 4.944 19.288 ( 0.337 -2.511 0.000) 2.533 19.288 ( 0.337 2.511 0.000) 2.533 20.096 ( 2.785 -9.198 0.000) 9.610 20.096 ( 2.785 9.198 0.000) 9.610 20.468 ( -3.749 -9.105 0.000) 9.846 20.468 ( -3.749 9.105 0.000) 9.846 21.011 ( -0.197 -5.482 0.000) 5.486 21.011 ( -0.197 5.482 0.000) 5.486 21.204 ( -5.750 -4.745 0.000) 7.455 21.204 ( -5.750 4.745 0.000) 7.455 21.919 ( 3.382 -3.228 0.000) 4.676 21.919 ( 3.382 3.228 0.000) 4.676 22.426 ( -4.187 -4.810 0.000) 6.377 22.426 ( -4.187 4.810 0.000) 6.377 ======================= Grid point 41 (23/72) ======================= q-point: ( 0.40 -0.50 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 11.022 -0.481 0.000) 11.032 2.130 ( 11.022 0.481 0.000) 11.032 2.234 ( 4.723 -4.937 0.000) 6.832 2.234 ( 4.723 4.937 0.000) 6.832 2.524 ( 4.007 -3.489 0.000) 5.314 2.524 ( 4.007 3.489 0.000) 5.314 2.795 ( -5.119 -1.419 0.000) 5.312 2.795 ( -5.119 1.419 0.000) 5.312 2.919 ( -5.930 -2.403 0.000) 6.399 2.919 ( -5.930 2.403 0.000) 6.399 3.060 ( 0.735 -1.413 0.000) 1.592 3.060 ( 0.735 1.413 0.000) 1.592 3.134 ( -1.681 -1.497 0.000) 2.251 3.134 ( -1.681 1.497 0.000) 2.251 3.463 ( -6.102 -3.359 0.000) 6.966 3.463 ( -6.102 3.359 0.000) 6.966 3.647 ( 3.208 -6.631 0.000) 7.366 3.647 ( 3.208 6.631 0.000) 7.366 3.783 ( -1.038 -3.151 0.000) 3.318 3.783 ( -1.038 3.151 0.000) 3.318 4.271 ( 8.310 -5.571 0.000) 10.005 4.271 ( 8.310 5.571 0.000) 10.005 4.556 ( 0.103 -5.810 0.000) 5.811 4.556 ( 0.103 5.810 0.000) 5.811 4.923 ( -0.967 -6.421 0.000) 6.494 4.923 ( -0.967 6.421 0.000) 6.494 5.073 ( -3.311 -5.283 0.000) 6.235 5.073 ( -3.311 5.283 0.000) 6.235 5.516 ( 1.844 -4.153 0.000) 4.544 5.516 ( 1.844 4.153 0.000) 4.544 5.635 ( -3.750 -6.646 0.000) 7.631 5.635 ( -3.750 6.646 0.000) 7.631 6.025 ( 0.953 -4.110 0.000) 4.219 6.025 ( 0.953 4.110 0.000) 4.219 6.217 ( 2.742 -6.770 0.000) 7.304 6.217 ( 2.742 6.770 0.000) 7.304 6.280 ( 1.889 -0.769 0.000) 2.039 6.280 ( 1.889 0.769 0.000) 2.039 6.330 ( 0.417 -4.670 0.000) 4.689 6.330 ( 0.417 4.670 0.000) 4.689 7.604 ( 4.889 -6.364 0.000) 8.025 7.604 ( 4.889 6.364 0.000) 8.025 7.777 ( -2.804 -5.300 0.000) 5.996 7.777 ( -2.804 5.300 0.000) 5.996 7.914 ( -4.075 -4.426 0.000) 6.016 7.914 ( -4.075 4.426 0.000) 6.016 8.047 ( -5.874 -4.049 0.000) 7.134 8.047 ( -5.874 4.049 0.000) 7.134 8.628 ( 2.987 -6.363 0.000) 7.029 8.628 ( 2.987 6.363 0.000) 7.029 8.823 ( -2.026 -3.724 0.000) 4.239 8.823 ( -2.026 3.724 0.000) 4.239 9.758 ( 3.153 -1.599 0.000) 3.535 9.758 ( 3.153 1.599 0.000) 3.535 9.880 ( -2.668 -2.984 0.000) 4.003 9.880 ( -2.668 2.984 0.000) 4.003 10.351 ( 1.362 -1.750 0.000) 2.218 10.351 ( 1.362 1.750 0.000) 2.218 10.675 ( 3.558 -0.893 0.000) 3.668 10.675 ( 3.558 0.893 0.000) 3.668 11.515 ( 2.323 -1.569 0.000) 2.803 11.515 ( 2.323 1.569 0.000) 2.803 11.771 ( 1.000 -2.138 0.000) 2.360 11.771 ( 1.000 2.138 0.000) 2.360 12.448 ( 5.094 -2.201 0.000) 5.549 12.448 ( 5.094 2.201 0.000) 5.549 12.815 ( -3.088 -3.944 0.000) 5.009 12.815 ( -3.088 3.944 0.000) 5.009 13.570 ( 3.318 -9.819 0.000) 10.365 13.570 ( 3.318 9.819 0.000) 10.365 13.713 ( -1.528 -10.539 0.000) 10.649 13.713 ( -1.528 10.539 0.000) 10.649 14.586 ( 0.584 -1.595 0.000) 1.699 14.586 ( 0.584 1.595 0.000) 1.699 14.798 ( -2.828 -1.306 0.000) 3.115 14.798 ( -2.828 1.306 0.000) 3.115 15.181 ( 1.689 -3.218 0.000) 3.634 15.181 ( 1.689 3.218 0.000) 3.634 15.608 ( -8.838 -6.078 0.000) 10.726 15.608 ( -8.838 6.078 0.000) 10.726 16.599 ( 3.504 -0.687 0.000) 3.571 16.599 ( 3.504 0.687 0.000) 3.571 16.988 ( 0.670 -4.984 0.000) 5.029 16.988 ( 0.670 4.984 0.000) 5.029 17.753 ( 5.471 -2.844 0.000) 6.166 17.753 ( 5.471 2.844 0.000) 6.166 17.941 ( -2.982 -5.337 0.000) 6.114 17.941 ( -2.982 5.337 0.000) 6.114 18.520 ( 2.124 -7.982 0.000) 8.259 18.520 ( 2.124 7.982 0.000) 8.259 18.625 ( 0.124 -9.021 0.000) 9.022 18.625 ( 0.124 9.021 0.000) 9.022 19.167 ( 1.779 -3.621 0.000) 4.035 19.167 ( 1.779 3.621 0.000) 4.035 19.280 ( -1.562 -0.672 0.000) 1.700 19.280 ( -1.562 0.672 0.000) 1.700 20.161 ( 4.137 -10.434 0.000) 11.225 20.161 ( 4.137 10.434 0.000) 11.225 20.380 ( -5.324 -10.405 0.000) 11.688 20.380 ( -5.324 10.405 0.000) 11.688 21.011 ( 0.108 -4.095 0.000) 4.096 21.011 ( 0.108 4.095 0.000) 4.096 21.115 ( -3.300 -2.383 0.000) 4.070 21.115 ( -3.300 2.383 0.000) 4.070 21.986 ( 3.214 -2.152 0.000) 3.868 21.986 ( 3.214 2.152 0.000) 3.868 22.343 ( -3.996 -3.211 0.000) 5.126 22.343 ( -3.996 3.211 0.000) 5.126 ======================= Grid point 43 (24/72) ======================= q-point: (-0.50 -0.50 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.000 -0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.675 ( -0.000 -0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 -0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.959 ( -0.000 -0.000 0.000) 0.000 2.959 ( -0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.370 ( -0.000 -0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.766 ( -0.000 -0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 -0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 -0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 -0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 -0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.571 ( -0.000 -0.000 0.000) 0.000 5.571 ( -0.000 0.000 0.000) 0.000 6.035 ( 0.000 -0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 -0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 -0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 -0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 7.690 ( -0.000 -0.000 0.000) 0.000 7.690 ( 0.000 -0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.714 ( -0.000 0.000 0.000) 0.000 7.868 ( 0.000 -0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 -0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.668 ( 0.000 0.000 0.000) 0.000 8.668 ( 0.000 0.000 0.000) 0.000 8.797 ( 0.000 -0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 9.817 ( 0.000 -0.000 0.000) 0.000 9.817 ( 0.000 0.000 0.000) 0.000 9.823 ( 0.000 -0.000 0.000) 0.000 9.823 ( -0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 -0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 -0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 12.505 ( 0.000 0.000 0.000) 0.000 12.505 ( 0.000 0.000 0.000) 0.000 12.777 ( 0.000 -0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 13.632 ( 0.000 -0.000 0.000) 0.000 13.632 ( 0.000 0.000 0.000) 0.000 13.674 ( 0.000 -0.000 0.000) 0.000 13.674 ( 0.000 0.000 0.000) 0.000 14.596 ( 0.000 -0.000 0.000) 0.000 14.596 ( 0.000 0.000 0.000) 0.000 14.762 ( 0.000 0.000 0.000) 0.000 14.762 ( 0.000 0.000 0.000) 0.000 15.215 ( 0.000 0.000 0.000) 0.000 15.215 ( 0.000 0.000 0.000) 0.000 15.506 ( 0.000 0.000 0.000) 0.000 15.506 ( 0.000 0.000 0.000) 0.000 16.636 ( 0.000 0.000 0.000) 0.000 16.636 ( 0.000 0.000 0.000) 0.000 16.991 ( 0.000 0.000 0.000) 0.000 16.991 ( 0.000 0.000 0.000) 0.000 17.837 ( 0.000 0.000 0.000) 0.000 17.837 ( 0.000 0.000 0.000) 0.000 17.880 ( -0.000 -0.000 0.000) 0.000 17.880 ( 0.000 -0.000 0.000) 0.000 18.535 ( 0.000 -0.000 0.000) 0.000 18.535 ( 0.000 0.000 0.000) 0.000 18.635 ( 0.000 0.000 0.000) 0.000 18.635 ( 0.000 0.000 0.000) 0.000 19.208 ( 0.000 -0.000 0.000) 0.000 19.208 ( 0.000 0.000 0.000) 0.000 19.241 ( -0.000 -0.000 0.000) 0.000 19.241 ( 0.000 -0.000 0.000) 0.000 20.237 ( -0.000 0.000 0.000) 0.000 20.237 ( 0.000 0.000 0.000) 0.000 20.292 ( 0.000 -0.000 0.000) 0.000 20.292 ( 0.000 -0.000 0.000) 0.000 21.013 ( 0.000 -0.000 0.000) 0.000 21.013 ( 0.000 0.000 0.000) 0.000 21.082 ( 0.000 -0.000 0.000) 0.000 21.082 ( 0.000 0.000 0.000) 0.000 22.023 ( 0.000 0.000 0.000) 0.000 22.023 ( 0.000 0.000 0.000) 0.000 22.298 ( 0.000 -0.000 0.000) 0.000 22.298 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 77 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.000 0.000 27.501) 27.501 0.627 ( 0.000 0.000 30.156) 30.156 1.106 ( 0.000 0.000 52.748) 52.748 2.027 ( 0.000 0.000 -16.459) 16.459 2.249 ( 0.000 0.000 -17.630) 17.630 2.405 ( 0.000 0.000 11.473) 11.473 2.606 ( 0.000 0.000 3.023) 3.023 2.773 ( 0.000 0.000 1.996) 1.996 2.865 ( 0.000 0.000 -0.925) 0.925 2.942 ( 0.000 0.000 4.133) 4.133 3.069 ( 0.000 0.000 0.057) 0.057 3.161 ( 0.000 0.000 -2.574) 2.574 3.341 ( 0.000 0.000 5.810) 5.810 3.351 ( 0.000 0.000 -3.998) 3.998 3.415 ( 0.000 0.000 7.169) 7.169 3.487 ( 0.000 0.000 -1.380) 1.380 3.533 ( 0.000 0.000 -0.075) 0.075 3.815 ( 0.000 0.000 4.093) 4.093 3.881 ( 0.000 0.000 -13.433) 13.433 4.087 ( 0.000 0.000 -2.669) 2.669 4.125 ( 0.000 0.000 -8.787) 8.787 4.336 ( 0.000 0.000 -12.704) 12.704 4.599 ( 0.000 0.000 -0.311) 0.311 4.777 ( 0.000 0.000 6.097) 6.097 4.819 ( 0.000 0.000 -1.306) 1.306 4.961 ( 0.000 0.000 -4.983) 4.983 5.057 ( 0.000 0.000 5.373) 5.373 5.139 ( 0.000 0.000 -0.964) 0.964 5.219 ( 0.000 0.000 -6.810) 6.810 5.319 ( 0.000 0.000 1.123) 1.123 5.604 ( 0.000 0.000 -2.135) 2.135 5.618 ( 0.000 0.000 5.818) 5.818 5.645 ( 0.000 0.000 -0.956) 0.956 5.732 ( 0.000 0.000 7.346) 7.346 5.983 ( 0.000 0.000 1.054) 1.054 6.008 ( 0.000 0.000 2.025) 2.025 6.296 ( 0.000 0.000 -5.047) 5.047 6.327 ( 0.000 0.000 -0.995) 0.995 6.587 ( 0.000 0.000 7.184) 7.184 6.808 ( 0.000 0.000 -0.796) 0.796 7.355 ( 0.000 0.000 0.771) 0.771 7.492 ( 0.000 0.000 -3.213) 3.213 7.880 ( 0.000 0.000 1.321) 1.321 7.907 ( 0.000 0.000 -0.517) 0.517 8.093 ( 0.000 0.000 -1.136) 1.136 8.198 ( 0.000 0.000 -1.195) 1.195 8.281 ( 0.000 0.000 5.331) 5.331 8.446 ( 0.000 0.000 1.234) 1.234 8.844 ( 0.000 0.000 -2.975) 2.975 8.890 ( 0.000 0.000 -3.331) 3.331 9.161 ( 0.000 0.000 1.632) 1.632 9.220 ( 0.000 0.000 0.725) 0.725 9.576 ( 0.000 0.000 3.609) 3.609 9.672 ( 0.000 0.000 2.145) 2.145 9.723 ( 0.000 0.000 0.633) 0.633 9.804 ( 0.000 0.000 0.024) 0.024 10.138 ( 0.000 0.000 -1.268) 1.268 10.199 ( 0.000 0.000 -2.586) 2.586 10.247 ( 0.000 0.000 -2.286) 2.286 10.318 ( 0.000 0.000 -3.151) 3.151 10.650 ( 0.000 0.000 3.025) 3.025 10.832 ( 0.000 0.000 -1.683) 1.683 11.376 ( 0.000 0.000 2.400) 2.400 11.660 ( 0.000 0.000 -4.510) 4.510 12.483 ( 0.000 0.000 7.110) 7.110 12.797 ( 0.000 0.000 -0.755) 0.755 12.843 ( 0.000 0.000 0.997) 0.997 12.949 ( 0.000 0.000 -1.477) 1.477 13.594 ( 0.000 0.000 -0.410) 0.410 13.647 ( 0.000 0.000 -0.937) 0.937 13.727 ( 0.000 0.000 1.397) 1.397 14.006 ( 0.000 0.000 -6.683) 6.683 14.560 ( 0.000 0.000 0.593) 0.593 14.634 ( 0.000 0.000 -2.400) 2.400 14.905 ( 0.000 0.000 10.548) 10.548 15.115 ( 0.000 0.000 0.816) 0.816 15.182 ( 0.000 0.000 -0.987) 0.987 15.354 ( 0.000 0.000 -1.501) 1.501 15.930 ( 0.000 0.000 2.974) 2.974 16.159 ( 0.000 0.000 -2.609) 2.609 16.451 ( 0.000 0.000 -2.133) 2.133 16.553 ( 0.000 0.000 -6.667) 6.667 17.055 ( 0.000 0.000 4.513) 4.513 17.148 ( 0.000 0.000 -1.485) 1.485 17.164 ( 0.000 0.000 2.935) 2.935 17.338 ( 0.000 0.000 0.798) 0.798 17.946 ( 0.000 0.000 0.619) 0.619 18.030 ( 0.000 0.000 -1.374) 1.374 18.060 ( 0.000 0.000 3.547) 3.547 18.455 ( 0.000 0.000 -6.135) 6.135 18.628 ( 0.000 0.000 2.929) 2.929 18.712 ( 0.000 0.000 0.096) 0.096 19.111 ( 0.000 0.000 0.240) 0.240 19.251 ( 0.000 0.000 -3.192) 3.192 19.257 ( 0.000 0.000 1.103) 1.103 19.322 ( 0.000 0.000 -0.462) 0.462 19.675 ( 0.000 0.000 0.388) 0.388 19.709 ( 0.000 0.000 -0.502) 0.502 20.329 ( 0.000 0.000 4.079) 4.079 20.524 ( 0.000 0.000 -1.178) 1.178 20.645 ( 0.000 0.000 7.043) 7.043 21.122 ( 0.000 0.000 -0.272) 0.272 21.273 ( 0.000 0.000 -2.085) 2.085 21.343 ( 0.000 0.000 -6.524) 6.524 22.002 ( 0.000 0.000 1.258) 1.258 22.084 ( 0.000 0.000 -0.903) 0.903 22.651 ( 0.000 0.000 0.651) 0.651 22.707 ( 0.000 0.000 -0.520) 0.520 ======================= Grid point 78 (26/72) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 21.056 0.000 18.664) 28.137 0.898 ( 19.890 0.000 22.913) 30.342 1.487 ( 35.782 0.000 35.616) 50.486 2.108 ( 7.740 0.000 -16.062) 17.829 2.272 ( 2.063 0.000 -14.452) 14.598 2.402 ( 0.098 0.000 11.135) 11.135 2.671 ( 6.036 0.000 2.113) 6.395 2.796 ( 2.102 0.000 1.992) 2.896 2.869 ( 0.583 0.000 -1.212) 1.345 2.961 ( 1.449 0.000 1.469) 2.063 3.035 ( -2.951 0.000 0.869) 3.076 3.150 ( -1.486 0.000 -2.749) 3.125 3.299 ( -2.086 0.000 5.116) 5.525 3.338 ( -0.770 0.000 0.609) 0.982 3.375 ( -3.078 0.000 3.088) 4.360 3.513 ( -1.189 0.000 0.740) 1.401 3.518 ( -0.133 0.000 -0.076) 0.153 3.761 ( -3.969 0.000 1.143) 4.130 3.908 ( 1.402 0.000 -9.895) 9.994 4.040 ( -4.289 0.000 -3.306) 5.415 4.084 ( -4.085 0.000 -7.107) 8.197 4.311 ( -2.350 0.000 -12.952) 13.163 4.568 ( -2.843 0.000 -0.678) 2.923 4.744 ( -1.685 0.000 3.953) 4.297 4.860 ( 0.165 0.000 -3.739) 3.743 4.959 ( 0.677 0.000 0.538) 0.865 5.044 ( -4.431 0.000 5.368) 6.960 5.125 ( 2.978 0.000 -3.262) 4.417 5.186 ( -1.875 0.000 -4.499) 4.874 5.346 ( 2.766 0.000 0.752) 2.867 5.537 ( -3.578 0.000 5.256) 6.358 5.637 ( 2.508 0.000 0.223) 2.518 5.771 ( 5.640 0.000 0.134) 5.642 5.863 ( 8.123 0.000 -2.904) 8.627 6.041 ( 5.910 0.000 0.655) 5.946 6.062 ( 5.321 0.000 1.548) 5.541 6.262 ( -2.530 0.000 -0.624) 2.606 6.350 ( 2.011 0.000 -1.045) 2.266 6.539 ( -3.688 0.000 6.735) 7.679 6.778 ( -4.387 0.000 -1.412) 4.608 7.354 ( 0.240 0.000 0.910) 0.941 7.504 ( 0.908 0.000 -3.385) 3.505 7.846 ( -3.882 0.000 2.871) 4.828 7.903 ( 0.197 0.000 -1.674) 1.686 8.030 ( -5.450 0.000 2.327) 5.925 8.108 ( -3.084 0.000 2.621) 4.048 8.294 ( 0.367 0.000 5.654) 5.666 8.493 ( 3.925 0.000 0.181) 3.929 8.730 ( -7.901 0.000 -2.423) 8.264 8.789 ( -8.704 0.000 -3.256) 9.293 9.176 ( 0.762 0.000 0.846) 1.138 9.286 ( 1.989 0.000 -0.295) 2.011 9.590 ( 1.241 0.000 1.894) 2.265 9.634 ( -1.866 0.000 -0.709) 1.996 9.780 ( -1.176 0.000 -0.619) 1.329 9.795 ( 1.188 0.000 -0.731) 1.395 10.150 ( -1.088 0.000 0.479) 1.188 10.189 ( 2.419 0.000 -0.559) 2.483 10.289 ( 7.244 0.000 -2.997) 7.839 10.466 ( 8.734 0.000 -8.883) 12.457 10.772 ( 10.936 0.000 2.021) 11.122 10.903 ( 6.669 0.000 -1.047) 6.751 11.464 ( 7.390 0.000 -1.642) 7.570 11.693 ( 3.184 0.000 -4.885) 5.831 12.487 ( 0.332 0.000 6.711) 6.719 12.749 ( -6.773 0.000 8.064) 10.531 12.829 ( -0.955 0.000 1.251) 1.574 12.937 ( -12.371 0.000 10.132) 15.991 13.028 ( -4.692 0.000 10.567) 11.562 13.680 ( -4.157 0.000 -1.190) 4.324 13.936 ( -2.041 0.000 -6.579) 6.888 14.023 ( 8.940 0.000 -8.644) 12.436 14.512 ( -6.002 0.000 5.010) 7.818 14.575 ( 0.709 0.000 0.034) 0.710 14.808 ( -3.534 0.000 6.872) 7.727 15.057 ( -5.171 0.000 -0.697) 5.218 15.310 ( -3.537 0.000 0.822) 3.632 15.364 ( 5.911 0.000 -3.090) 6.671 15.808 ( -10.825 0.000 4.758) 11.825 16.174 ( 4.538 0.000 -0.916) 4.630 16.431 ( 1.972 0.000 -2.199) 2.953 16.494 ( -7.240 0.000 -9.271) 11.763 17.018 ( -5.251 0.000 8.230) 9.762 17.170 ( 7.940 0.000 2.990) 8.485 17.326 ( 1.374 0.000 -1.700) 2.186 17.427 ( 9.225 0.000 -9.522) 13.258 17.889 ( -3.939 0.000 3.402) 5.205 17.975 ( -0.698 0.000 4.726) 4.777 18.060 ( -2.161 0.000 2.150) 3.048 18.498 ( 4.222 0.000 -6.450) 7.709 18.682 ( 5.184 0.000 1.724) 5.463 18.749 ( 3.236 0.000 0.444) 3.267 19.114 ( 0.012 0.000 0.170) 0.171 19.247 ( -0.620 0.000 -3.761) 3.812 19.341 ( 2.188 0.000 1.050) 2.427 19.661 ( 2.441 0.000 -3.708) 4.439 19.701 ( -0.719 0.000 -0.030) 0.719 19.788 ( 22.528 0.000 -22.433) 31.793 20.324 ( 1.768 0.000 0.743) 1.918 20.527 ( -1.034 0.000 -2.122) 2.361 20.691 ( 5.069 0.000 6.045) 7.889 21.092 ( -2.427 0.000 3.106) 3.942 21.227 ( -4.507 0.000 -3.119) 5.481 21.378 ( 2.807 0.000 -8.615) 9.061 21.991 ( -1.816 0.000 1.880) 2.614 22.077 ( -0.759 0.000 -0.528) 0.925 22.384 ( -12.294 0.000 14.512) 19.019 22.762 ( -1.970 0.000 -5.339) 5.691 ======================= Grid point 79 (27/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 23.714 0.000 10.576) 25.966 1.301 ( 22.203 0.000 16.070) 27.409 2.202 ( 22.339 0.000 3.679) 22.640 2.281 ( 4.261 0.000 -11.378) 12.149 2.359 ( 20.864 0.000 3.212) 21.110 2.419 ( 3.369 0.000 10.388) 10.921 2.764 ( 0.070 0.000 2.236) 2.237 2.829 ( 1.432 0.000 0.620) 1.560 2.911 ( 1.892 0.000 -3.585) 4.054 2.946 ( -0.057 0.000 -1.964) 1.965 3.013 ( 0.205 0.000 0.020) 0.206 3.103 ( -2.936 0.000 -3.206) 4.347 3.247 ( -3.274 0.000 2.180) 3.934 3.304 ( -4.505 0.000 -1.396) 4.716 3.337 ( -0.176 0.000 4.007) 4.011 3.439 ( -5.162 0.000 0.816) 5.226 3.528 ( 1.145 0.000 1.097) 1.585 3.684 ( -3.859 0.000 4.399) 5.852 3.900 ( -3.308 0.000 -5.798) 6.675 3.940 ( -4.459 0.000 -2.994) 5.371 4.000 ( -4.149 0.000 -3.963) 5.738 4.278 ( -0.109 0.000 -9.990) 9.991 4.521 ( -0.882 0.000 -4.362) 4.450 4.690 ( -4.273 0.000 1.039) 4.398 4.824 ( -3.162 0.000 -0.944) 3.300 4.930 ( -1.985 0.000 2.080) 2.876 5.047 ( 3.805 0.000 1.114) 3.965 5.155 ( 0.041 0.000 -0.654) 0.655 5.212 ( 3.759 0.000 -5.086) 6.324 5.407 ( 2.416 0.000 0.221) 2.426 5.477 ( -1.599 0.000 8.056) 8.213 5.680 ( 1.321 0.000 -1.968) 2.370 5.851 ( 2.387 0.000 1.161) 2.654 5.965 ( 3.164 0.000 -1.621) 3.555 6.178 ( 6.129 0.000 2.535) 6.633 6.198 ( 8.114 0.000 0.905) 8.165 6.229 ( 0.559 0.000 1.169) 1.295 6.385 ( 1.086 0.000 -0.744) 1.316 6.471 ( -2.937 0.000 2.268) 3.711 6.640 ( -9.020 0.000 -1.442) 9.134 7.371 ( 1.601 0.000 1.040) 1.909 7.523 ( 0.952 0.000 -3.663) 3.784 7.754 ( -4.538 0.000 5.053) 6.792 7.886 ( -2.471 0.000 -2.364) 3.420 7.977 ( 0.050 0.000 3.474) 3.475 8.068 ( -1.978 0.000 2.117) 2.897 8.312 ( 1.382 0.000 4.854) 5.047 8.477 ( -6.109 0.000 -0.015) 6.109 8.597 ( -10.699 0.000 -3.062) 11.128 8.663 ( 1.158 0.000 -2.580) 2.828 9.172 ( -1.176 0.000 -1.248) 1.715 9.243 ( -4.995 0.000 -0.632) 5.035 9.587 ( -1.508 0.000 -0.195) 1.520 9.621 ( 0.228 0.000 1.568) 1.584 9.763 ( -1.945 0.000 -1.255) 2.315 9.773 ( -1.459 0.000 -1.382) 2.010 10.183 ( 5.073 0.000 2.877) 5.832 10.286 ( 6.169 0.000 -0.693) 6.207 10.443 ( 8.196 0.000 -2.804) 8.663 10.603 ( 5.718 0.000 -7.113) 9.126 11.008 ( 12.262 0.000 1.264) 12.327 11.055 ( 8.444 0.000 0.411) 8.454 11.613 ( 7.557 0.000 -3.521) 8.337 11.769 ( 4.390 0.000 -5.295) 6.878 12.494 ( 0.314 0.000 6.748) 6.755 12.574 ( -6.470 0.000 21.001) 21.976 12.781 ( -3.901 0.000 -0.525) 3.936 12.839 ( 1.600 0.000 2.572) 3.030 13.107 ( 5.972 0.000 -0.472) 5.991 13.530 ( -10.980 0.000 -4.003) 11.687 13.906 ( 0.942 0.000 -0.032) 0.943 14.179 ( 6.196 0.000 -7.405) 9.656 14.441 ( -1.401 0.000 4.292) 4.515 14.580 ( -0.658 0.000 -0.932) 1.140 14.740 ( -3.729 0.000 3.942) 5.427 14.952 ( -5.147 0.000 -1.522) 5.368 15.208 ( -6.089 0.000 4.289) 7.448 15.427 ( 1.333 0.000 -0.368) 1.383 15.599 ( -10.425 0.000 2.996) 10.847 16.171 ( -8.311 0.000 -10.649) 13.508 16.424 ( 3.192 0.000 -1.194) 3.408 16.509 ( 5.637 0.000 -2.944) 6.360 16.904 ( -5.763 0.000 10.138) 11.661 17.332 ( 2.728 0.000 -2.963) 4.027 17.361 ( 7.346 0.000 -0.845) 7.395 17.565 ( 5.968 0.000 -7.621) 9.680 17.841 ( -0.718 0.000 4.788) 4.842 17.993 ( 1.506 0.000 3.017) 3.372 18.030 ( 0.557 0.000 6.907) 6.929 18.551 ( 0.377 0.000 -4.273) 4.290 18.791 ( 4.778 0.000 -0.715) 4.831 18.840 ( 6.339 0.000 0.440) 6.354 19.102 ( -1.284 0.000 0.066) 1.285 19.225 ( -1.427 0.000 -3.087) 3.401 19.352 ( -1.788 0.000 3.263) 3.721 19.664 ( -0.302 0.000 -0.056) 0.307 19.683 ( -0.532 0.000 0.406) 0.670 19.995 ( 0.220 0.000 -18.828) 18.829 20.386 ( 3.742 0.000 2.865) 4.713 20.543 ( 3.999 0.000 -4.502) 6.021 20.793 ( 4.353 0.000 2.693) 5.118 21.043 ( -2.511 0.000 4.697) 5.326 21.132 ( -4.516 0.000 -2.469) 5.147 21.415 ( 0.508 0.000 -10.147) 10.159 21.915 ( -4.814 0.000 6.390) 8.000 22.069 ( -0.203 0.000 -0.620) 0.652 22.258 ( -2.504 0.000 8.941) 9.285 22.676 ( -5.935 0.000 -4.914) 7.705 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 18.948 0.000 7.840) 20.506 1.752 ( 23.038 0.000 7.500) 24.228 2.215 ( -5.898 0.000 1.554) 6.099 2.387 ( 4.346 0.000 -2.362) 4.947 2.522 ( 8.490 0.000 -5.260) 9.987 2.686 ( -6.476 0.000 -2.781) 7.048 2.795 ( -5.079 0.000 -2.042) 5.474 2.836 ( 6.162 0.000 5.278) 8.113 2.892 ( -0.070 0.000 -1.354) 1.355 2.954 ( -5.450 0.000 1.395) 5.626 2.997 ( 1.089 0.000 -3.508) 3.673 3.144 ( 0.212 0.000 -2.110) 2.120 3.182 ( -3.486 0.000 -1.467) 3.783 3.233 ( 1.272 0.000 2.498) 2.803 3.332 ( -0.141 0.000 -1.246) 1.254 3.386 ( 5.499 0.000 5.078) 7.485 3.509 ( -1.945 0.000 2.001) 2.790 3.675 ( 1.674 0.000 2.948) 3.390 3.823 ( -1.549 0.000 -1.079) 1.888 3.879 ( -0.933 0.000 -1.192) 1.513 3.959 ( 1.010 0.000 -1.756) 2.026 4.308 ( 2.650 0.000 -1.543) 3.067 4.522 ( -1.742 0.000 -1.796) 2.502 4.633 ( 1.149 0.000 -7.162) 7.253 4.758 ( -3.650 0.000 1.935) 4.132 4.898 ( -1.900 0.000 -0.881) 2.095 5.131 ( 4.950 0.000 0.472) 4.973 5.188 ( 2.808 0.000 1.830) 3.352 5.266 ( 1.624 0.000 -1.699) 2.350 5.396 ( -1.702 0.000 3.426) 3.825 5.511 ( 3.313 0.000 1.586) 3.673 5.688 ( -0.225 0.000 -1.487) 1.504 5.853 ( -2.227 0.000 2.057) 3.031 6.000 ( 0.291 0.000 -0.170) 0.337 6.188 ( -1.142 0.000 2.490) 2.740 6.299 ( 1.492 0.000 0.811) 1.698 6.352 ( 2.075 0.000 1.241) 2.418 6.376 ( 2.006 0.000 -0.070) 2.008 6.457 ( 1.562 0.000 -1.352) 2.066 6.497 ( -2.815 0.000 -3.315) 4.349 7.411 ( 2.255 0.000 1.001) 2.467 7.526 ( -0.922 0.000 -1.603) 1.849 7.707 ( 0.054 0.000 4.472) 4.473 7.830 ( -3.009 0.000 -1.322) 3.287 7.986 ( 0.284 0.000 2.850) 2.865 8.023 ( -2.180 0.000 2.635) 3.420 8.309 ( -4.858 0.000 -0.827) 4.928 8.384 ( 0.521 0.000 3.946) 3.981 8.390 ( -10.254 0.000 -2.429) 10.538 8.679 ( -0.511 0.000 -2.351) 2.405 9.132 ( -2.994 0.000 -1.421) 3.314 9.151 ( -3.601 0.000 -0.727) 3.674 9.569 ( -0.713 0.000 0.097) 0.720 9.616 ( 0.225 0.000 0.909) 0.937 9.693 ( -4.073 0.000 -0.923) 4.176 9.773 ( 0.409 0.000 -2.479) 2.512 10.302 ( 6.276 0.000 2.732) 6.844 10.401 ( 5.163 0.000 0.106) 5.164 10.590 ( 6.665 0.000 -3.021) 7.318 10.694 ( 3.733 0.000 -5.020) 6.255 11.195 ( 6.849 0.000 1.723) 7.062 11.219 ( 7.887 0.000 2.091) 8.159 11.744 ( 5.713 0.000 -3.549) 6.726 11.847 ( 3.254 0.000 -5.231) 6.161 12.484 ( -0.550 0.000 13.083) 13.095 12.541 ( 1.626 0.000 6.358) 6.562 12.713 ( -2.993 0.000 -0.694) 3.072 12.908 ( 5.091 0.000 1.210) 5.232 13.218 ( 4.929 0.000 -2.176) 5.387 13.303 ( -10.991 0.000 -3.422) 11.511 13.971 ( 5.417 0.000 3.306) 6.346 14.242 ( 0.717 0.000 -1.942) 2.070 14.463 ( 3.155 0.000 0.365) 3.176 14.544 ( -2.855 0.000 -0.244) 2.865 14.668 ( -3.780 0.000 2.851) 4.734 14.860 ( -4.702 0.000 -0.743) 4.760 15.112 ( -2.977 0.000 3.342) 4.476 15.388 ( -8.454 0.000 -0.294) 8.459 15.457 ( -0.628 0.000 1.722) 1.833 15.956 ( -11.899 0.000 -11.282) 16.397 16.523 ( 5.250 0.000 0.647) 5.290 16.621 ( 4.849 0.000 -1.677) 5.131 16.828 ( -1.057 0.000 8.235) 8.302 17.302 ( -3.950 0.000 -5.278) 6.592 17.535 ( 8.132 0.000 -3.550) 8.873 17.675 ( 5.493 0.000 -5.148) 7.528 17.872 ( 3.771 0.000 6.155) 7.218 18.015 ( 2.174 0.000 3.541) 4.155 18.097 ( 4.518 0.000 6.883) 8.233 18.505 ( -4.978 0.000 -2.643) 5.636 18.859 ( 2.336 0.000 -1.154) 2.605 18.951 ( 3.939 0.000 0.966) 4.056 19.076 ( -0.696 0.000 0.264) 0.744 19.212 ( 0.547 0.000 -1.678) 1.765 19.282 ( -4.265 0.000 3.078) 5.260 19.663 ( -0.373 0.000 -0.556) 0.670 19.693 ( 1.319 0.000 0.569) 1.437 19.871 ( -10.224 0.000 -11.460) 15.358 20.492 ( 6.390 0.000 1.779) 6.633 20.642 ( 5.355 0.000 -3.981) 6.672 20.842 ( 0.873 0.000 2.977) 3.102 21.000 ( -2.132 0.000 -0.730) 2.254 21.072 ( -1.325 0.000 1.539) 2.031 21.386 ( -3.559 0.000 -8.221) 8.958 21.855 ( -0.829 0.000 6.726) 6.777 22.053 ( -1.711 0.000 -0.406) 1.759 22.237 ( -0.031 0.000 4.185) 4.185 22.555 ( -6.393 0.000 -4.047) 7.566 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 9.129 0.000 4.544) 10.198 2.075 ( -3.225 0.000 3.869) 5.037 2.173 ( 16.279 0.000 2.852) 16.527 2.475 ( 4.411 0.000 -0.951) 4.512 2.552 ( -4.630 0.000 -5.141) 6.919 2.656 ( 1.402 0.000 -1.094) 1.778 2.731 ( 2.266 0.000 -3.528) 4.194 2.800 ( -5.950 0.000 0.543) 5.975 2.809 ( -6.256 0.000 -0.811) 6.309 2.849 ( -2.736 0.000 4.165) 4.983 3.019 ( -7.323 0.000 -3.255) 8.014 3.046 ( -2.744 0.000 3.108) 4.146 3.097 ( -0.969 0.000 -2.182) 2.387 3.216 ( -2.529 0.000 -3.057) 3.967 3.324 ( -0.256 0.000 -4.404) 4.412 3.417 ( -1.791 0.000 -4.221) 4.586 3.555 ( -0.622 0.000 5.323) 5.359 3.661 ( -3.554 0.000 1.144) 3.734 3.877 ( 6.594 0.000 0.184) 6.596 3.962 ( 2.725 0.000 -3.660) 4.563 4.165 ( 21.946 0.000 4.587) 22.421 4.358 ( 2.000 0.000 1.462) 2.477 4.482 ( 0.239 0.000 -0.707) 0.746 4.651 ( -1.864 0.000 1.221) 2.228 4.701 ( -1.941 0.000 1.155) 2.258 4.862 ( -2.738 0.000 -1.774) 3.262 5.207 ( 1.469 0.000 4.571) 4.801 5.228 ( -0.225 0.000 3.996) 4.003 5.290 ( 3.010 0.000 -0.558) 3.061 5.378 ( -0.215 0.000 -2.321) 2.331 5.574 ( 3.416 0.000 -0.037) 3.416 5.690 ( 0.711 0.000 -2.151) 2.266 5.781 ( -4.059 0.000 1.777) 4.431 5.948 ( -6.099 0.000 0.000) 6.099 6.176 ( 0.095 0.000 0.097) 0.136 6.229 ( -3.783 0.000 -0.212) 3.789 6.368 ( 2.137 0.000 -0.074) 2.139 6.435 ( -0.712 0.000 -3.325) 3.401 6.497 ( 4.076 0.000 0.681) 4.133 6.534 ( 2.392 0.000 -0.537) 2.451 7.448 ( 1.384 0.000 1.275) 1.882 7.498 ( -1.682 0.000 0.973) 1.943 7.733 ( 1.660 0.000 2.499) 3.000 7.778 ( -2.138 0.000 0.723) 2.257 7.983 ( 0.592 0.000 2.829) 2.890 8.017 ( 1.095 0.000 0.726) 1.313 8.185 ( -6.347 0.000 -1.579) 6.540 8.220 ( -7.128 0.000 -1.682) 7.324 8.446 ( 4.540 0.000 3.038) 5.463 8.636 ( -3.799 0.000 -0.999) 3.928 9.081 ( -1.692 0.000 -0.451) 1.751 9.099 ( -2.137 0.000 -0.804) 2.284 9.550 ( -0.567 0.000 -0.266) 0.626 9.617 ( -3.514 0.000 -0.931) 3.635 9.658 ( 3.380 0.000 -0.290) 3.392 9.770 ( -1.109 0.000 -2.911) 3.115 10.408 ( 4.462 0.000 2.094) 4.929 10.470 ( 1.795 0.000 1.048) 2.079 10.694 ( 4.103 0.000 -3.285) 5.257 10.745 ( 1.430 0.000 -3.978) 4.228 11.297 ( 3.802 0.000 2.846) 4.749 11.324 ( 2.953 0.000 3.057) 4.250 11.830 ( 3.341 0.000 -3.547) 4.873 11.885 ( 0.671 0.000 -4.611) 4.659 12.496 ( 1.573 0.000 8.761) 8.902 12.569 ( -0.255 0.000 3.818) 3.826 12.696 ( 2.625 0.000 -0.249) 2.637 12.946 ( -4.575 0.000 -2.475) 5.202 13.182 ( 2.005 0.000 0.183) 2.013 13.294 ( 1.602 0.000 -2.165) 2.693 14.094 ( 6.563 0.000 3.742) 7.555 14.236 ( -1.053 0.000 1.524) 1.853 14.489 ( -1.862 0.000 1.684) 2.510 14.529 ( 2.173 0.000 -0.990) 2.388 14.596 ( -2.516 0.000 2.292) 3.403 14.763 ( -5.518 0.000 -0.533) 5.544 15.097 ( 0.872 0.000 1.075) 1.384 15.228 ( -6.897 0.000 1.232) 7.006 15.481 ( 2.871 0.000 -1.739) 3.357 15.742 ( -10.053 0.000 -9.013) 13.502 16.604 ( 3.068 0.000 1.862) 3.589 16.660 ( -0.204 0.000 3.418) 3.424 16.892 ( 6.791 0.000 0.847) 6.844 17.192 ( -7.080 0.000 -4.543) 8.412 17.665 ( 5.561 0.000 -4.521) 7.167 17.757 ( 2.205 0.000 -4.868) 5.345 17.969 ( 5.812 0.000 6.076) 8.408 18.090 ( 4.873 0.000 2.318) 5.396 18.155 ( 1.194 0.000 6.187) 6.302 18.380 ( -7.239 0.000 -0.957) 7.302 18.888 ( 1.131 0.000 0.264) 1.162 18.969 ( -1.793 0.000 2.906) 3.414 19.108 ( 4.321 0.000 -0.752) 4.386 19.228 ( -1.287 0.000 0.257) 1.312 19.245 ( 2.666 0.000 -0.785) 2.779 19.555 ( -11.432 0.000 -4.801) 12.399 19.722 ( 1.395 0.000 0.229) 1.414 19.748 ( -1.119 0.000 -1.064) 1.544 20.608 ( 5.525 0.000 -3.096) 6.333 20.723 ( 2.034 0.000 -3.604) 4.138 20.845 ( 0.344 0.000 3.343) 3.361 20.946 ( -3.358 0.000 -0.785) 3.448 21.091 ( 3.036 0.000 1.538) 3.404 21.289 ( -5.998 0.000 -4.195) 7.320 21.879 ( 2.781 0.000 4.272) 5.098 22.005 ( -3.021 0.000 0.822) 3.131 22.258 ( 2.299 0.000 1.269) 2.626 22.434 ( -6.063 0.000 -2.673) 6.626 ======================= Grid point 82 (30/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -0.783 0.000 3.270) 3.362 2.027 ( 0.783 0.000 3.270) 3.362 2.449 ( -9.355 0.000 -2.621) 9.715 2.449 ( 9.355 0.000 -2.621) 9.715 2.583 ( -5.859 0.000 -0.184) 5.862 2.583 ( 5.859 0.000 -0.184) 5.862 2.735 ( -0.771 0.000 2.813) 2.917 2.735 ( 0.771 0.000 2.813) 2.917 2.822 ( -0.808 0.000 1.738) 1.916 2.822 ( 0.808 0.000 1.738) 1.916 2.931 ( -3.889 0.000 -2.346) 4.542 2.931 ( 3.889 0.000 -2.346) 4.542 3.158 ( -3.567 0.000 -2.763) 4.512 3.158 ( 3.567 0.000 -2.763) 4.512 3.354 ( -3.512 0.000 -5.619) 6.626 3.354 ( 3.512 0.000 -5.619) 6.626 3.582 ( -3.485 0.000 2.952) 4.567 3.582 ( 3.485 0.000 2.952) 4.567 3.969 ( -2.252 0.000 -3.403) 4.080 3.969 ( 2.252 0.000 -3.403) 4.080 4.384 ( -1.105 0.000 0.751) 1.336 4.384 ( 1.105 0.000 0.751) 1.336 4.629 ( -3.733 0.000 1.714) 4.108 4.629 ( 3.733 0.000 1.714) 4.108 4.698 ( -11.254 0.000 5.285) 12.434 4.698 ( 11.254 0.000 5.285) 12.434 5.211 ( -0.620 0.000 3.873) 3.922 5.211 ( 0.620 0.000 3.873) 3.922 5.360 ( -2.451 0.000 -1.632) 2.945 5.360 ( 2.451 0.000 -1.632) 2.945 5.651 ( -4.359 0.000 -1.604) 4.644 5.651 ( 4.359 0.000 -1.604) 4.644 5.807 ( -6.639 0.000 -0.619) 6.667 5.807 ( 6.639 0.000 -0.619) 6.667 6.189 ( -1.123 0.000 -0.082) 1.126 6.189 ( 1.123 0.000 -0.082) 1.126 6.409 ( -1.858 0.000 -1.667) 2.497 6.409 ( 1.858 0.000 -1.667) 2.497 6.548 ( -0.994 0.000 0.184) 1.011 6.548 ( 0.994 0.000 0.184) 1.011 7.469 ( -1.161 0.000 1.537) 1.926 7.469 ( 1.161 0.000 1.537) 1.926 7.753 ( -0.680 0.000 2.205) 2.307 7.753 ( 0.680 0.000 2.205) 2.307 8.022 ( -2.082 0.000 0.573) 2.160 8.022 ( 2.082 0.000 0.573) 2.160 8.124 ( -1.813 0.000 -1.203) 2.176 8.124 ( 1.813 0.000 -1.203) 2.176 8.544 ( -5.335 0.000 1.077) 5.442 8.544 ( 5.335 0.000 1.077) 5.442 9.071 ( -0.582 0.000 -0.410) 0.712 9.071 ( 0.582 0.000 -0.410) 0.712 9.563 ( -1.873 0.000 -0.562) 1.955 9.563 ( 1.873 0.000 -0.562) 1.955 9.726 ( -3.227 0.000 -2.114) 3.858 9.726 ( 3.227 0.000 -2.114) 3.858 10.469 ( -1.763 0.000 1.631) 2.402 10.469 ( 1.763 0.000 1.631) 2.402 10.746 ( -1.300 0.000 -3.527) 3.759 10.746 ( 1.300 0.000 -3.527) 3.759 11.342 ( -0.839 0.000 3.342) 3.445 11.342 ( 0.839 0.000 3.342) 3.445 11.876 ( -1.476 0.000 -3.918) 4.187 11.876 ( 1.476 0.000 -3.918) 4.187 12.536 ( -2.307 0.000 5.175) 5.666 12.536 ( 2.307 0.000 5.175) 5.666 12.805 ( -7.591 0.000 -1.506) 7.739 12.805 ( 7.591 0.000 -1.506) 7.739 13.270 ( -4.005 0.000 -0.735) 4.071 13.270 ( 4.005 0.000 -0.735) 4.071 14.196 ( -3.542 0.000 2.795) 4.512 14.196 ( 3.542 0.000 2.795) 4.512 14.494 ( -2.473 0.000 2.287) 3.368 14.494 ( 2.473 0.000 2.287) 3.368 14.651 ( -5.601 0.000 -0.828) 5.661 14.651 ( 5.601 0.000 -0.828) 5.661 15.134 ( -3.087 0.000 1.354) 3.371 15.134 ( 3.087 0.000 1.354) 3.371 15.576 ( -6.940 0.000 -5.650) 8.950 15.576 ( 6.940 0.000 -5.650) 8.950 16.644 ( -1.283 0.000 3.413) 3.646 16.644 ( 1.283 0.000 3.413) 3.646 17.042 ( -8.143 0.000 -2.617) 8.553 17.042 ( 8.143 0.000 -2.617) 8.553 17.749 ( -2.804 0.000 -4.560) 5.353 17.749 ( 2.804 0.000 -4.560) 5.353 18.079 ( -4.933 0.000 4.752) 6.850 18.079 ( 4.933 0.000 4.752) 6.850 18.242 ( -6.944 0.000 1.427) 7.089 18.242 ( 6.944 0.000 1.427) 7.089 18.920 ( -2.415 0.000 2.675) 3.604 18.920 ( 2.415 0.000 2.675) 3.604 19.199 ( -3.014 0.000 -1.872) 3.548 19.199 ( 3.014 0.000 -1.872) 3.548 19.341 ( -8.700 0.000 -1.855) 8.896 19.341 ( 8.700 0.000 -1.855) 8.896 19.741 ( -0.517 0.000 0.318) 0.607 19.741 ( 0.517 0.000 0.318) 0.607 20.700 ( -3.716 0.000 -5.225) 6.412 20.700 ( 3.716 0.000 -5.225) 6.412 20.881 ( -3.067 0.000 2.665) 4.063 20.881 ( 3.067 0.000 2.665) 4.063 21.175 ( -5.391 0.000 -0.845) 5.457 21.175 ( 5.391 0.000 -0.845) 5.457 21.942 ( -3.408 0.000 2.238) 4.077 21.942 ( 3.408 0.000 2.238) 4.077 22.327 ( -4.791 0.000 -0.884) 4.871 22.327 ( 4.791 0.000 -0.884) 4.871 ======================= Grid point 88 (31/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.000 20.929 19.801) 28.812 0.851 ( 0.000 20.109 22.780) 30.386 1.450 ( 0.000 32.515 37.064) 49.305 2.089 ( 0.000 6.230 -15.747) 16.935 2.273 ( 0.000 -10.056 8.429) 13.121 2.316 ( 0.000 5.168 -12.804) 13.808 2.489 ( 0.000 -12.810 4.317) 13.518 2.741 ( 0.000 -2.580 0.011) 2.580 2.880 ( 0.000 3.907 1.346) 4.132 2.990 ( 0.000 -1.194 5.460) 5.589 3.059 ( 0.000 -2.973 -6.670) 7.302 3.067 ( 0.000 -2.778 2.128) 3.500 3.344 ( 0.000 -3.130 4.658) 5.612 3.357 ( 0.000 2.362 0.660) 2.453 3.430 ( 0.000 0.252 -0.314) 0.403 3.488 ( 0.000 1.776 2.656) 3.195 3.553 ( 0.000 2.438 1.157) 2.699 3.846 ( 0.000 0.791 3.124) 3.223 3.922 ( 0.000 3.260 -8.488) 9.092 3.953 ( 0.000 -9.106 -2.295) 9.391 4.149 ( 0.000 0.762 -12.662) 12.685 4.255 ( 0.000 -6.913 -9.431) 11.694 4.511 ( 0.000 -8.863 -3.804) 9.645 4.750 ( 0.000 -2.812 5.749) 6.400 4.789 ( 0.000 -3.624 -3.189) 4.827 5.001 ( 0.000 5.702 -2.146) 6.093 5.109 ( 0.000 3.498 5.026) 6.124 5.221 ( 0.000 3.864 -5.592) 6.797 5.312 ( 0.000 9.190 -4.198) 10.103 5.493 ( 0.000 9.172 -4.478) 10.207 5.570 ( 0.000 -1.471 1.582) 2.160 5.618 ( 0.000 0.313 -0.811) 0.869 5.676 ( 0.000 6.297 -2.446) 6.755 5.821 ( 0.000 5.388 2.166) 5.807 5.905 ( 0.000 -5.006 4.172) 6.517 6.043 ( 0.000 0.937 -0.767) 1.211 6.254 ( 0.000 -3.163 -2.435) 3.992 6.334 ( 0.000 -0.061 -1.098) 1.100 6.535 ( 0.000 -5.044 8.103) 9.545 6.703 ( 0.000 -8.032 4.887) 9.402 7.391 ( 0.000 3.797 0.649) 3.852 7.510 ( 0.000 1.453 -2.326) 2.743 7.862 ( 0.000 -1.803 2.287) 2.912 7.918 ( 0.000 1.288 -0.917) 1.581 8.062 ( 0.000 -4.262 1.586) 4.548 8.116 ( 0.000 -1.864 -0.134) 1.868 8.276 ( 0.000 -0.825 5.294) 5.358 8.443 ( 0.000 0.318 0.442) 0.544 8.705 ( 0.000 -7.844 0.643) 7.870 8.998 ( 0.000 5.354 -5.594) 7.743 9.106 ( 0.000 -5.540 1.635) 5.776 9.216 ( 0.000 -0.967 -0.689) 1.188 9.621 ( 0.000 2.180 -1.076) 2.431 9.666 ( 0.000 -0.337 1.754) 1.786 9.739 ( 0.000 0.304 -0.319) 0.441 9.803 ( 0.000 -0.339 0.067) 0.346 10.091 ( 0.000 -1.516 -1.033) 1.835 10.222 ( 0.000 -1.813 -1.600) 2.418 10.245 ( 0.000 2.461 -1.778) 3.037 10.324 ( 0.000 0.504 -2.436) 2.487 10.795 ( 0.000 11.170 -3.318) 11.653 10.892 ( 0.000 5.940 -1.604) 6.153 11.339 ( 0.000 -4.057 2.264) 4.646 11.583 ( 0.000 -7.096 -2.754) 7.612 12.428 ( 0.000 -5.446 8.793) 10.342 12.644 ( 0.000 -13.907 15.660) 20.944 12.806 ( 0.000 0.595 -0.891) 1.072 12.934 ( 0.000 -2.178 -0.292) 2.198 13.227 ( 0.000 -4.472 13.108) 13.850 13.582 ( 0.000 -2.170 0.359) 2.199 13.984 ( 0.000 3.411 -9.638) 10.224 14.062 ( 0.000 4.663 -8.578) 9.763 14.527 ( 0.000 -0.839 4.437) 4.515 14.850 ( 0.000 3.459 3.744) 5.098 14.878 ( 0.000 4.391 -1.053) 4.515 15.141 ( 0.000 3.079 0.372) 3.102 15.180 ( 0.000 -0.403 -1.028) 1.104 15.356 ( 0.000 -0.150 -2.871) 2.874 15.952 ( 0.000 2.264 2.137) 3.113 16.150 ( 0.000 -0.753 -3.172) 3.260 16.401 ( 0.000 -2.655 -2.040) 3.348 16.562 ( 0.000 -0.220 -3.769) 3.776 16.923 ( 0.000 -12.356 6.791) 14.100 17.013 ( 0.000 -5.143 2.844) 5.877 17.248 ( 0.000 6.303 1.090) 6.397 17.358 ( 0.000 1.218 -0.026) 1.218 17.783 ( 0.000 -6.154 3.585) 7.122 17.914 ( 0.000 -8.080 -2.370) 8.421 18.135 ( 0.000 2.538 5.976) 6.493 18.486 ( 0.000 0.880 -4.553) 4.637 18.641 ( 0.000 1.984 2.138) 2.917 18.772 ( 0.000 5.779 -0.810) 5.835 19.209 ( 0.000 -2.039 -1.274) 2.405 19.295 ( 0.000 1.221 0.156) 1.231 19.312 ( 0.000 -0.301 0.053) 0.306 19.351 ( 0.000 5.478 -5.521) 7.777 19.733 ( 0.000 2.968 0.259) 2.979 19.992 ( 0.000 19.905 -15.243) 25.071 20.330 ( 0.000 0.559 -0.913) 1.071 20.533 ( 0.000 3.043 -3.280) 4.474 20.754 ( 0.000 8.742 3.726) 9.503 21.128 ( 0.000 0.531 -0.088) 0.539 21.273 ( 0.000 0.464 -4.298) 4.323 21.354 ( 0.000 0.961 -6.867) 6.934 21.980 ( 0.000 -2.180 1.684) 2.755 22.032 ( 0.000 -5.045 3.612) 6.204 22.522 ( 0.000 -7.021 6.955) 9.883 22.677 ( 0.000 -3.289 -0.435) 3.318 ======================= Grid point 89 (32/72) ======================= q-point: ( 0.10 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 14.853 14.611 17.185) 27.007 1.049 ( 15.695 14.367 20.327) 29.427 1.758 ( 27.568 24.704 26.082) 45.283 2.159 ( 6.327 4.564 -14.891) 16.811 2.292 ( 2.645 -7.579 8.419) 11.632 2.344 ( 2.247 4.828 -10.027) 11.353 2.544 ( 4.919 -12.376 3.027) 13.658 2.771 ( 3.300 -2.584 -0.684) 4.247 2.876 ( -0.596 3.013 1.106) 3.264 2.995 ( -0.816 -2.013 1.205) 2.484 3.045 ( -0.069 1.601 1.644) 2.296 3.070 ( 0.175 -5.183 -3.388) 6.195 3.296 ( -3.347 -2.423 5.465) 6.851 3.340 ( -1.513 3.414 -0.673) 3.795 3.405 ( -2.668 -0.045 -0.368) 2.693 3.501 ( 0.264 -0.299 1.351) 1.408 3.555 ( 0.192 4.052 2.601) 4.819 3.784 ( -4.974 0.473 1.257) 5.152 3.909 ( -1.055 -1.778 -6.630) 6.945 3.959 ( -0.668 -4.426 -2.314) 5.039 4.092 ( -5.971 -0.864 -7.024) 9.260 4.269 ( 1.795 -2.707 -12.751) 13.158 4.507 ( -0.876 -6.435 -3.291) 7.281 4.709 ( -3.353 -1.899 6.315) 7.398 4.798 ( 1.601 -5.840 -5.579) 8.233 5.021 ( -0.147 3.921 0.533) 3.960 5.074 ( -5.055 4.595 -0.236) 6.835 5.202 ( 1.166 5.246 -2.613) 5.975 5.291 ( -0.939 8.988 -2.122) 9.283 5.423 ( -2.281 6.853 -0.383) 7.233 5.540 ( -0.823 0.717 4.916) 5.036 5.654 ( 2.970 1.535 0.557) 3.389 5.792 ( 3.828 1.599 -2.923) 5.075 5.879 ( 5.724 1.466 -1.443) 6.083 5.986 ( 7.051 -3.330 1.518) 7.944 6.085 ( 4.072 0.306 -1.083) 4.225 6.244 ( -1.242 -1.651 -0.061) 2.067 6.340 ( 0.865 -1.012 0.324) 1.370 6.507 ( -2.759 -3.281 5.987) 7.363 6.672 ( -3.457 -9.187 2.081) 10.034 7.381 ( -0.589 2.844 1.038) 3.084 7.525 ( 1.171 1.849 -2.692) 3.470 7.830 ( -3.146 -1.356 3.075) 4.603 7.916 ( -0.324 0.938 -1.231) 1.581 8.021 ( -2.862 -0.739 2.096) 3.623 8.101 ( -1.142 0.127 0.230) 1.172 8.272 ( 0.193 -1.895 5.177) 5.516 8.500 ( 4.118 0.007 -0.508) 4.149 8.612 ( -7.635 -6.709 0.300) 10.168 8.876 ( -9.353 4.702 -4.101) 11.243 9.090 ( -1.959 -7.280 2.286) 7.877 9.244 ( -0.080 -4.251 -1.125) 4.398 9.555 ( -0.337 -0.199 2.475) 2.506 9.706 ( -0.330 1.459 -1.222) 1.931 9.767 ( 1.121 1.130 -1.132) 1.954 9.827 ( 1.363 1.761 -1.443) 2.653 10.138 ( 3.594 -1.011 -1.110) 3.895 10.199 ( 0.141 1.874 0.441) 1.931 10.319 ( 6.158 1.020 -3.055) 6.949 10.421 ( 7.784 -3.172 -4.956) 9.758 10.881 ( 8.352 9.240 -1.473) 12.542 10.958 ( 6.200 5.463 -1.018) 8.326 11.434 ( 8.109 -3.315 -1.510) 8.890 11.627 ( 4.262 -6.286 -3.460) 8.346 12.432 ( 0.434 -5.268 8.928) 10.376 12.587 ( -4.480 -9.714 17.035) 20.115 12.820 ( 0.756 0.517 -0.446) 1.018 12.921 ( -2.641 -1.945 1.664) 3.678 13.137 ( -3.221 7.969 7.887) 11.666 13.624 ( 1.207 -3.693 0.038) 3.885 13.944 ( -4.985 0.660 -6.853) 8.500 14.040 ( 0.556 0.436 -8.676) 8.705 14.515 ( -2.093 0.328 4.894) 5.332 14.684 ( -7.544 5.510 2.247) 9.609 14.836 ( -2.351 4.337 2.807) 5.676 15.067 ( -5.643 0.908 -1.224) 5.845 15.280 ( 0.489 -1.778 1.563) 2.417 15.368 ( 2.034 -0.187 -1.850) 2.756 15.855 ( -9.308 4.224 2.567) 10.539 16.175 ( 2.881 -0.541 -3.314) 4.424 16.384 ( 0.721 -2.599 -2.830) 3.910 16.513 ( -4.374 0.807 -4.581) 6.385 16.935 ( -1.551 -7.773 6.984) 10.565 17.087 ( 5.478 -7.337 0.961) 9.207 17.357 ( 3.954 1.323 -1.981) 4.616 17.411 ( 9.050 1.840 -2.008) 9.451 17.794 ( 1.273 -5.156 3.797) 6.528 17.946 ( 1.585 -5.299 -1.405) 5.706 18.115 ( -1.089 5.384 4.360) 7.013 18.516 ( 2.513 0.208 -5.605) 6.146 18.673 ( 3.145 -0.738 2.645) 4.175 18.797 ( 2.357 4.459 -0.740) 5.097 19.142 ( -3.647 1.564 0.383) 3.987 19.230 ( -1.712 -0.569 -2.315) 2.935 19.322 ( 0.932 -1.804 1.339) 2.432 19.491 ( 4.568 -6.742 -3.173) 8.740 19.747 ( 1.355 4.804 0.767) 5.050 20.052 ( 3.925 11.092 -11.288) 16.305 20.347 ( 1.600 1.500 -3.153) 3.841 20.548 ( 1.221 3.238 -5.259) 6.296 20.773 ( 2.124 6.981 3.413) 8.056 21.097 ( -2.411 0.690 2.648) 3.647 21.239 ( -3.972 1.218 -4.424) 6.069 21.377 ( 2.083 -0.185 -8.575) 8.826 21.970 ( -2.106 -2.175 2.578) 3.977 22.014 ( -0.747 -5.226 4.156) 6.719 22.396 ( -6.942 1.472 8.676) 11.209 22.705 ( -0.737 -5.021 -3.400) 6.108 ======================= Grid point 90 (33/72) ======================= q-point: ( 0.20 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 22.211 5.921 11.067) 25.512 1.397 ( 19.443 10.132 14.203) 26.123 2.210 ( 9.282 -0.789 -1.800) 9.488 2.293 ( 5.009 1.931 -3.558) 6.441 2.360 ( 4.073 -2.352 3.766) 6.025 2.519 ( 22.461 10.616 5.081) 25.358 2.640 ( 4.759 -9.877 2.325) 11.208 2.817 ( -1.554 -0.671 0.871) 1.904 2.879 ( 0.724 -1.661 -3.984) 4.377 2.957 ( 0.195 0.353 0.067) 0.409 3.040 ( -1.983 -0.185 -4.087) 4.546 3.098 ( 3.339 0.106 -0.127) 3.343 3.244 ( -1.907 -1.642 5.027) 5.622 3.291 ( -3.949 1.367 -0.102) 4.180 3.348 ( -2.349 1.214 -1.943) 3.281 3.466 ( -3.794 2.114 0.731) 4.404 3.567 ( 0.889 3.654 2.007) 4.263 3.685 ( -4.929 -0.603 3.189) 5.902 3.871 ( -3.186 -2.946 -4.438) 6.207 3.925 ( -2.356 -2.368 -1.348) 3.602 3.964 ( -5.415 -1.855 -3.579) 6.751 4.318 ( 2.863 4.130 -10.007) 11.198 4.479 ( -0.990 -4.475 -1.936) 4.975 4.648 ( -2.788 -3.251 2.271) 4.848 4.853 ( 2.680 -3.219 -4.666) 6.270 4.907 ( -5.488 3.036 0.809) 6.324 5.048 ( -1.525 2.479 -1.826) 3.435 5.218 ( 1.176 4.483 -0.778) 4.700 5.328 ( 3.607 8.639 -1.192) 9.438 5.416 ( -0.174 2.796 2.406) 3.693 5.518 ( -0.504 3.408 5.574) 6.553 5.701 ( 1.509 2.339 -2.269) 3.591 5.849 ( 2.017 0.095 0.948) 2.230 5.967 ( 2.886 -0.011 -1.549) 3.276 6.140 ( 8.174 -4.043 0.830) 9.157 6.184 ( 4.636 -1.038 0.081) 4.752 6.219 ( 0.599 -1.224 2.369) 2.733 6.354 ( -0.219 -3.098 1.407) 3.409 6.448 ( -2.493 -2.253 0.928) 3.486 6.572 ( -6.330 -6.500 -0.791) 9.107 7.383 ( 0.908 1.551 1.510) 2.347 7.549 ( 1.194 2.091 -2.921) 3.786 7.759 ( -3.496 0.450 4.287) 5.550 7.892 ( -2.123 0.475 -1.395) 2.584 7.990 ( -0.530 1.005 1.900) 2.214 8.073 ( -1.989 1.065 1.494) 2.706 8.286 ( 0.906 -2.988 3.695) 4.837 8.454 ( -7.079 -2.774 0.838) 7.649 8.537 ( -3.663 -2.616 -2.019) 4.934 8.721 ( -4.504 3.608 -2.924) 6.469 9.046 ( -2.175 -9.873 1.150) 10.175 9.186 ( -4.866 -6.284 -1.471) 8.083 9.578 ( 1.767 0.499 1.886) 2.632 9.679 ( -2.138 3.425 -0.373) 4.055 9.777 ( -0.133 1.542 -1.602) 2.228 9.831 ( -0.832 4.708 -2.101) 5.222 10.197 ( 4.276 1.212 1.899) 4.833 10.282 ( 6.211 -0.169 -0.085) 6.214 10.447 ( 7.065 -0.088 -2.779) 7.592 10.562 ( 6.336 -3.814 -5.648) 9.306 11.081 ( 11.034 6.843 0.105) 12.984 11.101 ( 8.018 4.830 0.321) 9.366 11.595 ( 7.949 -1.987 -3.410) 8.874 11.728 ( 5.609 -4.211 -4.781) 8.489 12.443 ( 0.655 -4.386 10.322) 11.234 12.519 ( -1.904 -4.078 13.791) 14.507 12.804 ( -3.396 1.679 0.191) 3.793 12.872 ( 0.432 1.839 1.839) 2.636 13.167 ( 4.413 6.609 1.002) 8.010 13.556 ( -8.679 2.367 -3.162) 9.535 13.861 ( -1.141 -4.100 -0.646) 4.304 14.096 ( 3.686 -7.463 -5.867) 10.183 14.471 ( -0.936 2.416 3.974) 4.744 14.623 ( -1.358 2.950 -0.444) 3.277 14.771 ( -4.039 3.522 2.493) 5.911 14.957 ( -5.264 0.351 -1.905) 5.609 15.217 ( -5.146 1.006 4.465) 6.887 15.394 ( -0.002 -2.636 1.106) 2.858 15.664 ( -9.632 5.818 1.002) 11.297 16.135 ( -8.449 -3.719 -10.553) 14.020 16.427 ( 4.310 0.474 -0.460) 4.360 16.513 ( 4.561 0.230 -1.592) 4.837 16.870 ( -3.994 -2.788 8.294) 9.618 17.191 ( 4.473 -9.340 -1.444) 10.456 17.447 ( 6.270 3.423 -1.599) 7.320 17.573 ( 6.662 1.650 -5.266) 8.651 17.831 ( 2.261 -2.471 4.048) 5.254 17.944 ( -0.618 -1.031 2.492) 2.767 18.123 ( 1.849 6.678 3.511) 7.768 18.547 ( -0.132 -0.982 -4.853) 4.953 18.755 ( 4.927 -3.547 1.715) 6.309 18.848 ( 2.614 0.571 -0.746) 2.778 19.109 ( -0.576 -0.237 0.077) 0.627 19.187 ( -2.455 -1.714 -0.909) 3.129 19.333 ( -0.184 -2.107 1.496) 2.591 19.520 ( -0.341 -10.041 -2.191) 10.283 19.764 ( 0.078 7.493 1.325) 7.610 20.101 ( 0.048 7.028 -10.235) 12.416 20.367 ( 1.388 -1.794 2.822) 3.620 20.589 ( 3.047 3.341 -6.475) 7.897 20.823 ( 2.440 2.701 2.341) 4.328 21.048 ( -2.673 1.288 3.693) 4.737 21.152 ( -4.025 1.644 -2.842) 5.194 21.400 ( -0.404 -1.825 -9.408) 9.592 21.900 ( -3.555 -1.273 6.610) 7.612 22.022 ( 0.829 -3.645 1.338) 3.970 22.311 ( -2.692 4.336 5.127) 7.234 22.643 ( -4.968 -3.323 -4.200) 7.305 ======================= Grid point 91 (34/72) ======================= q-point: ( 0.30 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 19.371 4.439 5.838) 20.712 1.778 ( 20.235 4.691 8.823) 22.568 2.225 ( -4.877 0.252 1.282) 5.049 2.346 ( 4.216 -4.041 0.385) 5.853 2.496 ( 7.191 -1.645 -3.976) 8.380 2.648 ( -0.922 -6.913 -0.456) 6.990 2.736 ( -6.145 -0.115 -4.196) 7.442 2.822 ( -1.859 -3.356 -1.111) 3.994 2.907 ( 4.687 2.009 0.774) 5.158 2.965 ( -4.435 1.201 -1.549) 4.849 2.999 ( 0.564 0.230 -1.107) 1.264 3.152 ( -2.841 -0.673 -1.907) 3.487 3.218 ( -2.606 1.947 1.016) 3.408 3.270 ( 0.759 1.531 -0.402) 1.755 3.321 ( -0.082 2.647 -2.355) 3.544 3.430 ( 4.387 3.310 5.195) 7.563 3.520 ( -1.576 2.020 3.454) 4.301 3.677 ( 2.945 -0.103 1.289) 3.216 3.799 ( -2.459 -2.190 -1.130) 3.481 3.905 ( 0.695 -2.652 -1.170) 2.981 3.919 ( 2.135 1.873 -0.240) 2.850 4.357 ( 1.409 4.958 -0.172) 5.157 4.497 ( 1.386 -3.759 -1.167) 4.173 4.617 ( 0.689 -0.883 -4.138) 4.286 4.784 ( -4.700 2.932 -1.637) 5.776 4.917 ( -1.069 0.131 3.929) 4.074 5.045 ( 3.580 -2.611 -5.048) 6.717 5.250 ( 1.026 1.562 -2.935) 3.479 5.353 ( -1.449 6.509 4.294) 7.931 5.421 ( 1.585 3.619 2.672) 4.770 5.537 ( 1.760 2.643 1.811) 3.655 5.714 ( 0.211 3.159 -2.267) 3.894 5.856 ( -1.259 0.684 1.799) 2.300 5.991 ( -0.596 -1.226 0.027) 1.363 6.178 ( -0.763 -0.867 1.945) 2.262 6.267 ( 2.559 -2.936 0.495) 3.925 6.316 ( -1.022 -4.729 0.711) 4.890 6.339 ( 5.726 -2.470 0.347) 6.246 6.435 ( 0.864 -2.575 -0.810) 2.834 6.476 ( -1.913 -2.208 -2.873) 4.098 7.414 ( 2.111 0.983 1.808) 2.948 7.561 ( -0.231 2.963 -1.507) 3.333 7.722 ( 0.125 1.276 3.741) 3.954 7.846 ( -2.571 1.420 -1.212) 3.177 7.980 ( -0.743 -1.302 2.431) 2.856 8.020 ( -3.168 0.628 2.334) 3.985 8.258 ( -4.848 -5.194 -0.584) 7.129 8.357 ( -6.508 -3.040 -1.295) 7.298 8.410 ( -2.199 2.638 2.699) 4.368 8.689 ( -1.140 1.031 -2.323) 2.785 9.012 ( -1.338 -9.590 -0.001) 9.683 9.095 ( -4.018 -6.293 -1.465) 7.608 9.615 ( 2.099 2.319 0.595) 3.184 9.638 ( -1.878 4.482 0.536) 4.889 9.750 ( -2.638 3.722 -1.194) 4.716 9.816 ( -0.306 4.453 -2.362) 5.051 10.299 ( 5.569 -0.302 2.493) 6.108 10.394 ( 4.845 -0.862 0.386) 4.936 10.580 ( 6.352 -1.081 -2.957) 7.090 10.664 ( 4.207 -3.045 -4.786) 7.062 11.239 ( 6.241 4.478 1.660) 7.859 11.269 ( 7.459 5.213 1.341) 9.198 11.728 ( 5.648 -1.708 -3.311) 6.766 11.822 ( 3.752 -2.613 -5.136) 6.876 12.458 ( 1.106 -2.108 11.500) 11.744 12.523 ( 2.041 -1.984 6.492) 7.089 12.733 ( -3.174 2.185 -0.069) 3.854 12.920 ( 3.415 0.428 0.260) 3.452 13.250 ( 2.413 4.055 -1.286) 4.891 13.364 ( -7.701 5.888 -3.342) 10.254 13.901 ( 4.336 -6.749 3.346) 8.691 14.143 ( 0.846 -9.167 -1.587) 9.342 14.489 ( 2.194 2.003 0.805) 3.078 14.584 ( -2.696 3.289 -0.370) 4.269 14.702 ( -2.881 3.208 1.905) 4.714 14.865 ( -4.520 0.410 -1.191) 4.692 15.128 ( -3.030 1.749 3.915) 5.250 15.357 ( -4.242 -2.527 1.631) 5.200 15.509 ( -5.426 4.672 -0.360) 7.170 15.926 ( -11.577 -3.069 -10.568) 15.972 16.526 ( 5.130 0.311 0.900) 5.217 16.618 ( 4.841 -0.618 -0.344) 4.892 16.821 ( -0.101 -0.023 6.535) 6.536 17.228 ( -0.975 -6.848 -3.632) 7.812 17.582 ( 6.728 3.704 -3.395) 8.397 17.672 ( 3.908 0.235 -5.522) 6.770 17.883 ( 3.607 -0.485 5.805) 6.852 17.963 ( 2.549 -2.306 4.522) 5.680 18.179 ( 3.692 6.990 3.013) 8.460 18.500 ( -4.470 -0.629 -2.926) 5.380 18.838 ( 3.070 -3.675 0.656) 4.833 18.894 ( 2.287 -4.024 0.518) 4.658 19.106 ( 0.527 0.014 -0.445) 0.689 19.153 ( -0.958 -1.407 0.473) 1.767 19.306 ( -2.371 0.833 0.640) 2.594 19.496 ( -2.425 -11.500 -2.630) 12.044 19.769 ( 0.987 7.729 1.241) 7.890 20.028 ( -6.242 10.581 -7.181) 14.230 20.438 ( 5.118 -4.935 3.127) 7.767 20.649 ( 2.701 -0.486 -4.383) 5.172 20.858 ( 1.273 1.194 2.056) 2.697 21.000 ( -2.098 1.535 0.045) 2.601 21.099 ( -1.524 1.741 0.156) 2.319 21.352 ( -4.372 -3.638 -7.069) 9.073 21.868 ( 0.443 1.398 5.942) 6.120 22.031 ( -0.058 -1.847 0.566) 1.932 22.271 ( -1.507 3.114 2.621) 4.341 22.534 ( -5.982 -2.141 -3.698) 7.351 ======================= Grid point 92 (35/72) ======================= q-point: ( 0.40 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 8.148 4.825 3.665) 10.154 2.099 ( -0.736 2.326 3.305) 4.108 2.176 ( 13.855 0.324 2.997) 14.179 2.436 ( 4.416 -3.599 0.201) 5.701 2.560 ( -0.932 -0.752 -2.211) 2.514 2.624 ( -2.220 -1.143 -1.243) 2.789 2.684 ( 4.493 -3.565 -4.657) 7.388 2.771 ( -4.282 -2.131 -1.063) 4.900 2.838 ( -5.069 2.438 -0.767) 5.677 2.886 ( -3.428 2.208 1.228) 4.258 3.008 ( -4.120 -0.596 -4.917) 6.442 3.060 ( -2.956 0.286 3.665) 4.717 3.133 ( -5.900 3.361 1.036) 6.869 3.209 ( -4.253 -1.200 -2.701) 5.179 3.319 ( 2.014 1.688 -4.696) 5.381 3.442 ( 0.181 0.763 -0.328) 0.850 3.562 ( -1.353 1.422 1.182) 2.291 3.662 ( -3.755 -0.023 1.960) 4.236 3.864 ( 5.484 -1.825 0.510) 5.802 3.924 ( 1.279 -3.813 -3.088) 5.070 4.175 ( 20.525 1.585 3.258) 20.842 4.396 ( 2.877 3.812 3.478) 5.908 4.493 ( -0.364 0.197 0.219) 0.468 4.662 ( 1.467 0.061 -2.257) 2.693 4.700 ( -3.421 1.885 0.269) 3.915 4.861 ( -4.440 -0.325 3.505) 5.666 5.133 ( 3.880 -3.447 -0.405) 5.205 5.234 ( -2.366 -2.621 -0.132) 3.533 5.342 ( 0.768 4.377 1.180) 4.598 5.425 ( -1.806 4.602 1.716) 5.233 5.579 ( 3.386 0.299 -0.216) 3.406 5.719 ( -0.121 2.743 -2.552) 3.748 5.824 ( -1.152 4.404 1.285) 4.730 5.934 ( -4.892 -0.797 0.283) 4.964 6.178 ( 0.726 0.386 0.418) 0.923 6.232 ( -2.310 0.424 -0.083) 2.350 6.339 ( 1.698 -3.474 -0.836) 3.956 6.390 ( -0.413 -3.968 -2.756) 4.849 6.483 ( 3.472 -2.687 0.529) 4.422 6.502 ( 2.344 -2.633 -0.093) 3.527 7.456 ( 2.151 1.586 2.000) 3.338 7.537 ( -1.991 3.848 0.514) 4.363 7.751 ( 1.971 1.520 2.161) 3.296 7.799 ( -2.008 2.095 0.636) 2.971 7.954 ( -0.774 -3.301 2.799) 4.397 7.992 ( 0.136 -2.103 0.632) 2.200 8.152 ( -5.156 -3.662 -1.184) 6.434 8.195 ( -7.581 -2.483 -1.633) 8.142 8.461 ( 4.517 1.953 2.601) 5.566 8.644 ( -3.575 0.951 -1.130) 3.868 8.996 ( -0.325 -7.677 -0.487) 7.699 9.035 ( -2.316 -6.131 -1.205) 6.663 9.612 ( -0.575 5.603 0.568) 5.661 9.648 ( -0.075 3.466 -1.171) 3.659 9.712 ( 0.458 4.546 0.032) 4.569 9.804 ( -1.353 3.287 -2.608) 4.409 10.396 ( 4.206 -1.271 2.248) 4.935 10.457 ( 1.591 -1.477 1.268) 2.514 10.681 ( 3.978 -1.367 -3.344) 5.374 10.723 ( 1.809 -2.272 -4.228) 5.130 11.334 ( 3.588 3.992 2.590) 5.960 11.364 ( 2.536 4.237 2.490) 5.530 11.812 ( 3.188 -1.950 -3.314) 4.995 11.865 ( 0.691 -2.235 -4.414) 4.996 12.492 ( 2.332 -0.269 7.973) 8.311 12.564 ( 0.807 -0.641 4.185) 4.310 12.706 ( 1.463 1.167 -0.287) 1.893 12.924 ( -4.697 -2.227 -2.350) 5.704 13.242 ( 2.414 6.090 0.318) 6.558 13.349 ( 1.045 5.578 -2.148) 6.068 13.999 ( 5.274 -8.714 3.517) 10.776 14.134 ( -1.543 -9.458 0.874) 9.623 14.518 ( 0.121 2.152 1.027) 2.387 14.556 ( 0.481 2.778 0.901) 2.959 14.655 ( -1.617 4.767 0.675) 5.079 14.774 ( -4.902 1.079 -0.552) 5.050 15.112 ( 0.923 1.579 1.723) 2.512 15.245 ( -6.046 1.454 1.368) 6.367 15.473 ( 1.393 -0.449 -1.708) 2.250 15.716 ( -9.914 -2.642 -8.306) 13.201 16.608 ( 3.227 0.382 2.029) 3.831 16.664 ( 0.264 0.271 3.622) 3.642 16.890 ( 6.549 0.021 0.365) 6.559 17.160 ( -5.524 -3.495 -3.862) 7.593 17.675 ( 3.253 2.019 -3.809) 5.400 17.733 ( 1.804 -1.994 -4.033) 4.848 17.972 ( 5.155 -2.345 4.840) 7.450 18.023 ( 2.975 -2.513 3.775) 5.423 18.248 ( 3.131 7.131 2.094) 8.065 18.399 ( -5.356 2.009 -1.195) 5.844 18.873 ( 1.296 -3.077 1.106) 3.517 18.928 ( 0.469 -4.372 2.890) 5.262 19.134 ( 2.094 2.142 -1.417) 3.314 19.152 ( 1.320 -4.294 -0.075) 4.493 19.263 ( -1.539 0.898 -0.202) 1.794 19.410 ( -6.459 -9.139 -3.109) 11.614 19.804 ( 2.357 7.960 0.919) 8.352 19.919 ( -4.413 11.853 -2.119) 12.824 20.536 ( 4.901 -6.689 -0.656) 8.318 20.673 ( -0.642 -5.053 -3.145) 5.986 20.882 ( 1.569 2.757 1.516) 3.516 20.964 ( -1.916 2.091 -1.273) 3.109 21.096 ( 1.340 0.232 0.905) 1.633 21.249 ( -5.703 -3.958 -3.498) 7.774 21.907 ( 3.084 2.712 3.887) 5.654 22.015 ( -1.683 0.936 1.148) 2.242 22.263 ( 1.078 0.612 0.740) 1.443 22.419 ( -5.846 -1.608 -2.585) 6.592 ======================= Grid point 93 (36/72) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -0.324 3.835 2.740) 4.725 2.066 ( 0.324 3.835 2.740) 4.725 2.435 ( -8.608 -1.460 -2.063) 8.972 2.435 ( 8.608 -1.460 -2.063) 8.972 2.575 ( -4.578 -0.477 0.174) 4.606 2.575 ( 4.578 -0.477 0.174) 4.606 2.719 ( -3.001 -1.284 1.062) 3.432 2.719 ( 3.001 -1.284 1.062) 3.432 2.835 ( -2.948 0.583 -1.278) 3.266 2.835 ( 2.948 0.583 -1.278) 3.266 2.957 ( -4.927 2.004 0.067) 5.319 2.957 ( 4.927 2.004 0.067) 5.319 3.131 ( -3.448 -0.838 -1.081) 3.709 3.131 ( 3.448 -0.838 -1.081) 3.709 3.393 ( -4.738 2.680 -4.836) 7.281 3.393 ( 4.738 2.680 -4.836) 7.281 3.583 ( -3.720 0.417 2.605) 4.560 3.583 ( 3.720 0.417 2.605) 4.560 3.930 ( -1.286 -4.006 -2.541) 4.915 3.930 ( 1.286 -4.006 -2.541) 4.915 4.408 ( -3.895 1.741 0.845) 4.350 4.408 ( 3.895 1.741 0.845) 4.350 4.610 ( -8.151 -1.486 1.286) 8.385 4.610 ( 8.151 -1.486 1.286) 8.385 4.719 ( -7.021 2.565 4.924) 8.951 4.719 ( 7.021 2.565 4.924) 8.951 5.188 ( -2.297 -3.100 0.750) 3.930 5.188 ( 2.297 -3.100 0.750) 3.930 5.375 ( -2.496 2.711 0.911) 3.796 5.375 ( 2.496 2.711 0.911) 3.796 5.670 ( -4.882 0.530 -2.472) 5.498 5.670 ( 4.882 0.530 -2.472) 5.498 5.845 ( -3.352 4.526 0.118) 5.634 5.845 ( 3.352 4.526 0.118) 5.634 6.200 ( -1.352 1.178 0.218) 1.807 6.200 ( 1.352 1.178 0.218) 1.807 6.370 ( -1.426 -4.032 -2.210) 4.814 6.370 ( 1.426 -4.032 -2.210) 4.814 6.523 ( -0.429 -2.701 0.657) 2.812 6.523 ( 0.429 -2.701 0.657) 2.812 7.496 ( -2.088 3.009 1.592) 3.993 7.496 ( 2.088 3.009 1.592) 3.993 7.774 ( -0.745 2.058 2.083) 3.021 7.774 ( 0.745 2.058 2.083) 3.021 7.981 ( -2.273 -4.282 0.653) 4.892 7.981 ( 2.273 -4.282 0.653) 4.892 8.100 ( -1.359 -2.422 -1.083) 2.981 8.100 ( 1.359 -2.422 -1.083) 2.981 8.557 ( -5.109 1.617 0.699) 5.405 8.557 ( 5.109 1.617 0.699) 5.405 9.003 ( -1.060 -6.397 -0.827) 6.537 9.003 ( 1.060 -6.397 -0.827) 6.537 9.620 ( -1.393 5.462 -0.105) 5.638 9.620 ( 1.393 5.462 -0.105) 5.638 9.761 ( -3.002 3.172 -1.711) 4.690 9.761 ( 3.002 3.172 -1.711) 4.690 10.455 ( -1.742 -1.611 1.889) 3.033 10.455 ( 1.742 -1.611 1.889) 3.033 10.730 ( -1.070 -1.682 -3.791) 4.284 10.730 ( 1.070 -1.682 -3.791) 4.284 11.377 ( -0.907 3.819 2.912) 4.887 11.377 ( 0.907 3.819 2.912) 4.887 11.856 ( -1.426 -2.183 -3.670) 4.502 11.856 ( 1.426 -2.183 -3.670) 4.502 12.540 ( -2.406 0.472 5.002) 5.571 12.540 ( 2.406 0.472 5.002) 5.571 12.796 ( -6.795 -0.904 -1.433) 7.003 12.796 ( 6.795 -0.904 -1.433) 7.003 13.323 ( -3.751 5.469 -0.560) 6.655 13.323 ( 3.751 5.469 -0.560) 6.655 14.086 ( -3.494 -9.892 2.083) 10.696 14.086 ( 3.494 -9.892 2.083) 10.696 14.537 ( -2.058 3.268 2.210) 4.450 14.537 ( 2.058 3.268 2.210) 4.450 14.683 ( -4.112 2.932 -0.775) 5.109 14.683 ( 4.112 2.932 -0.775) 5.109 15.153 ( -3.394 2.000 1.529) 4.226 15.153 ( 3.394 2.000 1.529) 4.226 15.554 ( -6.638 -2.239 -5.092) 8.660 15.554 ( 6.638 -2.239 -5.092) 8.660 16.652 ( -1.375 0.743 3.425) 3.765 16.652 ( 1.375 0.743 3.425) 3.765 17.032 ( -7.435 -1.319 -2.551) 7.970 17.032 ( 7.435 -1.319 -2.551) 7.970 17.727 ( -2.017 -1.163 -3.106) 3.882 17.727 ( 2.017 -1.163 -3.106) 3.882 18.045 ( -1.431 -3.336 2.886) 4.638 18.045 ( 1.431 -3.336 2.886) 4.638 18.309 ( -3.751 6.051 0.795) 7.163 18.309 ( 3.751 6.051 0.795) 7.163 18.906 ( -2.031 -2.830 3.028) 4.616 18.906 ( 2.031 -2.830 3.028) 4.616 19.175 ( -0.843 -2.038 -2.142) 3.075 19.175 ( 0.843 -2.038 -2.142) 3.075 19.282 ( -4.986 -3.209 -1.086) 6.028 19.282 ( 4.986 -3.209 -1.086) 6.028 19.853 ( -2.769 9.680 0.186) 10.070 19.853 ( 2.769 9.680 0.186) 10.070 20.624 ( -4.002 -7.001 -2.843) 8.551 20.624 ( 4.002 -7.001 -2.843) 8.551 20.921 ( -2.358 3.147 0.438) 3.957 20.921 ( 2.358 3.147 0.438) 3.957 21.151 ( -4.208 -2.388 -0.776) 4.900 21.151 ( 4.208 -2.388 -0.776) 4.900 21.969 ( -3.008 2.593 2.319) 4.599 21.969 ( 3.008 2.593 2.319) 4.599 22.317 ( -4.350 -1.019 -1.074) 4.595 22.317 ( 4.350 -1.019 -1.074) 4.595 ======================= Grid point 99 (37/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 22.890 15.801) 27.814 1.269 ( 0.000 23.602 14.841) 27.880 1.972 ( 0.000 -8.225 14.122) 16.342 2.108 ( 0.000 -14.996 1.133) 15.039 2.178 ( 0.000 27.341 11.723) 29.748 2.315 ( 0.000 6.883 -5.889) 9.059 2.498 ( 0.000 13.158 -8.176) 15.492 2.666 ( 0.000 -5.842 -3.995) 7.078 2.846 ( 0.000 -10.237 -3.181) 10.720 2.977 ( 0.000 3.678 0.707) 3.746 2.995 ( 0.000 -1.521 0.123) 1.526 3.082 ( 0.000 0.652 3.541) 3.600 3.248 ( 0.000 -6.001 6.582) 8.907 3.404 ( 0.000 0.439 -2.612) 2.649 3.438 ( 0.000 1.272 0.680) 1.443 3.497 ( 0.000 -0.625 0.676) 0.921 3.618 ( 0.000 -2.535 2.596) 3.628 3.742 ( 0.000 -11.562 -0.431) 11.570 3.766 ( 0.000 -2.795 0.598) 2.858 4.025 ( 0.000 6.540 -0.900) 6.601 4.082 ( 0.000 -10.137 -2.706) 10.492 4.201 ( 0.000 0.580 -7.959) 7.980 4.384 ( 0.000 0.080 -11.905) 11.906 4.642 ( 0.000 -7.164 -6.782) 9.865 4.796 ( 0.000 3.515 3.076) 4.670 5.019 ( 0.000 -4.376 -1.403) 4.596 5.250 ( 0.000 10.395 2.188) 10.623 5.321 ( 0.000 5.641 -3.736) 6.766 5.425 ( 0.000 3.153 -3.747) 4.897 5.524 ( 0.000 -0.721 0.982) 1.218 5.587 ( 0.000 0.890 2.058) 2.242 5.676 ( 0.000 5.255 -1.379) 5.432 5.754 ( 0.000 -5.379 2.714) 6.025 5.823 ( 0.000 2.707 -2.852) 3.933 5.926 ( 0.000 3.495 -6.035) 6.974 6.033 ( 0.000 -1.646 -0.804) 1.832 6.211 ( 0.000 -0.613 1.571) 1.686 6.318 ( 0.000 -2.154 2.783) 3.520 6.445 ( 0.000 -2.902 6.656) 7.261 6.567 ( 0.000 -6.469 4.791) 8.050 7.478 ( 0.000 4.541 0.338) 4.554 7.536 ( 0.000 1.142 -0.215) 1.162 7.835 ( 0.000 0.118 2.017) 2.020 7.947 ( 0.000 0.850 -1.950) 2.127 8.006 ( 0.000 -1.295 1.756) 2.182 8.095 ( 0.000 -1.936 -2.361) 3.053 8.267 ( 0.000 0.478 3.385) 3.419 8.403 ( 0.000 -5.386 -0.831) 5.450 8.651 ( 0.000 3.560 3.858) 5.249 8.963 ( 0.000 -9.064 1.782) 9.237 9.077 ( 0.000 3.021 -6.161) 6.862 9.180 ( 0.000 -2.682 -2.928) 3.970 9.649 ( 0.000 1.111 0.559) 1.244 9.665 ( 0.000 0.145 1.488) 1.495 9.736 ( 0.000 0.132 -0.517) 0.534 9.785 ( 0.000 -1.525 0.093) 1.528 10.095 ( 0.000 1.460 -0.686) 1.613 10.182 ( 0.000 -2.408 -1.740) 2.971 10.286 ( 0.000 1.966 -1.710) 2.606 10.329 ( 0.000 -0.097 -1.508) 1.511 10.976 ( 0.000 7.714 -2.453) 8.095 11.036 ( 0.000 9.054 -2.474) 9.386 11.240 ( 0.000 -5.686 2.029) 6.037 11.429 ( 0.000 -9.132 -2.690) 9.520 12.354 ( 0.000 -0.972 11.338) 11.380 12.477 ( 0.000 -5.987 11.761) 13.197 12.822 ( 0.000 1.152 -0.169) 1.164 12.889 ( 0.000 -2.353 0.393) 2.386 13.276 ( 0.000 6.091 5.000) 7.880 13.516 ( 0.000 -4.914 0.729) 4.968 14.028 ( 0.000 2.330 -8.843) 9.145 14.111 ( 0.000 0.148 -10.880) 10.881 14.546 ( 0.000 3.302 9.548) 10.103 14.761 ( 0.000 -6.218 10.982) 12.620 15.023 ( 0.000 5.906 -3.792) 7.018 15.160 ( 0.000 -1.782 -1.471) 2.311 15.219 ( 0.000 4.601 -0.684) 4.652 15.342 ( 0.000 -1.485 -2.581) 2.978 16.009 ( 0.000 3.638 -0.103) 3.639 16.128 ( 0.000 -1.804 -4.473) 4.823 16.387 ( 0.000 1.276 -0.292) 1.309 16.534 ( 0.000 -3.273 1.160) 3.473 16.758 ( 0.000 -4.186 1.692) 4.515 16.899 ( 0.000 -7.068 -0.095) 7.068 17.359 ( 0.000 4.929 0.169) 4.931 17.390 ( 0.000 2.077 0.157) 2.083 17.708 ( 0.000 -2.434 1.389) 2.803 17.775 ( 0.000 -6.060 -1.411) 6.222 18.203 ( 0.000 4.764 5.254) 7.093 18.427 ( 0.000 -5.866 -0.281) 5.872 18.724 ( 0.000 5.894 -0.779) 5.945 18.855 ( 0.000 1.622 -3.107) 3.505 19.191 ( 0.000 0.403 0.374) 0.549 19.268 ( 0.000 -2.438 1.763) 3.009 19.341 ( 0.000 1.928 -0.188) 1.938 19.384 ( 0.000 -0.027 -1.440) 1.440 19.828 ( 0.000 7.086 2.572) 7.538 20.102 ( 0.000 -3.923 4.221) 5.763 20.401 ( 0.000 6.284 -9.548) 11.431 20.581 ( 0.000 -0.277 -7.866) 7.871 20.918 ( 0.000 8.451 2.658) 8.859 21.124 ( 0.000 -1.680 0.845) 1.881 21.303 ( 0.000 2.592 -8.489) 8.876 21.367 ( 0.000 0.066 -7.934) 7.934 21.930 ( 0.000 -2.675 4.775) 5.473 21.945 ( 0.000 -3.309 4.529) 5.609 22.469 ( 0.000 0.548 3.316) 3.361 22.598 ( 0.000 -4.788 -0.271) 4.796 ======================= Grid point 100 (38/72) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 6.667 22.136 13.792) 26.920 1.376 ( 10.731 19.641 14.843) 26.856 2.010 ( 3.404 -12.197 11.967) 17.423 2.151 ( 3.586 -13.657 2.931) 14.421 2.304 ( 9.501 13.658 1.662) 16.720 2.360 ( 5.689 11.732 -5.843) 14.288 2.559 ( 5.691 12.260 -2.810) 13.805 2.700 ( 4.060 -3.618 -4.166) 6.851 2.867 ( 1.923 -8.537 -3.293) 9.351 2.946 ( -1.811 1.802 1.381) 2.904 2.997 ( -0.887 -0.437 1.183) 1.542 3.098 ( 1.725 1.860 2.393) 3.487 3.233 ( -1.008 -4.008 5.262) 6.691 3.375 ( -3.072 -0.907 -0.732) 3.286 3.435 ( -0.207 3.967 -1.290) 4.176 3.486 ( -0.744 -0.922 1.084) 1.606 3.619 ( -0.115 -2.905 2.676) 3.952 3.719 ( -1.465 -4.351 -1.029) 4.705 3.799 ( 1.862 -5.891 1.048) 6.266 3.965 ( -5.347 2.812 -2.421) 6.508 4.043 ( -4.295 -3.677 -3.116) 6.456 4.212 ( 1.781 -6.504 -2.791) 7.298 4.422 ( 3.303 2.237 -12.314) 12.944 4.648 ( 0.096 -5.602 -4.433) 7.145 4.769 ( -1.783 3.869 0.774) 4.330 5.013 ( -1.134 -4.453 -0.707) 4.649 5.203 ( -4.350 7.451 -2.068) 8.872 5.301 ( -2.583 3.840 -3.024) 5.528 5.432 ( 1.911 6.651 -0.243) 6.925 5.535 ( -0.285 3.181 1.269) 3.437 5.583 ( 0.153 4.162 3.479) 5.426 5.689 ( 2.766 2.675 -0.358) 3.865 5.785 ( 4.361 -3.137 1.974) 5.723 5.884 ( 3.377 -1.705 -2.328) 4.442 5.966 ( 3.814 1.547 -5.546) 6.906 6.065 ( 2.562 -2.164 -1.641) 3.733 6.220 ( 0.708 -0.181 2.046) 2.173 6.321 ( -0.136 -1.061 3.138) 3.315 6.427 ( -1.731 -4.436 4.709) 6.697 6.513 ( -4.629 -6.814 3.510) 8.954 7.452 ( -1.664 4.286 1.263) 4.768 7.553 ( 0.969 0.426 -0.637) 1.236 7.816 ( -1.774 0.831 1.777) 2.645 7.926 ( -1.687 -0.359 -1.159) 2.078 8.015 ( 0.373 0.400 0.995) 1.135 8.103 ( 0.734 -1.230 -2.200) 2.626 8.248 ( -1.456 0.346 3.573) 3.873 8.413 ( -0.233 -7.371 -0.644) 7.402 8.612 ( -2.881 5.486 2.972) 6.872 8.918 ( -6.261 -5.882 0.821) 8.630 8.972 ( -6.325 0.748 -2.759) 6.941 9.144 ( -4.316 -5.884 -2.439) 7.693 9.576 ( -0.710 2.161 2.662) 3.502 9.683 ( 0.303 -2.604 1.837) 3.201 9.813 ( 3.997 2.708 -2.769) 5.566 9.853 ( 3.571 0.871 -2.172) 4.269 10.140 ( 4.233 1.257 -1.235) 4.585 10.225 ( 2.120 -0.395 -1.730) 2.765 10.309 ( 4.945 -0.351 -1.070) 5.071 10.378 ( 4.142 -1.828 -1.946) 4.928 11.051 ( 7.338 8.010 -1.856) 11.021 11.086 ( 5.192 7.797 -0.862) 9.407 11.350 ( 9.678 -4.807 -1.232) 10.876 11.487 ( 5.665 -8.324 -2.963) 10.496 12.359 ( 0.618 -1.279 11.337) 11.426 12.460 ( -1.317 -5.094 11.413) 12.568 12.834 ( 0.848 0.887 -0.386) 1.286 12.884 ( -0.475 -1.800 0.470) 1.920 13.292 ( 1.666 8.494 4.436) 9.726 13.552 ( 3.154 -4.577 0.881) 5.628 13.956 ( -6.894 0.831 -7.033) 9.883 14.027 ( -7.168 -1.806 -9.041) 11.679 14.545 ( -0.586 3.078 7.509) 8.136 14.692 ( -4.604 -2.733 7.092) 8.886 14.953 ( -4.716 6.101 -2.579) 8.131 15.076 ( -6.248 -0.485 -2.429) 6.721 15.274 ( 1.443 1.313 2.159) 2.910 15.352 ( 0.375 -1.451 -0.054) 1.500 15.944 ( -6.512 5.110 -0.578) 8.298 16.132 ( -1.019 -4.014 -6.052) 7.333 16.381 ( 1.539 2.323 0.437) 2.820 16.511 ( -2.212 -1.479 -0.118) 2.663 16.803 ( 3.156 -4.391 2.719) 6.053 16.936 ( 3.036 -8.158 -0.520) 8.720 17.396 ( 3.661 2.973 0.232) 4.722 17.459 ( 6.663 1.630 -0.275) 6.865 17.731 ( 2.616 -1.202 1.106) 3.084 17.842 ( 5.336 -5.280 -2.197) 7.822 18.220 ( 1.484 5.787 4.097) 7.244 18.451 ( 2.333 -6.093 -1.161) 6.627 18.719 ( -0.687 4.832 -0.035) 4.880 18.851 ( -0.526 0.360 -2.301) 2.388 19.150 ( -3.531 0.534 0.881) 3.678 19.236 ( -1.903 -1.178 0.151) 2.244 19.299 ( -2.565 0.976 1.134) 2.969 19.404 ( -0.180 -3.419 -1.434) 3.712 19.868 ( 3.495 7.722 2.702) 8.896 20.118 ( 1.763 -2.673 3.249) 4.562 20.399 ( -0.664 4.907 -6.609) 8.259 20.583 ( 0.362 -1.264 -7.899) 8.008 20.915 ( -0.364 7.926 2.720) 8.388 21.105 ( -1.475 -0.787 1.440) 2.206 21.275 ( -3.439 2.606 -6.948) 8.179 21.364 ( -0.094 -1.375 -8.235) 8.349 21.918 ( -1.963 -2.545 5.901) 6.720 21.937 ( 0.476 -2.820 3.209) 4.298 22.439 ( -2.225 3.069 2.822) 4.726 22.604 ( -0.373 -5.433 -1.623) 5.682 ======================= Grid point 101 (39/72) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 13.912 13.996 11.105) 22.644 1.639 ( 15.455 14.862 11.102) 24.145 2.086 ( 4.209 -11.843 7.817) 14.801 2.217 ( 2.979 -11.636 3.105) 12.406 2.407 ( 2.982 2.144 -8.425) 9.190 2.497 ( 4.806 3.987 -3.860) 7.341 2.708 ( 6.587 -1.221 -4.594) 8.123 2.797 ( 3.692 2.955 -0.006) 4.728 2.893 ( 0.374 2.339 -0.636) 2.452 2.945 ( 2.045 -1.768 0.209) 2.712 2.994 ( 2.203 -0.795 0.866) 2.497 3.130 ( 1.079 0.714 1.567) 2.032 3.251 ( 2.559 2.421 4.259) 5.527 3.295 ( -3.416 1.157 -0.776) 3.689 3.414 ( -1.464 3.936 -2.626) 4.953 3.490 ( 0.434 1.388 1.053) 1.795 3.603 ( -1.462 -1.509 2.174) 3.024 3.687 ( -1.944 1.045 0.798) 2.347 3.808 ( -2.241 -3.542 -0.198) 4.196 3.850 ( -4.440 -3.381 -3.241) 6.453 3.969 ( -1.732 1.932 -0.114) 2.598 4.273 ( 4.211 -11.177 0.248) 11.946 4.478 ( 1.775 5.885 -7.163) 9.439 4.623 ( -1.785 -0.093 0.607) 1.888 4.776 ( 2.104 -0.854 -2.691) 3.521 4.970 ( -2.080 -0.789 -4.776) 5.269 5.111 ( -5.299 4.794 -2.057) 7.436 5.251 ( -1.780 -0.843 -1.536) 2.497 5.474 ( 1.509 5.979 2.558) 6.676 5.527 ( -1.164 7.514 3.156) 8.232 5.585 ( 0.625 3.549 3.236) 4.843 5.762 ( 3.597 3.710 -2.590) 5.781 5.870 ( 3.126 1.816 0.245) 3.624 5.944 ( 2.107 -2.390 -1.169) 3.394 6.058 ( 5.727 -3.872 -1.195) 7.016 6.122 ( 3.906 -5.221 -1.308) 6.650 6.222 ( -0.722 1.263 2.625) 3.001 6.301 ( -1.450 -1.020 3.272) 3.721 6.382 ( -2.398 -5.229 0.813) 5.810 6.442 ( -2.243 -6.206 -0.006) 6.599 7.436 ( 0.280 4.046 2.181) 4.605 7.570 ( 1.052 -0.666 -0.175) 1.257 7.777 ( -1.924 2.144 1.250) 3.140 7.892 ( -1.719 -0.991 -0.947) 2.198 8.005 ( -1.570 1.194 1.146) 2.281 8.110 ( -0.566 0.819 -1.542) 1.836 8.214 ( -2.507 -2.358 2.885) 4.491 8.370 ( -3.504 -5.486 0.177) 6.512 8.557 ( -3.783 4.355 1.249) 5.903 8.771 ( -5.969 0.211 -0.614) 6.004 8.883 ( -3.536 -5.427 0.109) 6.478 9.044 ( -5.260 -7.989 -1.964) 9.765 9.607 ( 2.794 2.380 2.578) 4.485 9.700 ( 1.214 -1.088 1.577) 2.268 9.834 ( -0.467 4.161 -2.570) 4.913 9.902 ( 0.965 2.215 -3.158) 3.976 10.223 ( 3.886 1.715 0.254) 4.255 10.284 ( 4.513 0.110 -0.332) 4.527 10.429 ( 6.404 -1.559 -1.931) 6.868 10.483 ( 6.245 -4.101 -3.367) 8.194 11.217 ( 7.576 6.920 0.459) 10.271 11.228 ( 9.802 7.741 -0.713) 12.511 11.541 ( 8.952 -3.423 -3.381) 10.163 11.625 ( 7.787 -6.421 -4.277) 10.962 12.382 ( 1.827 -1.513 10.972) 11.225 12.445 ( 0.157 -3.697 9.822) 10.496 12.834 ( -1.423 1.552 -0.511) 2.167 12.882 ( 0.837 -0.508 0.160) 0.992 13.335 ( 2.450 10.465 2.257) 10.982 13.593 ( -0.820 0.535 -0.347) 1.039 13.785 ( -7.946 -2.933 -2.851) 8.936 13.937 ( -1.231 -8.849 -4.613) 10.055 14.527 ( -0.500 3.608 4.096) 5.482 14.641 ( -1.202 -1.024 1.846) 2.429 14.858 ( -5.113 4.848 -0.702) 7.081 14.957 ( -5.552 -0.530 -2.386) 6.066 15.246 ( -3.548 2.155 4.578) 6.180 15.344 ( -1.367 -2.697 2.790) 4.114 15.787 ( -9.030 7.024 -2.057) 11.623 16.042 ( -8.322 -6.010 -8.915) 13.596 16.446 ( 4.216 1.526 0.777) 4.550 16.509 ( 2.861 -0.872 1.207) 3.226 16.836 ( 0.582 -0.089 3.772) 3.818 17.016 ( 4.818 -8.759 -0.662) 10.018 17.493 ( 6.127 2.346 -0.344) 6.570 17.598 ( 6.566 -0.762 -1.097) 6.701 17.797 ( 3.678 0.883 -0.332) 3.797 17.927 ( 2.798 -2.028 -1.214) 3.662 18.258 ( 2.704 7.398 2.567) 8.284 18.496 ( 1.540 -4.555 -2.836) 5.582 18.702 ( -0.531 -0.688 1.774) 1.976 18.828 ( -1.807 -3.381 -1.315) 4.053 19.100 ( -1.113 1.304 1.695) 2.411 19.208 ( -1.236 2.164 -0.990) 2.681 19.273 ( 0.266 -3.561 1.434) 3.848 19.375 ( -2.134 -5.451 -1.315) 6.000 19.922 ( 1.519 8.812 2.566) 9.303 20.169 ( 2.979 -1.402 0.235) 3.301 20.369 ( -2.082 3.847 -1.820) 4.738 20.593 ( 0.329 -3.607 -6.062) 7.062 20.907 ( -0.302 6.497 2.387) 6.928 21.078 ( -1.391 0.356 1.336) 1.961 21.189 ( -4.555 2.711 -4.161) 6.739 21.341 ( -2.753 -4.269 -7.303) 8.896 21.887 ( -0.541 0.233 5.469) 5.501 21.958 ( 1.589 -3.067 2.275) 4.136 22.394 ( -2.551 4.506 1.423) 5.370 22.566 ( -3.469 -4.586 -2.745) 6.372 ======================= Grid point 102 (40/72) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 17.179 5.722 6.491) 19.236 1.934 ( 14.110 9.518 7.671) 18.668 2.163 ( 2.983 -7.509 3.129) 8.665 2.267 ( 2.818 -4.803 2.159) 5.972 2.462 ( 3.527 -1.680 0.148) 3.909 2.540 ( 0.338 -2.938 -4.804) 5.641 2.756 ( -1.098 0.220 -3.804) 3.966 2.773 ( -3.073 0.317 -4.128) 5.156 2.941 ( -0.533 -0.183 -4.243) 4.280 2.967 ( 2.882 0.852 -2.370) 3.828 3.012 ( -1.994 0.369 0.513) 2.092 3.133 ( -1.724 -1.105 1.077) 2.314 3.194 ( -2.731 -2.105 0.811) 3.542 3.267 ( -5.247 -1.629 -1.689) 5.748 3.434 ( -2.535 5.450 -2.800) 6.631 3.483 ( -0.230 4.952 3.596) 6.124 3.605 ( 2.271 3.373 0.044) 4.066 3.670 ( 1.767 -0.038 2.855) 3.358 3.751 ( 0.046 -2.347 0.220) 2.357 3.826 ( -0.024 -3.492 -1.185) 3.687 4.004 ( 6.326 5.801 1.965) 8.805 4.358 ( 4.027 -9.372 3.170) 10.682 4.489 ( 0.434 6.696 1.447) 6.864 4.628 ( 1.994 1.389 -3.296) 4.095 4.787 ( -1.183 -0.746 1.038) 1.742 4.968 ( -1.434 3.970 -2.997) 5.177 5.023 ( -0.527 -0.528 -4.846) 4.903 5.214 ( -2.657 -4.396 -2.120) 5.557 5.472 ( -2.047 5.856 3.995) 7.379 5.507 ( 0.694 3.969 3.035) 5.045 5.597 ( -0.537 3.628 0.908) 3.779 5.783 ( -1.702 1.085 -2.829) 3.475 5.910 ( 1.483 5.927 0.529) 6.132 5.964 ( 0.666 0.309 0.713) 1.023 6.137 ( 2.248 -4.848 0.766) 5.399 6.208 ( 2.764 -3.643 -1.760) 4.900 6.237 ( 2.758 -1.450 0.767) 3.209 6.297 ( 2.237 -0.966 2.134) 3.239 6.355 ( -0.549 -5.639 -0.742) 5.714 6.416 ( -0.144 -4.129 -1.170) 4.294 7.463 ( 2.306 4.166 2.615) 5.433 7.602 ( 2.258 0.216 0.235) 2.280 7.748 ( -1.059 1.987 1.139) 2.523 7.861 ( -1.413 -0.771 -1.008) 1.899 7.955 ( -3.444 0.245 2.214) 4.101 8.063 ( -4.475 3.157 0.163) 5.479 8.140 ( -4.578 -6.060 0.615) 7.620 8.280 ( -6.875 -5.141 -1.456) 8.707 8.489 ( -0.900 5.778 2.770) 6.471 8.708 ( -1.683 -0.146 -0.783) 1.862 8.841 ( -0.860 -6.794 -0.344) 6.857 8.958 ( -3.439 -7.441 -1.954) 8.427 9.663 ( 2.782 3.020 1.417) 4.344 9.719 ( 0.817 2.306 1.232) 2.739 9.821 ( -1.057 4.463 -1.511) 4.829 9.896 ( -1.116 2.818 -2.485) 3.920 10.298 ( 3.865 0.473 1.783) 4.283 10.367 ( 3.600 -1.960 0.488) 4.128 10.552 ( 6.063 -1.521 -2.670) 6.798 10.595 ( 5.017 -3.774 -4.054) 7.473 11.351 ( 5.890 6.872 1.387) 9.157 11.390 ( 6.380 6.711 0.456) 9.271 11.681 ( 5.557 -2.971 -3.185) 7.061 11.751 ( 4.670 -4.868 -4.854) 8.311 12.429 ( 3.001 -0.658 9.460) 9.946 12.477 ( 3.104 -2.598 6.818) 7.929 12.788 ( -2.859 3.395 -0.397) 4.456 12.905 ( 0.603 -2.044 -0.970) 2.342 13.372 ( 0.773 8.393 0.005) 8.428 13.500 ( -4.438 7.921 -3.348) 9.678 13.755 ( 2.506 -7.934 3.487) 9.022 13.942 ( 0.478 -11.624 -1.179) 11.693 14.535 ( 1.097 2.936 1.483) 3.468 14.619 ( -1.360 -0.016 0.156) 1.369 14.775 ( -3.005 4.172 -0.062) 5.142 14.867 ( -4.029 -0.519 -1.805) 4.445 15.175 ( -2.979 3.082 4.719) 6.376 15.303 ( -2.601 -3.285 3.449) 5.427 15.615 ( -8.415 6.366 -2.899) 10.943 15.847 ( -10.822 -5.250 -8.593) 14.783 16.534 ( 4.767 0.587 1.652) 5.079 16.590 ( 4.562 -2.159 2.486) 5.627 16.854 ( 1.678 3.719 2.443) 4.756 17.085 ( 1.593 -7.791 -1.726) 8.138 17.621 ( 6.616 0.878 -1.479) 6.836 17.696 ( 3.777 0.006 -1.757) 4.165 17.848 ( 1.189 0.656 -0.511) 1.451 17.967 ( 2.155 0.163 0.857) 2.325 18.325 ( 3.915 8.018 1.575) 9.061 18.494 ( -1.430 0.741 -2.441) 2.924 18.709 ( 1.000 -8.193 2.693) 8.682 18.801 ( -0.501 -7.114 -0.799) 7.177 19.097 ( 0.489 2.059 1.740) 2.740 19.192 ( -0.440 2.360 -0.418) 2.437 19.290 ( 0.781 -3.174 0.008) 3.268 19.333 ( -2.414 -4.697 -1.404) 5.464 19.940 ( 1.040 9.882 2.093) 10.155 20.194 ( -1.202 4.633 -4.111) 6.310 20.347 ( 0.491 -2.105 3.115) 3.791 20.586 ( -1.153 -6.147 -3.456) 7.145 20.910 ( 0.746 4.752 1.219) 4.962 21.046 ( -1.847 1.752 -0.783) 2.664 21.121 ( -2.366 1.026 -1.281) 2.880 21.259 ( -5.307 -5.728 -4.813) 9.172 21.906 ( 2.391 2.508 4.256) 5.488 21.995 ( 2.042 -2.056 1.716) 3.368 22.337 ( -3.246 3.834 0.391) 5.039 22.480 ( -5.141 -3.463 -2.770) 6.789 ======================= Grid point 103 (41/72) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 8.367 3.823 1.707) 9.356 2.146 ( 4.395 2.157 3.307) 5.908 2.197 ( 7.291 2.472 3.074) 8.290 2.356 ( 5.792 -4.731 1.792) 7.690 2.527 ( 3.333 -1.434 2.268) 4.279 2.585 ( 4.084 -3.641 -2.981) 6.231 2.667 ( -4.333 1.790 -5.508) 7.233 2.742 ( -2.726 -1.321 -3.889) 4.930 2.884 ( -4.208 2.536 -2.835) 5.672 2.921 ( -4.247 2.114 0.682) 4.793 3.002 ( -3.618 -0.889 -5.259) 6.445 3.057 ( -4.280 -1.424 2.908) 5.367 3.128 ( -2.760 0.010 0.036) 2.760 3.228 ( 1.023 -0.376 1.794) 2.099 3.378 ( -2.251 4.225 -1.934) 5.164 3.456 ( -0.511 1.905 0.582) 2.056 3.579 ( -1.809 -0.051 -1.590) 2.409 3.690 ( -2.070 3.422 0.971) 4.115 3.802 ( 2.738 -5.881 -0.394) 6.499 3.834 ( 0.462 -4.017 -0.686) 4.101 4.228 ( 13.907 3.835 3.371) 14.815 4.428 ( 3.545 -4.264 4.547) 7.171 4.508 ( 1.194 4.631 3.393) 5.864 4.659 ( -0.250 -1.212 -2.105) 2.442 4.764 ( -0.059 5.006 -0.196) 5.010 4.891 ( -4.385 4.299 2.433) 6.605 5.065 ( 1.770 -4.538 -3.319) 5.894 5.153 ( -3.161 -5.418 -2.923) 6.920 5.441 ( -0.422 5.934 2.814) 6.581 5.520 ( -1.683 5.178 1.522) 5.654 5.578 ( 1.370 -0.495 0.247) 1.478 5.726 ( -3.620 -3.018 -1.943) 5.097 5.935 ( 1.259 5.902 0.362) 6.046 5.971 ( -0.149 6.079 -0.131) 6.083 6.180 ( 2.511 -1.976 0.435) 3.225 6.238 ( 0.293 -1.895 -1.563) 2.474 6.262 ( 1.087 -0.016 -0.737) 1.314 6.317 ( -1.480 -3.343 -1.431) 3.926 6.397 ( 4.050 -5.575 0.992) 6.962 6.438 ( 1.582 -4.635 0.749) 4.955 7.518 ( 3.284 4.963 2.464) 6.441 7.628 ( -0.719 5.195 -0.029) 5.245 7.755 ( 2.563 -1.995 1.659) 3.647 7.840 ( -0.752 0.839 -0.054) 1.128 7.884 ( -3.396 -2.060 2.603) 4.749 7.965 ( -4.633 -0.100 0.693) 4.685 8.061 ( -3.311 -5.240 -0.431) 6.213 8.129 ( -7.339 -4.455 -1.017) 8.646 8.528 ( 3.869 5.135 1.759) 6.666 8.673 ( -2.391 1.784 -0.856) 3.103 8.842 ( 0.842 -7.552 -0.720) 7.633 8.907 ( -2.167 -6.883 -1.790) 7.435 9.706 ( 1.583 4.267 0.567) 4.586 9.744 ( 1.563 4.855 0.304) 5.109 9.793 ( -1.185 4.174 -0.233) 4.345 9.866 ( -1.981 2.504 -1.793) 3.662 10.368 ( 3.193 -1.257 2.213) 4.084 10.415 ( 1.222 -2.865 1.518) 3.465 10.649 ( 3.723 -1.724 -3.413) 5.337 10.670 ( 2.604 -2.902 -4.221) 5.746 11.438 ( 3.182 6.556 1.902) 7.532 11.468 ( 1.943 6.179 1.540) 6.658 11.760 ( 2.761 -3.426 -3.016) 5.335 11.802 ( 0.830 -4.405 -3.922) 5.956 12.494 ( 3.517 0.593 6.593) 7.496 12.543 ( 2.822 -1.490 4.736) 5.711 12.743 ( -0.992 2.804 -0.506) 3.017 12.871 ( -4.217 -3.336 -1.803) 5.671 13.390 ( 2.825 9.253 0.374) 9.682 13.486 ( 0.596 8.570 -2.219) 8.873 13.813 ( 3.159 -10.302 3.095) 11.211 13.929 ( -1.929 -11.756 0.167) 11.914 14.560 ( 1.426 2.378 1.394) 3.103 14.601 ( -0.180 1.321 0.896) 1.606 14.737 ( -1.357 3.654 -0.643) 3.950 14.792 ( -3.727 0.537 -0.894) 3.870 15.154 ( 0.956 2.910 2.914) 4.227 15.256 ( -2.252 -0.904 2.281) 3.330 15.487 ( -3.781 2.457 -2.551) 5.181 15.649 ( -9.387 -4.410 -6.560) 12.272 16.618 ( 3.707 0.723 2.575) 4.571 16.660 ( 2.216 -0.828 3.948) 4.602 16.907 ( 3.846 2.101 -0.741) 4.445 17.070 ( -2.806 -5.590 -2.496) 6.734 17.711 ( 2.411 0.348 -1.876) 3.075 17.754 ( 1.466 5.348 -3.613) 6.619 17.876 ( 3.330 -5.114 2.574) 6.623 17.998 ( 0.188 -2.648 -0.069) 2.656 18.394 ( 2.967 7.980 1.105) 8.586 18.464 ( -1.367 5.489 -0.900) 5.728 18.737 ( 2.102 -9.885 2.583) 10.430 18.804 ( 0.051 -9.007 0.657) 9.031 19.120 ( 2.046 1.813 0.890) 2.875 19.193 ( 0.665 2.133 -0.850) 2.390 19.270 ( -3.484 -1.054 -1.021) 3.780 19.289 ( -1.450 -2.748 -0.892) 3.232 19.979 ( 3.027 10.304 1.391) 10.829 20.135 ( -4.153 10.843 -2.177) 11.814 20.386 ( 3.247 -8.729 1.400) 9.418 20.544 ( -3.337 -8.555 -2.121) 9.425 20.936 ( 1.882 3.289 0.236) 3.797 21.012 ( -1.646 2.288 -1.818) 3.354 21.092 ( -0.738 -0.680 -0.203) 1.024 21.159 ( -4.508 -4.945 -2.317) 7.081 21.967 ( 3.505 3.302 3.240) 5.804 22.030 ( 1.251 0.301 1.955) 2.341 22.283 ( -1.783 1.621 -0.523) 2.466 22.377 ( -5.267 -2.698 -2.293) 6.346 ======================= Grid point 104 (42/72) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -0.607 4.556 1.762) 4.923 2.151 ( 0.607 4.556 1.762) 4.923 2.399 ( -6.121 -2.189 -0.355) 6.511 2.399 ( 6.121 -2.189 -0.355) 6.511 2.575 ( -3.688 0.612 -0.150) 3.741 2.575 ( 3.688 0.612 -0.150) 3.741 2.680 ( -4.977 -2.881 -2.091) 6.119 2.680 ( 4.977 -2.881 -2.091) 6.119 2.858 ( -1.797 2.268 -2.034) 3.537 2.858 ( 1.797 2.268 -2.034) 3.537 2.959 ( -3.495 -1.761 -0.882) 4.011 2.959 ( 3.495 -1.761 -0.882) 4.011 3.176 ( -5.072 4.674 2.455) 7.321 3.176 ( 5.072 4.674 2.455) 7.321 3.410 ( -4.062 -1.076 -1.166) 4.361 3.410 ( 4.062 -1.076 -1.166) 4.361 3.615 ( -4.614 3.219 0.075) 5.627 3.615 ( 4.614 3.219 0.075) 5.627 3.834 ( -0.742 -5.875 -1.749) 6.174 3.834 ( 0.742 -5.875 -1.749) 6.174 4.419 ( -5.326 -0.470 2.838) 6.053 4.419 ( 5.326 -0.470 2.838) 6.053 4.591 ( -6.263 -0.579 2.518) 6.775 4.591 ( 6.263 -0.579 2.518) 6.775 4.805 ( -3.910 6.397 0.891) 7.550 4.805 ( 3.910 6.397 0.891) 7.550 5.099 ( -2.364 -5.848 -1.720) 6.538 5.099 ( 2.364 -5.848 -1.720) 6.538 5.464 ( -2.576 6.062 1.868) 6.847 5.464 ( 2.576 6.062 1.868) 6.847 5.647 ( -4.417 -2.708 -1.423) 5.373 5.647 ( 4.417 -2.708 -1.423) 5.373 5.958 ( -1.076 6.456 -0.319) 6.553 5.958 ( 1.076 6.456 -0.319) 6.553 6.224 ( -1.704 -0.282 -0.153) 1.734 6.224 ( 1.704 -0.282 -0.153) 1.734 6.286 ( -1.448 -2.299 -2.002) 3.375 6.286 ( 1.448 -2.299 -2.002) 3.375 6.448 ( -0.955 -5.195 1.368) 5.456 6.448 ( 0.955 -5.195 1.368) 5.456 7.583 ( -3.226 6.069 1.399) 7.014 7.583 ( 3.226 6.069 1.399) 7.014 7.812 ( -2.298 0.144 1.583) 2.794 7.812 ( 2.298 0.144 1.583) 2.794 7.885 ( -3.698 -3.881 0.949) 5.444 7.885 ( 3.698 -3.881 0.949) 5.444 8.037 ( -1.621 -4.076 -0.607) 4.428 8.037 ( 1.621 -4.076 -0.607) 4.428 8.610 ( -4.104 3.886 0.162) 5.654 8.610 ( 4.104 3.886 0.162) 5.654 8.869 ( -1.771 -7.174 -1.328) 7.508 8.869 ( 1.771 -7.174 -1.328) 7.508 9.735 ( -1.608 6.071 0.239) 6.285 9.735 ( 1.608 6.071 0.239) 6.285 9.819 ( -2.775 2.281 -0.780) 3.676 9.819 ( 2.775 2.281 -0.780) 3.676 10.413 ( -1.329 -2.450 2.111) 3.497 10.413 ( 1.329 -2.450 2.111) 3.497 10.691 ( -0.533 -2.185 -3.996) 4.585 10.691 ( 0.533 -2.185 -3.996) 4.585 11.477 ( -0.874 6.191 2.008) 6.567 11.477 ( 0.874 6.191 2.008) 6.567 11.796 ( -1.153 -4.042 -3.194) 5.279 11.796 ( 1.153 -4.042 -3.194) 5.279 12.551 ( -1.937 0.622 4.685) 5.107 12.551 ( 1.937 0.622 4.685) 5.107 12.777 ( -4.295 -0.925 -1.156) 4.543 12.777 ( 4.295 -0.925 -1.156) 4.543 13.462 ( -3.273 9.092 -0.245) 9.666 13.462 ( 3.273 9.092 -0.245) 9.666 13.876 ( -3.247 -11.942 0.974) 12.414 13.876 ( 3.247 -11.942 0.974) 12.414 14.591 ( -1.421 2.293 1.885) 3.291 14.591 ( 1.421 2.293 1.885) 3.291 14.734 ( -1.715 2.097 -0.828) 2.833 14.734 ( 1.715 2.097 -0.828) 2.833 15.201 ( -3.311 2.713 1.733) 4.618 15.201 ( 3.311 2.713 1.733) 4.618 15.502 ( -5.074 -2.833 -3.939) 7.021 15.502 ( 5.074 -2.833 -3.939) 7.021 16.668 ( -1.281 0.904 3.651) 3.973 16.668 ( 1.281 0.904 3.651) 3.973 16.993 ( -4.699 -2.381 -2.399) 5.789 16.993 ( 4.699 -2.381 -2.399) 5.789 17.745 ( -1.483 3.348 -1.884) 4.118 17.745 ( 1.483 3.348 -1.884) 4.118 17.960 ( -3.905 -5.605 0.214) 6.834 17.960 ( 3.905 -5.605 0.214) 6.834 18.438 ( -1.619 7.452 0.576) 7.647 18.438 ( 1.619 7.452 0.576) 7.647 18.783 ( -2.144 -9.241 2.027) 9.701 18.783 ( 2.144 -9.241 2.027) 9.701 19.175 ( -3.303 1.919 -0.974) 3.942 19.175 ( 3.303 1.919 -0.974) 3.942 19.249 ( -2.153 -1.049 -0.559) 2.460 19.249 ( 2.153 -1.049 -0.559) 2.460 20.051 ( -4.254 11.085 0.210) 11.875 20.051 ( 4.254 11.085 0.210) 11.875 20.464 ( -4.517 -9.853 -1.025) 10.887 20.464 ( 4.517 -9.853 -1.025) 10.887 20.977 ( -2.128 2.577 -0.715) 3.418 20.977 ( 2.128 2.577 -0.715) 3.418 21.099 ( -1.662 -2.789 -0.914) 3.373 21.099 ( 1.662 -2.789 -0.914) 3.373 22.024 ( -1.981 2.874 2.641) 4.377 22.024 ( 1.981 2.874 2.641) 4.377 22.293 ( -2.913 -1.406 -1.601) 3.609 22.293 ( 2.913 -1.406 -1.601) 3.609 ======================= Grid point 110 (43/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 -11.364 12.926) 17.211 1.628 ( 0.000 11.364 12.926) 17.211 1.739 ( 0.000 -14.504 10.181) 17.721 1.739 ( 0.000 14.504 10.181) 17.721 2.502 ( 0.000 -9.692 -7.525) 12.271 2.502 ( 0.000 9.692 -7.525) 12.271 2.616 ( 0.000 -12.373 -7.947) 14.705 2.616 ( 0.000 12.373 -7.947) 14.705 2.875 ( 0.000 -15.972 2.440) 16.158 2.875 ( 0.000 15.972 2.440) 16.158 3.069 ( 0.000 -5.146 8.445) 9.889 3.069 ( 0.000 5.146 8.445) 9.889 3.215 ( 0.000 -9.766 4.591) 10.791 3.215 ( 0.000 9.766 4.591) 10.791 3.460 ( 0.000 -2.274 0.218) 2.284 3.460 ( 0.000 2.274 0.218) 2.284 3.598 ( 0.000 -5.902 -4.613) 7.491 3.598 ( 0.000 5.902 -4.613) 7.491 3.886 ( 0.000 -10.042 1.438) 10.144 3.886 ( 0.000 10.042 1.438) 10.144 4.139 ( 0.000 -5.418 0.264) 5.425 4.139 ( 0.000 5.418 0.264) 5.425 4.499 ( 0.000 -8.212 -13.802) 16.061 4.499 ( 0.000 8.212 -13.802) 16.061 4.898 ( 0.000 -7.010 1.018) 7.084 4.898 ( 0.000 7.010 1.018) 7.084 5.380 ( 0.000 -1.689 -3.955) 4.300 5.380 ( 0.000 1.689 -3.955) 4.300 5.484 ( 0.000 -4.429 -0.372) 4.445 5.484 ( 0.000 4.429 -0.372) 4.445 5.626 ( 0.000 -4.540 4.876) 6.662 5.626 ( 0.000 4.540 4.876) 6.662 5.797 ( 0.000 -5.304 -1.762) 5.589 5.797 ( 0.000 5.304 -1.762) 5.589 5.989 ( 0.000 -3.162 -5.444) 6.296 5.989 ( 0.000 3.162 -5.444) 6.296 6.248 ( 0.000 -4.108 5.282) 6.692 6.248 ( 0.000 4.108 5.282) 6.692 6.464 ( 0.000 -4.132 4.003) 5.753 6.464 ( 0.000 4.132 4.003) 5.753 7.535 ( 0.000 -1.551 0.704) 1.703 7.535 ( 0.000 1.551 0.704) 1.703 7.893 ( 0.000 -5.133 -0.397) 5.148 7.893 ( 0.000 5.133 -0.397) 5.148 8.038 ( 0.000 -3.459 -0.391) 3.481 8.038 ( 0.000 3.459 -0.391) 3.481 8.307 ( 0.000 -3.843 0.909) 3.949 8.307 ( 0.000 3.843 0.909) 3.949 8.785 ( 0.000 -9.314 2.712) 9.701 8.785 ( 0.000 9.314 2.712) 9.701 9.128 ( 0.000 -2.718 -5.029) 5.717 9.128 ( 0.000 2.718 -5.029) 5.717 9.664 ( 0.000 -0.408 1.481) 1.536 9.664 ( 0.000 0.408 1.481) 1.536 9.753 ( 0.000 -1.559 -0.088) 1.562 9.753 ( 0.000 1.559 -0.088) 1.562 10.135 ( 0.000 -2.560 -1.322) 2.881 10.135 ( 0.000 2.560 -1.322) 2.881 10.317 ( 0.000 -1.207 -1.387) 1.838 10.317 ( 0.000 1.207 -1.387) 1.838 11.097 ( 0.000 -5.125 -0.338) 5.137 11.097 ( 0.000 5.125 -0.338) 5.137 11.252 ( 0.000 -9.094 -2.313) 9.384 11.252 ( 0.000 9.094 -2.313) 9.384 12.386 ( 0.000 -3.742 10.260) 10.921 12.386 ( 0.000 3.742 10.260) 10.921 12.850 ( 0.000 -1.798 0.209) 1.810 12.850 ( 0.000 1.798 0.209) 1.810 13.403 ( 0.000 -6.893 2.004) 7.178 13.403 ( 0.000 6.893 2.004) 7.178 14.079 ( 0.000 -2.839 -9.902) 10.301 14.079 ( 0.000 2.839 -9.902) 10.301 14.641 ( 0.000 -6.252 10.890) 12.557 14.641 ( 0.000 6.252 10.890) 12.557 15.110 ( 0.000 -3.598 -2.088) 4.160 15.110 ( 0.000 3.598 -2.088) 4.160 15.296 ( 0.000 -3.393 -1.479) 3.701 15.296 ( 0.000 3.393 -1.479) 3.701 16.078 ( 0.000 -3.457 -3.126) 4.661 16.078 ( 0.000 3.457 -3.126) 4.661 16.447 ( 0.000 -4.821 2.343) 5.360 16.447 ( 0.000 4.821 2.343) 5.360 16.776 ( 0.000 -5.026 -1.364) 5.208 16.776 ( 0.000 5.026 -1.364) 5.208 17.412 ( 0.000 -0.528 0.064) 0.532 17.412 ( 0.000 0.528 0.064) 0.532 17.699 ( 0.000 -1.823 -0.053) 1.824 17.699 ( 0.000 1.823 -0.053) 1.824 18.308 ( 0.000 -6.288 2.983) 6.960 18.308 ( 0.000 6.288 2.983) 6.960 18.825 ( 0.000 -4.231 -3.158) 5.280 18.825 ( 0.000 4.231 -3.158) 5.280 19.221 ( 0.000 -2.398 1.764) 2.977 19.221 ( 0.000 2.398 1.764) 2.977 19.371 ( 0.000 -1.228 -0.380) 1.286 19.371 ( 0.000 1.228 -0.380) 1.286 19.977 ( 0.000 -8.164 5.028) 9.588 19.977 ( 0.000 8.164 5.028) 9.588 20.518 ( 0.000 -5.594 -7.126) 9.060 20.518 ( 0.000 5.594 -7.126) 9.060 21.054 ( 0.000 -5.733 1.648) 5.966 21.054 ( 0.000 5.733 1.648) 5.966 21.350 ( 0.000 -1.916 -8.905) 9.109 21.350 ( 0.000 1.916 -8.905) 9.109 21.908 ( 0.000 -0.562 4.609) 4.643 21.908 ( 0.000 0.562 4.609) 4.643 22.514 ( 0.000 -3.803 0.686) 3.865 22.514 ( 0.000 3.803 0.686) 3.865 ======================= Grid point 112 (44/72) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 5.465 -13.894 13.145) 19.892 1.689 ( 5.465 13.894 13.145) 19.892 1.786 ( 5.047 -17.097 8.879) 19.915 1.786 ( 5.047 17.097 8.879) 19.915 2.497 ( -0.214 -8.405 -8.454) 11.923 2.497 ( -0.214 8.405 -8.454) 11.923 2.654 ( 3.729 -9.943 -8.233) 13.437 2.654 ( 3.729 9.943 -8.233) 13.437 2.912 ( 2.400 -7.494 0.916) 7.922 2.912 ( 2.400 7.494 0.916) 7.922 3.057 ( -0.467 -7.005 8.182) 10.781 3.057 ( -0.467 7.005 8.182) 10.781 3.265 ( 4.351 -10.223 4.921) 12.152 3.265 ( 4.351 10.223 4.921) 12.152 3.458 ( 0.145 -2.407 1.561) 2.873 3.458 ( 0.145 2.407 1.561) 2.873 3.593 ( -0.219 -6.310 -5.118) 8.127 3.593 ( -0.219 6.310 -5.118) 8.127 3.880 ( -1.361 -8.210 0.592) 8.343 3.880 ( -1.361 8.210 0.592) 8.343 4.086 ( -3.732 -5.684 0.739) 6.840 4.086 ( -3.732 5.684 0.739) 6.840 4.530 ( 2.601 -6.813 -11.295) 13.444 4.530 ( 2.601 6.813 -11.295) 13.444 4.888 ( -1.016 -7.761 0.286) 7.833 4.888 ( -1.016 7.761 0.286) 7.833 5.307 ( -5.386 -3.064 -3.820) 7.279 5.307 ( -5.386 3.064 -3.820) 7.279 5.540 ( 2.471 -3.216 1.863) 4.463 5.540 ( 2.471 3.216 1.863) 4.463 5.661 ( 3.881 -5.463 2.968) 7.329 5.661 ( 3.881 5.463 2.968) 7.329 5.809 ( 2.526 -5.789 -1.148) 6.419 5.809 ( 2.526 5.789 -1.148) 6.419 6.014 ( 1.536 -3.066 -5.290) 6.304 6.014 ( 1.536 3.066 -5.290) 6.304 6.261 ( 1.146 -4.342 4.794) 6.569 6.261 ( 1.146 4.342 4.794) 6.569 6.419 ( -4.114 -3.324 3.123) 6.142 6.419 ( -4.114 3.324 3.123) 6.142 7.524 ( -0.814 -3.167 1.193) 3.481 7.524 ( -0.814 3.167 1.193) 3.481 7.876 ( -1.561 -4.492 -0.873) 4.835 7.876 ( -1.561 4.492 -0.873) 4.835 8.051 ( 0.907 -3.192 -0.100) 3.320 8.051 ( 0.907 3.192 -0.100) 3.320 8.298 ( -0.933 -4.617 0.941) 4.804 8.298 ( -0.933 4.617 0.941) 4.804 8.755 ( -3.165 -9.065 2.551) 9.935 8.755 ( -3.165 9.065 2.551) 9.935 9.042 ( -7.203 -4.824 -3.612) 9.392 9.042 ( -7.203 4.824 -3.612) 9.392 9.628 ( -0.223 -3.094 2.711) 4.120 9.628 ( -0.223 3.094 2.711) 4.120 9.852 ( 4.980 -1.172 -2.638) 5.756 9.852 ( 4.980 1.172 -2.638) 5.756 10.181 ( 4.304 -2.965 -1.903) 5.563 10.181 ( 4.304 2.965 -1.903) 5.563 10.337 ( 2.562 -2.449 -0.629) 3.599 10.337 ( 2.562 2.449 -0.629) 3.599 11.162 ( 6.277 -2.772 -0.080) 6.862 11.162 ( 6.277 2.772 -0.080) 6.862 11.337 ( 8.138 -6.010 -3.142) 10.593 11.337 ( 8.138 6.010 -3.142) 10.593 12.382 ( -0.220 -3.160 10.274) 10.751 12.382 ( -0.220 3.160 10.274) 10.751 12.854 ( 0.427 -1.371 -0.059) 1.437 12.854 ( 0.427 1.371 -0.059) 1.437 13.442 ( 3.745 -7.214 2.184) 8.416 13.442 ( 3.745 7.214 2.184) 8.416 13.985 ( -8.877 -2.226 -7.915) 12.100 13.985 ( -8.877 2.226 -7.915) 12.100 14.620 ( -1.617 -4.452 7.956) 9.259 14.620 ( -1.617 4.452 7.956) 9.259 15.041 ( -5.572 -3.289 -2.896) 7.089 15.041 ( -5.572 3.289 -2.896) 7.089 15.314 ( 0.439 -2.459 1.441) 2.884 15.314 ( 0.439 2.459 1.441) 2.884 16.042 ( -4.032 -5.248 -3.950) 7.707 16.042 ( -4.032 5.248 -3.950) 7.707 16.450 ( 0.576 -4.355 1.822) 4.755 16.450 ( 0.576 4.355 1.822) 4.755 16.809 ( 3.080 -4.582 -0.651) 5.559 16.809 ( 3.080 4.582 -0.651) 5.559 17.450 ( 3.938 -2.272 0.612) 4.588 17.450 ( 3.938 2.272 0.612) 4.588 17.757 ( 5.128 -3.550 -1.333) 6.378 17.757 ( 5.128 3.550 -1.333) 6.378 18.332 ( 2.329 -6.249 2.420) 7.094 18.332 ( 2.329 6.249 2.420) 7.094 18.810 ( -1.938 -4.208 -2.390) 5.213 18.810 ( -1.938 4.208 -2.390) 5.213 19.185 ( -2.440 -2.992 1.664) 4.204 19.185 ( -2.440 2.992 1.664) 4.204 19.346 ( -2.562 -2.994 -0.414) 3.963 19.346 ( -2.562 2.994 -0.414) 3.963 20.015 ( 3.261 -7.375 4.499) 9.234 20.015 ( 3.261 7.375 4.499) 9.234 20.508 ( -0.942 -5.840 -6.138) 8.525 20.508 ( -0.942 5.840 -6.138) 8.525 21.046 ( -0.755 -5.492 1.555) 5.758 21.046 ( -0.755 5.492 1.555) 5.758 21.326 ( -2.458 -2.591 -7.807) 8.585 21.326 ( -2.458 2.591 -7.807) 8.585 21.902 ( -0.330 -0.792 4.342) 4.426 21.902 ( -0.330 0.792 4.342) 4.426 22.510 ( -0.659 -4.502 -0.007) 4.550 22.510 ( -0.659 4.502 -0.007) 4.550 ======================= Grid point 114 (45/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 6.584 -15.456 10.922) 20.038 1.804 ( 6.584 15.456 10.922) 20.038 1.938 ( 10.103 -14.808 7.056) 19.265 1.938 ( 10.103 14.808 7.056) 19.265 2.494 ( -0.409 -5.383 -7.820) 9.502 2.494 ( -0.409 5.383 -7.820) 9.502 2.739 ( 4.266 -6.035 -6.869) 10.090 2.739 ( 4.266 6.035 -6.869) 10.090 2.930 ( -0.160 -0.715 -0.848) 1.120 2.930 ( -0.160 0.715 -0.848) 1.120 3.068 ( 1.255 -6.091 3.523) 7.147 3.068 ( 1.255 6.091 3.523) 7.147 3.301 ( -2.361 -2.474 2.789) 4.413 3.301 ( -2.361 2.474 2.789) 4.413 3.507 ( 4.416 -5.636 2.888) 7.721 3.507 ( 4.416 5.636 2.888) 7.721 3.603 ( 1.638 -7.209 -3.358) 8.119 3.603 ( 1.638 7.209 -3.358) 8.119 3.810 ( -4.871 -2.126 -0.457) 5.335 3.810 ( -4.871 2.126 -0.457) 5.335 4.063 ( 1.919 -8.930 2.555) 9.484 4.063 ( 1.919 8.930 2.555) 9.484 4.576 ( 1.708 -4.409 -4.464) 6.503 4.576 ( 1.708 4.409 -4.464) 6.503 4.870 ( -0.347 -8.053 -3.069) 8.625 4.870 ( -0.347 8.053 -3.069) 8.625 5.203 ( -5.070 -4.113 -2.647) 7.045 5.203 ( -5.070 4.113 -2.647) 7.045 5.554 ( -0.442 -2.778 4.324) 5.159 5.554 ( -0.442 2.778 4.324) 5.159 5.723 ( 1.244 -8.538 0.512) 8.643 5.723 ( 1.244 8.538 0.512) 8.643 5.919 ( 7.733 -3.852 -1.419) 8.755 5.919 ( 7.733 3.852 -1.419) 8.755 6.030 ( 0.636 -2.714 -2.254) 3.585 6.030 ( 0.636 2.714 -2.254) 3.585 6.269 ( -0.757 -4.457 2.612) 5.221 6.269 ( -0.757 4.457 2.612) 5.221 6.348 ( -2.096 -4.053 1.169) 4.711 6.348 ( -2.096 4.053 1.169) 4.711 7.519 ( 0.544 -4.225 2.042) 4.724 7.519 ( 0.544 4.225 2.042) 4.724 7.842 ( -1.783 -4.007 -1.314) 4.579 7.842 ( -1.783 4.007 -1.314) 4.579 8.054 ( -0.969 -3.959 0.542) 4.112 8.054 ( -0.969 3.959 0.542) 4.112 8.266 ( -2.785 -5.367 0.343) 6.056 8.266 ( -2.785 5.367 0.343) 6.056 8.673 ( -4.567 -7.348 2.534) 9.015 8.673 ( -4.567 7.348 2.534) 9.015 8.913 ( -5.304 -5.606 -2.600) 8.144 8.913 ( -5.304 5.606 -2.600) 8.144 9.659 ( 2.786 -2.893 2.604) 4.787 9.659 ( 2.786 2.893 2.604) 4.787 9.901 ( 0.688 -2.257 -2.990) 3.809 9.901 ( 0.688 2.257 -2.990) 3.809 10.265 ( 3.732 -2.306 -1.014) 4.503 10.265 ( 3.732 2.306 -1.014) 4.503 10.425 ( 6.084 -1.776 -1.541) 6.523 10.425 ( 6.084 1.776 -1.541) 6.523 11.311 ( 8.252 -1.126 0.627) 8.352 11.311 ( 8.252 1.126 0.627) 8.352 11.519 ( 9.400 -3.114 -4.498) 10.876 11.519 ( 9.400 3.114 -4.498) 10.876 12.389 ( 1.283 -2.017 9.748) 10.037 12.389 ( 1.283 2.017 9.748) 10.037 12.862 ( 0.204 -1.438 -0.658) 1.594 12.862 ( 0.204 1.438 -0.658) 1.594 13.521 ( 3.200 -8.257 2.064) 9.093 13.521 ( 3.200 8.257 2.064) 9.093 13.801 ( -7.946 -4.789 -4.397) 10.267 13.801 ( -7.946 4.789 -4.397) 10.267 14.597 ( -0.706 -3.429 3.367) 4.857 14.597 ( -0.706 3.429 3.367) 4.857 14.929 ( -5.571 -2.635 -2.140) 6.524 14.929 ( -5.571 2.635 -2.140) 6.524 15.293 ( -2.444 -2.707 4.046) 5.447 15.293 ( -2.444 2.707 4.046) 5.447 15.919 ( -8.456 -6.967 -5.610) 12.309 15.919 ( -8.456 6.967 -5.610) 12.309 16.480 ( 2.748 -1.966 1.934) 3.894 16.480 ( 2.748 1.966 1.934) 3.894 16.883 ( 4.178 -5.095 0.462) 6.606 16.883 ( 4.178 5.095 0.462) 6.606 17.548 ( 5.546 -3.418 0.699) 6.552 17.548 ( 5.546 3.418 0.699) 6.552 17.860 ( 4.829 -4.556 -3.045) 7.304 17.860 ( 4.829 4.556 -3.045) 7.304 18.390 ( 3.463 -6.537 1.468) 7.542 18.390 ( 3.463 6.537 1.468) 7.542 18.743 ( -4.526 -4.467 -0.715) 6.400 18.743 ( -4.526 4.467 -0.715) 6.400 19.163 ( 0.092 -4.640 1.168) 4.785 19.163 ( 0.092 4.640 1.168) 4.785 19.294 ( -2.083 -3.733 -0.359) 4.290 19.294 ( -2.083 3.733 -0.359) 4.290 20.075 ( 2.642 -7.234 3.273) 8.368 20.075 ( 2.642 7.234 3.273) 8.368 20.484 ( -1.499 -7.004 -4.079) 8.243 20.484 ( -1.499 7.004 -4.079) 8.243 21.029 ( -0.983 -5.394 1.070) 5.587 21.029 ( -0.983 5.394 1.070) 5.587 21.257 ( -4.488 -4.330 -5.447) 8.280 21.257 ( -4.488 4.330 -5.447) 8.280 21.910 ( 1.358 -2.065 3.509) 4.292 21.910 ( 1.358 2.065 3.509) 4.292 22.479 ( -2.645 -4.612 -0.974) 5.405 22.479 ( -2.645 4.612 -0.974) 5.405 ======================= Grid point 116 (46/72) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 9.948 -8.885 6.846) 14.993 1.963 ( 9.948 8.885 6.846) 14.993 2.135 ( 9.180 -8.082 4.345) 12.980 2.135 ( 9.180 8.082 4.345) 12.980 2.483 ( 0.083 -3.110 -3.092) 4.386 2.483 ( 0.083 3.110 -3.092) 4.386 2.776 ( -1.428 -1.192 -4.755) 5.106 2.776 ( -1.428 1.192 -4.755) 5.106 2.942 ( 2.050 -1.374 -3.733) 4.474 2.942 ( 2.050 1.374 -3.733) 4.474 3.072 ( -2.072 -4.628 -0.030) 5.071 3.072 ( -2.072 4.628 -0.030) 5.071 3.214 ( -4.823 -3.104 1.060) 5.832 3.214 ( -4.823 3.104 1.060) 5.832 3.524 ( -2.781 -4.262 -2.286) 5.579 3.524 ( -2.781 4.262 -2.286) 5.579 3.632 ( 0.635 -5.058 1.703) 5.375 3.632 ( 0.635 5.058 1.703) 5.375 3.772 ( 0.776 -3.198 0.065) 3.291 3.772 ( 0.776 3.198 0.065) 3.291 4.159 ( 7.666 -10.605 4.199) 13.743 4.159 ( 7.666 10.605 4.199) 13.743 4.594 ( 0.454 -4.483 2.035) 4.944 4.594 ( 0.454 4.483 2.035) 4.944 4.880 ( 0.923 -8.522 -4.957) 9.902 4.880 ( 0.923 8.522 -4.957) 9.902 5.116 ( -3.948 -6.069 -1.929) 7.493 5.116 ( -3.948 6.069 -1.929) 7.493 5.537 ( -0.957 -1.036 3.257) 3.549 5.537 ( -0.957 1.036 3.257) 3.549 5.702 ( -2.990 -7.245 -0.430) 7.849 5.702 ( -2.990 7.245 -0.430) 7.849 6.010 ( 1.440 -4.619 0.332) 4.850 6.010 ( 1.440 4.619 0.332) 4.850 6.100 ( 5.969 -7.007 -1.661) 9.354 6.100 ( 5.969 7.007 -1.661) 9.354 6.259 ( 0.534 -3.301 0.378) 3.365 6.259 ( 0.534 3.301 0.378) 3.365 6.334 ( 0.109 -4.051 0.728) 4.117 6.334 ( 0.109 4.051 0.728) 4.117 7.552 ( 2.932 -4.700 2.390) 6.033 7.552 ( 2.932 4.700 2.390) 6.033 7.810 ( -1.634 -3.940 -1.194) 4.430 7.810 ( -1.634 3.940 -1.194) 4.430 8.009 ( -3.569 -4.888 1.348) 6.201 8.009 ( -3.569 4.888 1.348) 6.201 8.174 ( -6.592 -5.776 -0.565) 8.783 8.174 ( -6.592 5.776 -0.565) 8.783 8.617 ( -0.665 -7.468 2.296) 7.841 8.617 ( -0.665 7.468 2.296) 7.841 8.840 ( -2.547 -4.676 -2.428) 5.852 8.840 ( -2.547 4.676 -2.428) 5.852 9.715 ( 2.810 -2.108 1.754) 3.927 9.715 ( 2.810 2.108 1.754) 3.927 9.898 ( -0.848 -2.642 -1.988) 3.413 9.898 ( -0.848 2.642 -1.988) 3.413 10.325 ( 2.671 -2.258 0.793) 3.586 10.325 ( 2.671 2.258 0.793) 3.586 10.545 ( 5.788 -1.168 -3.041) 6.641 10.545 ( 5.788 1.168 -3.041) 6.641 11.452 ( 5.921 -2.063 1.277) 6.398 11.452 ( 5.921 2.063 1.277) 6.398 11.664 ( 5.306 -2.845 -4.499) 7.516 11.664 ( 5.306 2.845 -4.499) 7.516 12.437 ( 3.609 -1.461 7.829) 8.744 12.437 ( 3.609 1.461 7.829) 8.744 12.852 ( -1.509 -3.353 -1.110) 3.840 12.852 ( -1.509 3.353 -1.110) 3.840 13.532 ( -0.656 -7.317 -0.496) 7.363 13.532 ( -0.656 7.317 -0.496) 7.363 13.737 ( 0.127 -8.917 0.303) 8.923 13.737 ( 0.127 8.917 0.303) 8.923 14.590 ( 0.001 -2.622 1.153) 2.864 14.590 ( 0.001 2.622 1.153) 2.864 14.839 ( -3.551 -2.486 -1.514) 4.592 14.839 ( -3.551 2.486 -1.514) 4.592 15.238 ( -2.671 -3.559 4.597) 6.398 15.238 ( -2.671 3.559 4.597) 6.398 15.737 ( -9.846 -6.449 -5.784) 13.114 15.737 ( -9.846 6.449 -5.784) 13.114 16.553 ( 4.477 -1.571 2.707) 5.462 16.553 ( 4.477 1.571 2.707) 5.462 16.951 ( 2.436 -6.391 -0.115) 6.840 16.951 ( 2.436 6.391 -0.115) 6.840 17.652 ( 5.255 -2.734 0.571) 5.952 17.652 ( 5.255 2.734 0.571) 5.952 17.922 ( 1.230 -4.686 -3.684) 6.086 17.922 ( 1.230 4.686 -3.684) 6.086 18.464 ( 4.246 -6.335 1.189) 7.718 18.464 ( 4.246 6.335 1.189) 7.718 18.663 ( -3.250 -5.523 0.234) 6.413 18.663 ( -3.250 5.523 0.234) 6.413 19.166 ( -0.019 -4.349 1.330) 4.547 19.166 ( -0.019 4.349 1.330) 4.547 19.278 ( 0.083 -2.332 -0.904) 2.502 19.278 ( 0.083 2.332 -0.904) 2.502 20.118 ( 2.106 -8.626 1.953) 9.092 20.118 ( 2.106 8.626 1.953) 9.092 20.444 ( -2.907 -8.346 -2.235) 9.116 20.444 ( -2.907 8.346 -2.235) 9.116 21.011 ( -0.737 -4.989 0.130) 5.045 21.011 ( -0.737 4.989 0.130) 5.045 21.167 ( -4.488 -3.800 -3.178) 6.684 21.167 ( -4.488 3.800 -3.178) 6.684 21.953 ( 3.001 -2.411 2.821) 4.772 21.953 ( 3.001 2.411 2.821) 4.772 22.410 ( -4.303 -3.912 -1.408) 5.983 22.410 ( -4.303 3.912 -1.408) 5.983 ======================= Grid point 118 (47/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 7.257 -1.438 2.167) 7.709 2.153 ( 7.257 1.438 2.167) 7.709 2.268 ( 6.096 -4.523 2.720) 8.064 2.268 ( 6.096 4.523 2.720) 8.064 2.530 ( 4.294 -1.799 0.364) 4.670 2.530 ( 4.294 1.799 0.364) 4.670 2.709 ( -4.265 -2.254 -5.864) 7.593 2.709 ( -4.265 2.254 -5.864) 7.593 2.933 ( -4.500 -2.095 -2.031) 5.363 2.933 ( -4.500 2.095 -2.031) 5.363 3.006 ( -3.841 -2.655 -1.272) 4.839 3.006 ( -3.841 2.655 -1.272) 4.839 3.177 ( 2.169 -3.743 2.596) 5.045 3.177 ( 2.169 3.743 2.596) 5.045 3.451 ( -4.287 -3.092 -1.773) 5.575 3.451 ( -4.287 3.092 -1.773) 5.575 3.650 ( 1.444 -7.447 0.211) 7.588 3.650 ( 1.444 7.447 0.211) 7.588 3.772 ( -1.164 -3.370 -0.428) 3.591 3.772 ( -1.164 3.370 -0.428) 3.591 4.320 ( 7.814 -5.953 4.524) 10.815 4.320 ( 7.814 5.953 4.524) 10.815 4.598 ( -0.262 -4.486 3.276) 5.562 4.598 ( -0.262 4.486 3.276) 5.562 4.894 ( 0.609 -6.849 -2.593) 7.349 4.894 ( 0.609 6.849 -2.593) 7.349 5.048 ( -3.160 -5.062 -2.252) 6.378 5.048 ( -3.160 5.062 -2.252) 6.378 5.535 ( 0.994 -3.359 1.690) 3.890 5.535 ( 0.994 3.359 1.690) 3.890 5.634 ( -3.492 -5.878 -0.246) 6.841 5.634 ( -3.492 5.878 -0.246) 6.841 6.029 ( 0.726 -3.963 0.518) 4.062 6.029 ( 0.726 3.963 0.518) 4.062 6.172 ( 1.275 -5.227 -3.626) 6.488 6.172 ( 1.275 5.227 -3.626) 6.488 6.297 ( 2.881 -2.342 1.174) 3.894 6.297 ( 2.881 2.342 1.174) 3.894 6.345 ( 0.763 -4.001 1.150) 4.232 6.345 ( 0.763 4.001 1.150) 4.232 7.626 ( 4.390 -5.653 1.978) 7.426 7.626 ( 4.390 5.653 1.978) 7.426 7.775 ( -2.159 -5.000 -0.371) 5.459 7.775 ( -2.159 5.000 -0.371) 5.459 7.932 ( -3.712 -4.271 1.668) 5.899 7.932 ( -3.712 4.271 1.668) 5.899 8.043 ( -5.918 -3.910 -0.411) 7.105 8.043 ( -5.918 3.910 -0.411) 7.105 8.639 ( 2.318 -5.966 1.057) 6.487 8.639 ( 2.318 5.966 1.057) 6.487 8.800 ( -1.870 -3.719 -2.137) 4.679 8.800 ( -1.870 3.719 -2.137) 4.679 9.767 ( 2.676 -1.721 0.855) 3.294 9.767 ( 2.676 1.721 0.855) 3.294 9.869 ( -2.097 -2.564 -0.946) 3.445 9.869 ( -2.097 2.564 -0.946) 3.445 10.368 ( 1.707 -1.528 1.806) 2.917 10.368 ( 1.707 1.528 1.806) 2.917 10.634 ( 3.292 -0.539 -3.767) 5.032 10.634 ( 3.292 0.539 -3.767) 5.032 11.533 ( 2.557 -1.519 1.700) 3.425 11.533 ( 2.557 1.519 1.700) 3.425 11.727 ( 1.548 -1.835 -3.643) 4.363 11.727 ( 1.548 1.835 -3.643) 4.363 12.514 ( 3.831 -1.474 5.479) 6.846 12.514 ( 3.831 1.474 5.479) 6.846 12.805 ( -2.980 -3.580 -1.075) 4.781 12.805 ( -2.980 3.580 -1.075) 4.781 13.561 ( 3.762 -6.824 -0.735) 7.827 13.561 ( 3.762 6.824 -0.735) 7.827 13.728 ( -1.955 -7.419 1.168) 7.761 13.728 ( -1.955 7.419 1.168) 7.761 14.599 ( 0.927 -1.399 1.241) 2.087 14.599 ( 0.927 1.399 1.241) 2.087 14.785 ( -2.437 -1.451 -1.211) 3.084 14.785 ( -2.437 1.451 -1.211) 3.084 15.214 ( 0.464 -3.147 3.216) 4.523 15.214 ( 0.464 3.147 3.216) 4.523 15.560 ( -7.892 -4.783 -4.436) 10.239 15.560 ( -7.892 4.783 -4.436) 10.239 16.638 ( 3.790 -1.313 3.437) 5.282 16.638 ( 3.790 1.313 3.437) 5.282 16.971 ( -0.062 -4.643 -1.561) 4.899 16.971 ( -0.062 4.643 -1.561) 4.899 17.751 ( 4.933 -3.689 -0.032) 6.160 17.751 ( 4.933 3.689 -0.032) 6.160 17.909 ( -2.219 -6.212 -2.805) 7.168 17.909 ( -2.219 6.212 -2.805) 7.168 18.537 ( 2.653 -6.576 1.513) 7.251 18.537 ( 2.653 6.576 1.513) 7.251 18.631 ( -0.077 -7.349 0.473) 7.365 18.631 ( -0.077 7.349 0.473) 7.365 19.174 ( 1.190 -3.124 0.717) 3.419 19.174 ( 1.190 3.124 0.717) 3.419 19.269 ( -1.482 -1.174 -1.079) 2.177 19.269 ( -1.482 1.174 -1.079) 2.177 20.171 ( 3.598 -9.376 0.882) 10.081 20.171 ( 3.598 9.376 0.882) 10.081 20.368 ( -4.825 -9.358 -1.074) 10.584 20.368 ( -4.825 9.358 -1.074) 10.584 21.004 ( 0.039 -3.413 -0.482) 3.447 21.004 ( 0.039 3.413 -0.482) 3.447 21.095 ( -2.820 -1.823 -1.749) 3.787 21.095 ( -2.820 1.823 -1.749) 3.787 22.017 ( 3.242 -1.798 2.696) 4.584 22.017 ( 3.242 1.798 2.696) 4.584 22.325 ( -4.155 -2.725 -1.672) 5.243 22.325 ( -4.155 2.725 -1.672) 5.243 ======================= Grid point 120 (48/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.000 -0.000 1.047) 1.047 2.203 ( 0.000 0.000 1.047) 1.047 2.372 ( 0.000 -0.000 1.110) 1.110 2.372 ( 0.000 0.000 1.110) 1.110 2.591 ( -0.000 0.000 -0.076) 0.076 2.591 ( 0.000 0.000 -0.076) 0.076 2.639 ( 0.000 -0.000 -3.797) 3.797 2.639 ( 0.000 0.000 -3.797) 3.797 2.903 ( 0.000 -0.000 -2.762) 2.762 2.903 ( 0.000 0.000 -2.762) 2.762 2.919 ( -0.000 -0.000 -0.705) 0.705 2.919 ( -0.000 0.000 -0.705) 0.705 3.237 ( 0.000 0.000 3.515) 3.515 3.237 ( 0.000 0.000 3.515) 3.515 3.385 ( -0.000 -0.000 0.581) 0.581 3.385 ( 0.000 0.000 0.581) 0.581 3.675 ( -0.000 0.000 -1.041) 1.041 3.675 ( 0.000 0.000 -1.041) 1.041 3.748 ( 0.000 -0.000 -1.794) 1.794 3.748 ( 0.000 0.000 -1.794) 1.794 4.411 ( 0.000 -0.000 4.020) 4.020 4.411 ( 0.000 0.000 4.020) 4.020 4.585 ( 0.000 0.000 3.096) 3.096 4.585 ( 0.000 0.000 3.096) 3.096 4.903 ( 0.000 -0.000 -1.256) 1.256 4.903 ( 0.000 0.000 -1.256) 1.256 5.011 ( 0.000 -0.000 -2.075) 2.075 5.011 ( 0.000 0.000 -2.075) 2.075 5.569 ( 0.000 -0.000 0.563) 0.563 5.569 ( 0.000 0.000 0.563) 0.563 5.578 ( -0.000 -0.000 0.510) 0.510 5.578 ( -0.000 0.000 0.510) 0.510 6.037 ( 0.000 -0.000 0.215) 0.215 6.037 ( 0.000 0.000 0.215) 0.215 6.178 ( 0.000 -0.000 -4.444) 4.444 6.178 ( 0.000 0.000 -4.444) 4.444 6.335 ( 0.000 -0.000 1.882) 1.882 6.335 ( 0.000 0.000 1.882) 1.882 6.350 ( 0.000 -0.000 1.161) 1.161 6.350 ( 0.000 0.000 1.161) 1.161 7.695 ( -0.000 -0.000 0.640) 0.640 7.695 ( 0.000 -0.000 0.640) 0.640 7.731 ( 0.000 0.000 1.276) 1.276 7.731 ( 0.000 0.000 1.276) 1.276 7.893 ( 0.000 -0.000 2.009) 2.009 7.893 ( 0.000 0.000 2.009) 2.009 7.980 ( 0.000 0.000 -0.639) 0.639 7.980 ( 0.000 0.000 -0.639) 0.639 8.672 ( 0.000 0.000 0.431) 0.431 8.672 ( 0.000 0.000 0.431) 0.431 8.776 ( 0.000 -0.000 -1.973) 1.973 8.776 ( 0.000 0.000 -1.973) 1.973 9.817 ( 0.000 -0.000 -0.022) 0.022 9.817 ( 0.000 0.000 -0.022) 0.022 9.824 ( 0.000 -0.000 0.031) 0.031 9.824 ( -0.000 0.000 0.031) 0.031 10.386 ( 0.000 0.000 2.107) 2.107 10.386 ( 0.000 0.000 2.107) 2.107 10.667 ( 0.000 0.000 -4.018) 4.018 10.667 ( 0.000 0.000 -4.018) 4.018 11.556 ( 0.000 -0.000 1.876) 1.876 11.556 ( 0.000 0.000 1.876) 1.876 11.739 ( 0.000 -0.000 -3.276) 3.276 11.739 ( 0.000 0.000 -3.276) 3.276 12.558 ( 0.000 0.000 4.545) 4.545 12.558 ( 0.000 0.000 4.545) 4.545 12.768 ( 0.000 -0.000 -0.975) 0.975 12.768 ( 0.000 0.000 -0.975) 0.975 13.637 ( -0.000 -0.000 0.524) 0.524 13.637 ( 0.000 0.000 0.524) 0.524 13.673 ( 0.000 -0.000 -0.178) 0.178 13.673 ( 0.000 0.000 -0.178) 0.178 14.614 ( 0.000 0.000 1.762) 1.762 14.614 ( 0.000 0.000 1.762) 1.762 14.754 ( -0.000 0.000 -0.906) 0.906 14.754 ( 0.000 0.000 -0.906) 0.906 15.232 ( 0.000 0.000 1.748) 1.748 15.232 ( 0.000 0.000 1.748) 1.748 15.470 ( 0.000 0.000 -3.336) 3.336 15.470 ( 0.000 0.000 -3.336) 3.336 16.678 ( 0.000 0.000 3.926) 3.926 16.678 ( 0.000 0.000 3.926) 3.926 16.966 ( 0.000 0.000 -2.422) 2.422 16.966 ( 0.000 0.000 -2.422) 2.422 17.825 ( 0.000 -0.000 -0.976) 0.976 17.825 ( 0.000 0.000 -0.976) 0.976 17.861 ( -0.000 -0.000 -1.684) 1.684 17.861 ( 0.000 0.000 -1.684) 1.684 18.560 ( 0.000 -0.000 2.208) 2.208 18.560 ( 0.000 0.000 2.208) 2.208 18.637 ( 0.000 -0.000 0.177) 0.177 18.637 ( 0.000 0.000 0.177) 0.177 19.204 ( 0.000 -0.000 -0.252) 0.252 19.204 ( 0.000 0.000 -0.252) 0.252 19.234 ( -0.000 -0.000 -0.664) 0.664 19.234 ( 0.000 0.000 -0.664) 0.664 20.239 ( -0.000 0.000 0.300) 0.300 20.239 ( 0.000 0.000 0.300) 0.300 20.287 ( 0.000 -0.000 -0.526) 0.526 20.287 ( 0.000 -0.000 -0.526) 0.526 21.008 ( 0.000 -0.000 -0.352) 0.352 21.008 ( 0.000 0.000 -0.352) 0.352 21.065 ( 0.000 -0.000 -1.550) 1.550 21.065 ( 0.000 0.000 -1.550) 1.550 22.055 ( 0.000 0.000 2.988) 2.988 22.055 ( 0.000 0.000 2.988) 2.988 22.277 ( 0.000 0.000 -2.045) 2.045 22.277 ( 0.000 0.000 -2.045) 2.045 ======================= Grid point 154 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.000 0.000 25.651) 25.651 1.226 ( 0.000 0.000 28.129) 28.129 1.608 ( 0.000 0.000 -22.502) 22.502 1.745 ( 0.000 0.000 -19.107) 19.107 2.221 ( 0.000 0.000 42.236) 42.236 2.661 ( 0.000 0.000 11.544) 11.544 2.676 ( 0.000 0.000 2.195) 2.195 2.793 ( 0.000 0.000 -0.085) 0.085 2.826 ( 0.000 0.000 -3.149) 3.149 3.002 ( 0.000 0.000 1.621) 1.621 3.042 ( 0.000 0.000 -3.464) 3.464 3.150 ( 0.000 0.000 2.703) 2.703 3.154 ( 0.000 0.000 -34.544) 34.544 3.246 ( 0.000 0.000 -5.724) 5.724 3.445 ( 0.000 0.000 4.037) 4.037 3.509 ( 0.000 0.000 -2.369) 2.369 3.569 ( 0.000 0.000 6.529) 6.529 3.646 ( 0.000 0.000 -2.476) 2.476 3.885 ( 0.000 0.000 1.698) 1.698 3.947 ( 0.000 0.000 -5.924) 5.924 4.073 ( 0.000 0.000 2.915) 2.915 4.178 ( 0.000 0.000 -5.966) 5.966 4.650 ( 0.000 0.000 5.063) 5.063 4.776 ( 0.000 0.000 -5.392) 5.392 4.865 ( 0.000 0.000 -0.892) 0.892 4.870 ( 0.000 0.000 1.678) 1.678 5.106 ( 0.000 0.000 -2.740) 2.740 5.109 ( 0.000 0.000 -1.603) 1.603 5.185 ( 0.000 0.000 6.580) 6.580 5.301 ( 0.000 0.000 -3.826) 3.826 5.587 ( 0.000 0.000 0.858) 0.858 5.618 ( 0.000 0.000 -1.633) 1.633 5.735 ( 0.000 0.000 5.127) 5.127 5.804 ( 0.000 0.000 -0.710) 0.710 6.008 ( 0.000 0.000 1.238) 1.238 6.027 ( 0.000 0.000 -0.379) 0.379 6.257 ( 0.000 0.000 1.081) 1.081 6.296 ( 0.000 0.000 -2.003) 2.003 6.712 ( 0.000 0.000 4.770) 4.770 6.781 ( 0.000 0.000 -2.101) 2.101 7.379 ( 0.000 0.000 1.667) 1.667 7.426 ( 0.000 0.000 -2.912) 2.912 7.890 ( 0.000 0.000 0.028) 0.028 7.895 ( 0.000 0.000 -0.493) 0.493 8.109 ( 0.000 0.000 2.157) 2.157 8.159 ( 0.000 0.000 -2.434) 2.434 8.393 ( 0.000 0.000 5.107) 5.107 8.460 ( 0.000 0.000 -0.861) 0.861 8.792 ( 0.000 0.000 -1.033) 1.033 8.819 ( 0.000 0.000 -3.083) 3.083 9.195 ( 0.000 0.000 1.529) 1.529 9.219 ( 0.000 0.000 -0.743) 0.743 9.673 ( 0.000 0.000 5.044) 5.044 9.722 ( 0.000 0.000 2.494) 2.494 9.730 ( 0.000 0.000 -0.452) 0.452 9.781 ( 0.000 0.000 -2.626) 2.626 10.124 ( 0.000 0.000 0.107) 0.107 10.144 ( 0.000 0.000 -2.072) 2.072 10.208 ( 0.000 0.000 -0.388) 0.388 10.246 ( 0.000 0.000 -3.380) 3.380 10.718 ( 0.000 0.000 3.438) 3.438 10.784 ( 0.000 0.000 -2.892) 2.892 11.448 ( 0.000 0.000 4.512) 4.512 11.553 ( 0.000 0.000 -5.500) 5.500 12.644 ( 0.000 0.000 7.595) 7.595 12.762 ( 0.000 0.000 -3.565) 3.565 12.865 ( 0.000 0.000 1.602) 1.602 12.908 ( 0.000 0.000 -2.307) 2.307 13.595 ( 0.000 0.000 0.741) 0.741 13.621 ( 0.000 0.000 -1.503) 1.503 13.773 ( 0.000 0.000 3.265) 3.265 13.867 ( 0.000 0.000 -6.035) 6.035 14.576 ( 0.000 0.000 0.942) 0.942 14.599 ( 0.000 0.000 -1.299) 1.299 15.108 ( 0.000 0.000 6.425) 6.425 15.150 ( 0.000 0.000 4.632) 4.632 15.157 ( 0.000 0.000 -1.439) 1.439 15.288 ( 0.000 0.000 -5.377) 5.377 16.007 ( 0.000 0.000 4.212) 4.212 16.091 ( 0.000 0.000 -3.852) 3.852 16.413 ( 0.000 0.000 -0.897) 0.897 16.439 ( 0.000 0.000 -3.722) 3.722 17.101 ( 0.000 0.000 0.942) 0.942 17.120 ( 0.000 0.000 -1.111) 1.111 17.262 ( 0.000 0.000 5.061) 5.061 17.333 ( 0.000 0.000 -1.721) 1.721 17.964 ( 0.000 0.000 1.231) 1.231 17.996 ( 0.000 0.000 -1.763) 1.763 18.165 ( 0.000 0.000 6.497) 6.497 18.312 ( 0.000 0.000 -7.508) 7.508 18.679 ( 0.000 0.000 2.021) 2.021 18.707 ( 0.000 0.000 -0.741) 0.741 19.129 ( 0.000 0.000 1.674) 1.674 19.181 ( 0.000 0.000 -3.232) 3.232 19.283 ( 0.000 0.000 1.303) 1.303 19.307 ( 0.000 0.000 -0.991) 0.991 19.685 ( 0.000 0.000 0.586) 0.586 19.698 ( 0.000 0.000 -0.603) 0.603 20.415 ( 0.000 0.000 4.011) 4.011 20.485 ( 0.000 0.000 -2.690) 2.690 20.845 ( 0.000 0.000 11.667) 11.667 21.067 ( 0.000 0.000 -7.718) 7.718 21.215 ( 0.000 0.000 -2.683) 2.683 21.225 ( 0.000 0.000 -2.111) 2.111 22.031 ( 0.000 0.000 1.524) 1.524 22.061 ( 0.000 0.000 -1.336) 1.336 22.669 ( 0.000 0.000 1.063) 1.063 22.691 ( 0.000 0.000 -0.982) 0.982 ======================= Grid point 155 (50/72) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 12.431 0.000 21.862) 25.149 1.372 ( 12.845 0.000 21.913) 25.400 1.721 ( 10.417 0.000 -19.661) 22.250 1.850 ( 9.454 0.000 -18.164) 20.478 2.369 ( 15.242 0.000 38.088) 41.025 2.670 ( 1.266 0.000 12.438) 12.502 2.729 ( 4.625 0.000 3.907) 6.054 2.805 ( 1.614 0.000 -1.501) 2.204 2.838 ( 0.815 0.000 -3.098) 3.203 2.974 ( -3.304 0.000 0.549) 3.350 3.009 ( -3.008 0.000 -3.715) 4.780 3.115 ( -1.053 0.000 -4.170) 4.301 3.232 ( -0.921 0.000 -5.425) 5.502 3.249 ( 5.499 0.000 -20.795) 21.510 3.440 ( 0.404 0.000 3.123) 3.149 3.492 ( -2.014 0.000 -2.073) 2.890 3.556 ( -0.846 0.000 4.246) 4.329 3.611 ( -2.633 0.000 -2.448) 3.595 3.861 ( -2.585 0.000 0.747) 2.691 3.921 ( -3.207 0.000 -5.906) 6.721 4.017 ( -4.700 0.000 2.773) 5.457 4.125 ( -4.833 0.000 -6.690) 8.253 4.635 ( -2.102 0.000 6.348) 6.688 4.767 ( -2.023 0.000 -5.235) 5.612 4.818 ( -0.500 0.000 3.326) 3.363 4.921 ( 1.201 0.000 -5.740) 5.864 5.056 ( -1.146 0.000 1.848) 2.174 5.117 ( -0.928 0.000 -2.888) 3.034 5.198 ( 0.943 0.000 6.712) 6.778 5.318 ( 1.528 0.000 -4.122) 4.396 5.589 ( 0.938 0.000 2.056) 2.260 5.632 ( 0.536 0.000 -1.681) 1.764 5.801 ( 5.388 0.000 3.233) 6.284 5.854 ( 4.438 0.000 -1.113) 4.575 6.057 ( 4.951 0.000 0.855) 5.024 6.075 ( 4.827 0.000 -0.563) 4.859 6.270 ( 1.086 0.000 1.929) 2.214 6.317 ( 1.824 0.000 -2.179) 2.841 6.661 ( -5.010 0.000 4.965) 7.054 6.738 ( -4.646 0.000 -2.651) 5.349 7.381 ( 0.436 0.000 1.868) 1.918 7.434 ( 0.733 0.000 -3.215) 3.298 7.879 ( -1.808 0.000 0.283) 1.830 7.881 ( -0.836 0.000 -0.256) 0.875 8.078 ( -2.308 0.000 2.845) 3.664 8.126 ( -2.392 0.000 -1.171) 2.663 8.416 ( 1.585 0.000 5.698) 5.915 8.494 ( 3.006 0.000 -1.165) 3.224 8.679 ( -8.775 0.000 -1.193) 8.856 8.712 ( -8.960 0.000 -3.639) 9.671 9.214 ( -0.073 0.000 2.390) 2.391 9.261 ( 0.984 0.000 -1.986) 2.216 9.631 ( -2.206 0.000 2.868) 3.618 9.667 ( -1.519 0.000 1.085) 1.867 9.754 ( -1.986 0.000 -0.879) 2.172 9.776 ( -0.157 0.000 -1.558) 1.566 10.173 ( 4.409 0.000 0.930) 4.506 10.190 ( 1.677 0.000 0.654) 1.800 10.236 ( 6.913 0.000 -0.168) 6.915 10.320 ( 6.295 0.000 -6.065) 8.741 10.821 ( 9.489 0.000 2.580) 9.834 10.870 ( 8.063 0.000 -2.106) 8.333 11.495 ( 4.520 0.000 3.566) 5.757 11.588 ( 3.369 0.000 -5.132) 6.139 12.636 ( -0.719 0.000 6.978) 7.015 12.747 ( -1.403 0.000 -3.571) 3.837 12.870 ( 0.548 0.000 2.796) 2.849 12.930 ( 1.422 0.000 -2.734) 3.082 13.369 ( -14.138 0.000 13.435) 19.503 13.589 ( -7.692 0.000 -8.222) 11.259 13.849 ( 4.367 0.000 -0.310) 4.378 13.897 ( 5.103 0.000 -4.317) 6.684 14.562 ( -2.604 0.000 0.981) 2.782 14.573 ( -0.982 0.000 -0.258) 1.015 14.949 ( -7.683 0.000 5.745) 9.593 15.029 ( -7.416 0.000 -2.336) 7.775 15.324 ( 4.053 0.000 0.550) 4.090 15.334 ( 4.189 0.000 -0.458) 4.214 15.926 ( -8.798 0.000 6.747) 11.087 16.077 ( -3.184 0.000 -7.452) 8.104 16.381 ( -1.478 0.000 -0.879) 1.719 16.399 ( -0.386 0.000 -2.182) 2.216 17.138 ( 1.862 0.000 4.459) 4.832 17.228 ( 5.449 0.000 -3.265) 6.352 17.261 ( 2.130 0.000 2.389) 3.201 17.329 ( 1.102 0.000 -2.777) 2.988 17.944 ( -1.402 0.000 2.769) 3.104 17.997 ( -0.048 0.000 -1.904) 1.905 18.171 ( 1.244 0.000 7.793) 7.891 18.341 ( 3.626 0.000 -8.417) 9.165 18.717 ( 3.358 0.000 1.651) 3.742 18.745 ( 3.234 0.000 -0.917) 3.362 19.130 ( -0.079 0.000 1.584) 1.586 19.177 ( -0.311 0.000 -2.900) 2.917 19.370 ( 5.407 0.000 2.125) 5.810 19.452 ( 11.969 0.000 -6.958) 13.844 19.697 ( 1.239 0.000 0.123) 1.245 19.701 ( 0.310 0.000 -0.168) 0.353 20.389 ( -0.898 0.000 4.138) 4.235 20.470 ( -1.110 0.000 -3.507) 3.679 20.867 ( 1.802 0.000 10.332) 10.488 21.070 ( -0.205 0.000 -7.764) 7.767 21.176 ( -2.514 0.000 1.483) 2.919 21.245 ( 0.770 0.000 -4.739) 4.801 22.026 ( -0.708 0.000 1.632) 1.779 22.056 ( -0.456 0.000 -1.328) 1.405 22.568 ( -7.557 0.000 5.713) 9.474 22.665 ( -3.943 0.000 -4.330) 5.856 ======================= Grid point 156 (51/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 17.366 0.000 15.380) 23.198 1.648 ( 15.220 0.000 14.528) 21.041 1.952 ( 12.508 0.000 -14.227) 18.943 2.043 ( 9.368 0.000 -13.603) 16.517 2.611 ( 0.698 0.000 12.884) 12.902 2.775 ( 8.413 0.000 9.219) 12.481 2.824 ( -4.225 0.000 -5.865) 7.228 2.847 ( 1.602 0.000 1.587) 2.255 2.859 ( 0.390 0.000 6.797) 6.808 2.907 ( 11.895 0.000 8.339) 14.527 2.951 ( -2.614 0.000 -4.582) 5.275 3.090 ( -2.071 0.000 0.582) 2.151 3.209 ( -0.656 0.000 -2.048) 2.150 3.297 ( -1.135 0.000 -3.029) 3.235 3.415 ( -3.757 0.000 2.393) 4.454 3.469 ( -1.988 0.000 0.300) 2.010 3.548 ( -0.659 0.000 0.127) 0.671 3.634 ( 6.626 0.000 -10.885) 12.743 3.804 ( -1.496 0.000 -1.286) 1.973 3.845 ( -2.941 0.000 -5.180) 5.957 3.937 ( -2.804 0.000 1.486) 3.173 4.037 ( -2.181 0.000 -8.699) 8.968 4.560 ( -5.069 0.000 6.703) 8.404 4.683 ( -6.621 0.000 -3.368) 7.429 4.830 ( 0.434 0.000 2.420) 2.458 4.915 ( -0.775 0.000 -4.578) 4.643 5.070 ( 1.815 0.000 1.843) 2.587 5.114 ( 1.559 0.000 -2.256) 2.743 5.235 ( 2.923 0.000 5.734) 6.436 5.357 ( 2.479 0.000 -4.924) 5.513 5.600 ( -0.167 0.000 3.704) 3.707 5.645 ( 0.878 0.000 -1.432) 1.679 5.890 ( 3.163 0.000 2.497) 4.029 5.934 ( 3.292 0.000 -1.611) 3.665 6.186 ( 7.677 0.000 0.221) 7.680 6.204 ( 7.802 0.000 -0.883) 7.852 6.291 ( 1.316 0.000 3.521) 3.759 6.352 ( 1.649 0.000 -2.415) 2.924 6.534 ( -7.597 0.000 3.597) 8.405 6.599 ( -9.407 0.000 -2.577) 9.754 7.401 ( 1.657 0.000 1.989) 2.589 7.455 ( 1.476 0.000 -3.129) 3.459 7.830 ( -2.802 0.000 2.190) 3.556 7.855 ( -1.869 0.000 -0.779) 2.025 8.050 ( -0.515 0.000 3.228) 3.269 8.091 ( -1.270 0.000 -0.358) 1.320 8.428 ( -2.509 0.000 5.558) 6.098 8.494 ( -3.979 0.000 2.441) 4.668 8.520 ( -9.636 0.000 -4.077) 10.463 8.583 ( 0.817 0.000 -5.003) 5.069 9.176 ( -3.146 0.000 1.515) 3.492 9.216 ( -4.480 0.000 -1.940) 4.882 9.609 ( -0.668 0.000 2.359) 2.451 9.649 ( -1.082 0.000 0.150) 1.092 9.721 ( -1.189 0.000 -1.652) 2.035 9.737 ( -3.130 0.000 -1.948) 3.687 10.263 ( 5.705 0.000 3.788) 6.848 10.285 ( 6.576 0.000 0.565) 6.600 10.391 ( 8.183 0.000 -1.014) 8.246 10.459 ( 7.328 0.000 -6.418) 9.741 11.035 ( 11.666 0.000 1.299) 11.738 11.056 ( 10.312 0.000 -0.530) 10.326 11.602 ( 5.946 0.000 1.860) 6.230 11.669 ( 4.675 0.000 -4.386) 6.411 12.621 ( -0.653 0.000 5.748) 5.785 12.714 ( -1.845 0.000 -3.077) 3.587 12.882 ( -0.194 0.000 4.348) 4.353 12.916 ( -3.071 0.000 2.530) 3.979 13.174 ( -4.052 0.000 9.524) 10.350 13.392 ( -11.150 0.000 -9.427) 14.601 13.938 ( 5.765 0.000 3.387) 6.687 14.038 ( 7.905 0.000 -6.111) 9.991 14.509 ( -2.288 0.000 2.517) 3.401 14.552 ( -1.417 0.000 -1.757) 2.257 14.828 ( -5.226 0.000 4.234) 6.726 14.904 ( -5.316 0.000 -3.125) 6.166 15.313 ( -3.001 0.000 5.265) 6.060 15.398 ( 0.576 0.000 -2.774) 2.833 15.711 ( -11.718 0.000 8.197) 14.301 15.924 ( -11.167 0.000 -12.071) 16.444 16.425 ( 5.439 0.000 0.978) 5.526 16.459 ( 5.534 0.000 -2.177) 5.947 17.093 ( -4.642 0.000 8.245) 9.462 17.240 ( -2.656 0.000 -6.011) 6.572 17.367 ( 7.531 0.000 1.748) 7.731 17.435 ( 7.241 0.000 -4.889) 8.737 17.936 ( 0.992 0.000 4.389) 4.500 18.004 ( 1.075 0.000 -1.728) 2.035 18.219 ( 3.336 0.000 10.381) 10.904 18.420 ( 3.013 0.000 -8.539) 9.055 18.791 ( 3.941 0.000 0.794) 4.020 18.822 ( 4.813 0.000 -1.868) 5.163 19.121 ( -0.875 0.000 1.820) 2.019 19.167 ( -0.536 0.000 -2.553) 2.609 19.438 ( 0.578 0.000 5.673) 5.703 19.598 ( 2.863 0.000 -8.874) 9.324 19.693 ( -0.838 0.000 0.661) 1.067 19.721 ( -0.309 0.000 -3.892) 3.904 20.434 ( 5.301 0.000 2.280) 5.771 20.483 ( 3.195 0.000 -2.416) 4.006 20.895 ( 0.842 0.000 6.755) 6.807 21.037 ( -3.400 0.000 -6.225) 7.093 21.139 ( -1.005 0.000 4.670) 4.777 21.251 ( -0.168 0.000 -6.418) 6.420 21.999 ( -1.905 0.000 2.864) 3.439 22.046 ( -0.660 0.000 -1.694) 1.818 22.430 ( -6.064 0.000 7.274) 9.470 22.562 ( -5.945 0.000 -5.945) 8.408 ======================= Grid point 157 (52/72) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 15.353 0.000 10.675) 18.699 1.952 ( 15.949 0.000 9.213) 18.419 2.163 ( 7.072 0.000 -8.936) 11.396 2.204 ( 8.435 0.000 -7.892) 11.551 2.553 ( -5.299 0.000 4.161) 6.738 2.640 ( -9.668 0.000 -3.004) 10.124 2.777 ( -1.711 0.000 1.915) 2.568 2.836 ( -1.923 0.000 -2.417) 3.088 2.914 ( -1.246 0.000 0.474) 1.333 2.937 ( 3.099 0.000 -1.179) 3.316 3.023 ( -4.099 0.000 1.666) 4.425 3.050 ( -3.651 0.000 -2.180) 4.253 3.215 ( -3.320 0.000 2.766) 4.321 3.272 ( -1.280 0.000 -1.173) 1.736 3.336 ( -5.429 0.000 3.064) 6.234 3.407 ( -5.136 0.000 -2.799) 5.849 3.619 ( 9.549 0.000 7.227) 11.975 3.706 ( 1.150 0.000 -0.560) 1.279 3.802 ( 1.061 0.000 0.744) 1.296 3.856 ( 1.216 0.000 -2.356) 2.652 3.953 ( 8.537 0.000 4.476) 9.640 4.173 ( 15.469 0.000 -13.671) 20.644 4.482 ( -1.673 0.000 2.046) 2.643 4.541 ( -6.544 0.000 -2.412) 6.975 4.814 ( -2.173 0.000 3.651) 4.249 4.888 ( -2.338 0.000 -2.347) 3.313 5.135 ( 5.056 0.000 0.780) 5.116 5.174 ( 4.375 0.000 -2.726) 5.155 5.296 ( 2.788 0.000 5.127) 5.836 5.398 ( 1.154 0.000 -3.766) 3.939 5.587 ( -1.011 0.000 4.626) 4.735 5.654 ( -0.314 0.000 -2.007) 2.031 5.912 ( -1.218 0.000 3.416) 3.627 5.974 ( 0.544 0.000 -2.332) 2.395 6.246 ( -2.724 0.000 2.857) 3.947 6.303 ( -0.798 0.000 -1.899) 2.060 6.359 ( 2.924 0.000 0.701) 3.007 6.375 ( -1.263 0.000 -0.413) 1.329 6.438 ( -0.920 0.000 -0.914) 1.297 6.442 ( 1.646 0.000 -0.720) 1.797 7.442 ( 2.309 0.000 1.935) 3.013 7.486 ( 1.510 0.000 -2.257) 2.716 7.787 ( -1.313 0.000 2.799) 3.092 7.817 ( -1.718 0.000 -0.451) 1.776 8.045 ( -0.312 0.000 2.502) 2.522 8.066 ( -1.499 0.000 0.863) 1.730 8.296 ( -8.073 0.000 0.040) 8.073 8.328 ( -9.391 0.000 -2.917) 9.834 8.491 ( 1.247 0.000 5.883) 6.014 8.605 ( 0.464 0.000 -4.862) 4.884 9.117 ( -2.723 0.000 0.192) 2.730 9.133 ( -3.544 0.000 -1.024) 3.689 9.592 ( -1.332 0.000 1.922) 2.339 9.621 ( -1.298 0.000 -0.467) 1.379 9.676 ( -2.810 0.000 -0.273) 2.823 9.708 ( -0.393 0.000 -3.260) 3.283 10.376 ( 5.577 0.000 3.698) 6.692 10.411 ( 5.911 0.000 0.457) 5.929 10.534 ( 6.322 0.000 -1.238) 6.442 10.583 ( 5.268 0.000 -5.139) 7.360 11.232 ( 8.320 0.000 1.548) 8.463 11.247 ( 8.810 0.000 0.318) 8.815 11.707 ( 4.682 0.000 0.357) 4.695 11.753 ( 3.614 0.000 -3.739) 5.200 12.616 ( 0.223 0.000 4.150) 4.156 12.680 ( -1.504 0.000 -2.020) 2.518 12.791 ( -5.425 0.000 10.986) 12.252 12.919 ( 0.262 0.000 -1.474) 1.497 13.177 ( 2.178 0.000 -0.970) 2.384 13.214 ( -5.380 0.000 -4.297) 6.886 14.064 ( 6.820 0.000 5.415) 8.709 14.173 ( 5.607 0.000 -4.724) 7.331 14.487 ( 0.195 0.000 1.818) 1.828 14.525 ( -1.110 0.000 -1.614) 1.959 14.739 ( -4.272 0.000 3.862) 5.759 14.816 ( -4.197 0.000 -3.360) 5.377 15.230 ( -4.704 0.000 7.275) 8.663 15.351 ( -5.334 0.000 -3.751) 6.521 15.529 ( -6.303 0.000 5.724) 8.515 15.708 ( -10.349 0.000 -11.531) 15.495 16.545 ( 6.296 0.000 1.518) 6.477 16.583 ( 6.686 0.000 -2.048) 6.993 17.004 ( -4.042 0.000 8.587) 9.491 17.169 ( -4.391 0.000 -7.445) 8.644 17.507 ( 6.607 0.000 0.892) 6.667 17.567 ( 6.164 0.000 -4.626) 7.707 17.984 ( 3.810 0.000 4.505) 5.900 18.044 ( 3.087 0.000 -0.976) 3.237 18.277 ( 2.037 0.000 9.187) 9.411 18.426 ( -2.288 0.000 -5.243) 5.720 18.860 ( 3.320 0.000 1.711) 3.735 18.923 ( 5.016 0.000 -3.447) 6.087 19.107 ( -0.109 0.000 2.614) 2.616 19.165 ( 0.528 0.000 -2.783) 2.832 19.383 ( -5.462 0.000 6.979) 8.862 19.569 ( -6.189 0.000 -10.375) 12.081 19.699 ( 1.220 0.000 0.022) 1.221 19.704 ( 0.778 0.000 -1.410) 1.611 20.534 ( 3.835 0.000 2.134) 4.389 20.579 ( 5.355 0.000 -2.440) 5.884 20.901 ( 0.028 0.000 3.027) 3.027 20.963 ( -3.299 0.000 -2.730) 4.282 21.130 ( -0.206 0.000 4.094) 4.100 21.236 ( -1.369 0.000 -6.297) 6.444 21.967 ( -1.070 0.000 4.199) 4.333 22.030 ( -0.977 0.000 -2.003) 2.229 22.340 ( -3.380 0.000 5.493) 6.450 22.453 ( -5.134 0.000 -5.480) 7.509 ======================= Grid point 158 (53/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 5.206 0.000 6.914) 8.655 2.165 ( -2.404 0.000 2.174) 3.241 2.240 ( 9.739 0.000 3.837) 10.468 2.358 ( 6.606 0.000 -7.844) 10.255 2.476 ( 0.066 0.000 -1.194) 1.196 2.545 ( 1.054 0.000 -6.890) 6.970 2.766 ( -2.926 0.000 5.265) 6.023 2.828 ( 2.205 0.000 2.795) 3.560 2.859 ( -2.390 0.000 0.901) 2.555 2.888 ( -7.070 0.000 -2.696) 7.567 2.957 ( -2.451 0.000 1.596) 2.925 3.021 ( 1.622 0.000 -4.015) 4.330 3.122 ( -4.866 0.000 2.717) 5.573 3.199 ( -5.362 0.000 -0.641) 5.400 3.232 ( -4.201 0.000 -1.512) 4.465 3.313 ( -4.237 0.000 -5.254) 6.750 3.650 ( -1.116 0.000 4.275) 4.418 3.714 ( -1.826 0.000 1.823) 2.580 3.810 ( 0.406 0.000 -2.813) 2.842 3.877 ( -0.380 0.000 -5.046) 5.061 4.303 ( 18.328 0.000 8.243) 20.097 4.403 ( 4.888 0.000 0.608) 4.926 4.491 ( 4.687 0.000 1.358) 4.880 4.571 ( 8.537 0.000 -6.820) 10.927 4.762 ( -2.009 0.000 4.678) 5.091 4.842 ( -1.215 0.000 -2.046) 2.380 5.246 ( 5.608 0.000 0.091) 5.609 5.266 ( 4.217 0.000 -0.898) 4.312 5.328 ( 0.495 0.000 3.504) 3.539 5.374 ( -3.834 0.000 0.790) 3.915 5.573 ( -0.101 0.000 1.205) 1.209 5.632 ( -1.715 0.000 -3.292) 3.711 5.837 ( -5.470 0.000 3.667) 6.585 5.916 ( -6.986 0.000 -3.308) 7.729 6.190 ( -1.090 0.000 1.183) 1.608 6.215 ( -2.971 0.000 -1.084) 3.162 6.366 ( 0.790 0.000 0.056) 0.792 6.381 ( 0.347 0.000 -1.633) 1.670 6.513 ( 3.847 0.000 0.692) 3.908 6.524 ( 3.440 0.000 -0.448) 3.469 7.480 ( 1.433 0.000 1.578) 2.132 7.503 ( 0.149 0.000 -0.531) 0.552 7.786 ( 1.006 0.000 2.104) 2.332 7.800 ( -0.025 0.000 0.772) 0.773 8.033 ( -0.895 0.000 1.351) 1.620 8.039 ( -0.914 0.000 1.205) 1.513 8.152 ( -6.165 0.000 -0.776) 6.214 8.175 ( -6.092 0.000 -2.322) 6.519 8.523 ( 2.026 0.000 4.104) 4.577 8.598 ( -1.138 0.000 -2.884) 3.101 9.075 ( -1.493 0.000 0.007) 1.493 9.083 ( -1.781 0.000 -0.660) 1.899 9.563 ( -1.065 0.000 1.441) 1.792 9.595 ( -1.905 0.000 -1.297) 2.305 9.650 ( 0.471 0.000 0.419) 0.631 9.697 ( -0.886 0.000 -3.643) 3.749 10.468 ( 3.766 0.000 3.259) 4.980 10.497 ( 2.791 0.000 0.966) 2.954 10.629 ( 3.553 0.000 -2.006) 4.080 10.656 ( 2.265 0.000 -3.981) 4.580 11.356 ( 4.491 0.000 2.346) 5.067 11.372 ( 4.045 0.000 1.030) 4.174 11.776 ( 2.423 0.000 -1.006) 2.624 11.800 ( 1.266 0.000 -3.148) 3.393 12.627 ( 0.680 0.000 3.400) 3.468 12.668 ( 0.060 0.000 0.432) 0.436 12.717 ( -1.635 0.000 6.853) 7.045 12.863 ( -5.414 0.000 -5.807) 7.939 13.198 ( 3.308 0.000 1.494) 3.629 13.241 ( 2.642 0.000 -2.617) 3.719 14.183 ( 5.114 0.000 4.368) 6.725 14.245 ( 1.933 0.000 -1.222) 2.287 14.515 ( 1.125 0.000 0.471) 1.219 14.519 ( 2.243 0.000 0.053) 2.244 14.654 ( -4.509 0.000 3.493) 5.703 14.727 ( -5.310 0.000 -3.060) 6.129 15.167 ( -1.287 0.000 5.353) 5.506 15.241 ( -4.744 0.000 -0.758) 4.804 15.453 ( -2.165 0.000 0.022) 2.165 15.540 ( -6.820 0.000 -8.786) 11.122 16.653 ( 4.694 0.000 2.610) 5.371 16.693 ( 4.071 0.000 -0.667) 4.126 16.952 ( -0.910 0.000 5.122) 5.203 17.076 ( -5.106 0.000 -6.378) 8.170 17.617 ( 4.677 0.000 -0.024) 4.677 17.660 ( 3.164 0.000 -3.932) 5.047 18.072 ( 4.912 0.000 3.758) 6.184 18.115 ( 3.770 0.000 -0.328) 3.784 18.283 ( -1.250 0.000 5.123) 5.274 18.351 ( -4.730 0.000 -1.976) 5.126 18.925 ( 3.364 0.000 3.370) 4.761 18.989 ( 1.349 0.000 -1.631) 2.117 19.125 ( 2.073 0.000 2.495) 3.243 19.193 ( 2.570 0.000 -3.674) 4.484 19.275 ( -4.921 0.000 4.685) 6.794 19.413 ( -8.614 0.000 -7.988) 11.748 19.727 ( 1.547 0.000 0.318) 1.579 19.735 ( 1.387 0.000 -0.399) 1.443 20.583 ( 1.722 0.000 0.939) 1.961 20.638 ( 0.398 0.000 -4.030) 4.049 20.904 ( 0.559 0.000 2.170) 2.241 20.932 ( -0.296 0.000 -0.789) 0.843 21.132 ( 0.556 0.000 2.541) 2.602 21.200 ( -2.286 0.000 -4.077) 4.674 21.964 ( 0.679 0.000 3.471) 3.537 22.009 ( -1.159 0.000 -0.842) 1.432 22.299 ( -0.882 0.000 2.750) 2.888 22.366 ( -3.876 0.000 -3.628) 5.309 ======================= Grid point 159 (54/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -0.972 0.000 3.650) 3.777 2.109 ( 0.972 0.000 3.650) 3.777 2.379 ( -4.144 0.000 -3.405) 5.363 2.379 ( 4.144 0.000 -3.405) 5.363 2.598 ( -10.291 0.000 2.060) 10.495 2.598 ( 10.291 0.000 2.060) 10.495 2.688 ( -10.798 0.000 -5.319) 12.037 2.688 ( 10.798 0.000 -5.319) 12.037 2.889 ( -1.497 0.000 5.366) 5.571 2.889 ( 1.497 0.000 5.366) 5.571 2.974 ( -5.120 0.000 1.857) 5.446 2.974 ( 5.120 0.000 1.857) 5.446 3.107 ( -2.957 0.000 -0.792) 3.061 3.107 ( 2.957 0.000 -0.792) 3.061 3.228 ( -3.680 0.000 -5.667) 6.757 3.228 ( 3.680 0.000 -5.667) 6.757 3.663 ( -2.371 0.000 4.806) 5.359 3.663 ( 2.371 0.000 4.806) 5.359 3.840 ( -2.461 0.000 -7.267) 7.672 3.840 ( 2.461 0.000 -7.267) 7.672 4.446 ( -0.845 0.000 3.364) 3.469 4.446 ( 0.845 0.000 3.364) 3.469 4.624 ( -2.564 0.000 -1.246) 2.850 4.624 ( 2.564 0.000 -1.246) 2.850 4.817 ( -5.416 0.000 4.204) 6.857 4.817 ( 5.416 0.000 4.204) 6.857 5.293 ( -1.255 0.000 2.038) 2.393 5.293 ( 1.255 0.000 2.038) 2.393 5.333 ( -1.320 0.000 0.543) 1.427 5.333 ( 1.320 0.000 0.543) 1.427 5.593 ( -2.112 0.000 -3.257) 3.882 5.593 ( 2.112 0.000 -3.257) 3.882 5.793 ( -2.814 0.000 -0.472) 2.853 5.793 ( 2.814 0.000 -0.472) 2.853 6.192 ( -0.516 0.000 0.301) 0.597 6.192 ( 0.516 0.000 0.301) 0.597 6.380 ( -0.458 0.000 -0.869) 0.982 6.380 ( 0.458 0.000 -0.869) 0.982 6.553 ( -0.327 0.000 0.198) 0.383 6.553 ( 0.327 0.000 0.198) 0.383 7.497 ( -0.565 0.000 0.874) 1.041 7.497 ( 0.565 0.000 0.874) 1.041 7.803 ( -0.220 0.000 1.942) 1.954 7.803 ( 0.220 0.000 1.942) 1.954 8.026 ( -0.551 0.000 -0.212) 0.590 8.026 ( 0.551 0.000 -0.212) 0.590 8.100 ( -1.281 0.000 -0.733) 1.476 8.100 ( 1.281 0.000 -0.733) 1.476 8.565 ( -2.119 0.000 0.667) 2.221 8.565 ( 2.119 0.000 0.667) 2.221 9.062 ( -0.246 0.000 -0.296) 0.385 9.062 ( 0.246 0.000 -0.296) 0.385 9.563 ( -1.012 0.000 0.564) 1.159 9.563 ( 1.012 0.000 0.564) 1.159 9.673 ( -1.441 0.000 -2.336) 2.745 9.673 ( 1.441 0.000 -2.336) 2.745 10.515 ( -0.882 0.000 2.268) 2.434 10.515 ( 0.882 0.000 2.268) 2.434 10.671 ( -0.744 0.000 -3.068) 3.156 10.671 ( 0.744 0.000 -3.068) 3.156 11.405 ( -0.505 0.000 2.050) 2.112 11.405 ( 0.505 0.000 2.050) 2.112 11.805 ( -0.660 0.000 -2.268) 2.362 11.805 ( 0.660 0.000 -2.268) 2.362 12.646 ( -1.492 0.000 4.796) 5.023 12.646 ( 1.492 0.000 4.796) 5.023 12.758 ( -4.673 0.000 -2.907) 5.503 12.758 ( 4.673 0.000 -2.907) 5.503 13.256 ( -1.498 0.000 -0.436) 1.560 13.256 ( 1.498 0.000 -0.436) 1.560 14.249 ( -1.572 0.000 1.742) 2.346 14.249 ( 1.572 0.000 1.742) 2.346 14.549 ( -2.288 0.000 2.574) 3.444 14.549 ( 2.288 0.000 2.574) 3.444 14.623 ( -4.189 0.000 -1.715) 4.527 14.623 ( 4.189 0.000 -1.715) 4.527 15.178 ( -2.037 0.000 2.444) 3.181 15.178 ( 2.037 0.000 2.444) 3.181 15.451 ( -2.274 0.000 -4.977) 5.472 15.451 ( 2.274 0.000 -4.977) 5.472 16.717 ( -1.544 0.000 2.715) 3.124 16.717 ( 1.544 0.000 2.715) 3.124 16.984 ( -3.933 0.000 -2.309) 4.561 16.984 ( 3.933 0.000 -2.309) 4.561 17.678 ( -1.341 0.000 -1.944) 2.361 17.678 ( 1.341 0.000 -1.944) 2.361 18.148 ( -1.758 0.000 1.676) 2.429 18.148 ( 1.758 0.000 1.676) 2.429 18.274 ( -2.159 0.000 1.236) 2.488 18.274 ( 2.159 0.000 1.236) 2.488 18.979 ( -1.950 0.000 2.046) 2.826 18.979 ( 1.950 0.000 2.046) 2.826 19.190 ( -4.187 0.000 1.920) 4.607 19.190 ( 4.187 0.000 1.920) 4.607 19.270 ( -5.594 0.000 -4.676) 7.291 19.270 ( 5.594 0.000 -4.676) 7.291 19.746 ( -0.242 0.000 0.149) 0.284 19.746 ( 0.242 0.000 0.149) 0.284 20.616 ( -1.833 0.000 -2.389) 3.012 20.616 ( 1.833 0.000 -2.389) 3.012 20.923 ( -0.957 0.000 1.203) 1.537 20.923 ( 0.957 0.000 1.203) 1.537 21.156 ( -1.966 0.000 -0.708) 2.090 21.156 ( 1.966 0.000 -0.708) 2.090 21.985 ( -1.287 0.000 1.395) 1.898 21.985 ( 1.287 0.000 1.395) 1.898 22.309 ( -1.890 0.000 -0.651) 1.999 22.309 ( 1.890 0.000 -0.651) 1.999 ======================= Grid point 165 (55/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 13.763 21.797) 25.778 1.352 ( 0.000 12.888 24.778) 27.930 1.702 ( 0.000 9.326 -20.216) 22.264 1.843 ( 0.000 9.799 -19.453) 21.782 2.343 ( 0.000 10.204 34.195) 35.685 2.581 ( 0.000 -6.459 16.528) 17.745 2.599 ( 0.000 -7.679 5.882) 9.673 2.707 ( 0.000 -6.432 -2.514) 6.906 2.816 ( 0.000 -3.603 -8.650) 9.370 2.995 ( 0.000 1.072 1.545) 1.880 3.034 ( 0.000 -2.076 -0.905) 2.265 3.141 ( 0.000 0.419 2.637) 2.670 3.253 ( 0.000 3.108 -11.105) 11.531 3.285 ( 0.000 8.948 -20.625) 22.482 3.465 ( 0.000 1.815 2.570) 3.146 3.498 ( 0.000 -1.832 0.903) 2.043 3.558 ( 0.000 -0.936 1.598) 1.852 3.647 ( 0.000 -0.125 -5.546) 5.547 3.854 ( 0.000 -3.649 0.581) 3.695 3.926 ( 0.000 -0.442 -5.809) 5.826 4.034 ( 0.000 -2.670 6.572) 7.094 4.154 ( 0.000 -3.013 -4.440) 5.365 4.509 ( 0.000 -11.199 3.387) 11.700 4.640 ( 0.000 -11.099 -8.113) 13.748 4.923 ( 0.000 2.911 6.099) 6.759 4.970 ( 0.000 7.313 -0.022) 7.313 5.100 ( 0.000 1.343 -1.635) 2.116 5.183 ( 0.000 4.393 -5.393) 6.956 5.275 ( 0.000 8.153 5.921) 10.076 5.398 ( 0.000 8.488 -5.207) 9.957 5.596 ( 0.000 -1.914 0.968) 2.145 5.615 ( 0.000 3.195 -0.508) 3.235 5.718 ( 0.000 -0.797 4.188) 4.263 5.805 ( 0.000 -0.661 -3.653) 3.712 5.979 ( 0.000 -3.257 2.918) 4.373 6.023 ( 0.000 -0.548 -1.398) 1.501 6.260 ( 0.000 0.708 2.416) 2.517 6.308 ( 0.000 1.517 -1.823) 2.372 6.665 ( 0.000 -4.808 4.695) 6.720 6.727 ( 0.000 -5.282 -1.322) 5.445 7.415 ( 0.000 3.613 1.665) 3.978 7.458 ( 0.000 3.075 -2.494) 3.959 7.892 ( 0.000 -0.123 0.649) 0.661 7.902 ( 0.000 0.667 -0.557) 0.869 8.077 ( 0.000 -2.700 1.392) 3.037 8.110 ( 0.000 -4.009 -1.307) 4.216 8.378 ( 0.000 -1.878 4.319) 4.709 8.439 ( 0.000 -2.138 -1.439) 2.577 8.750 ( 0.000 -1.673 4.153) 4.478 8.867 ( 0.000 2.931 -6.696) 7.309 9.146 ( 0.000 -5.125 2.046) 5.518 9.187 ( 0.000 -3.483 -1.910) 3.972 9.658 ( 0.000 -0.534 3.308) 3.351 9.714 ( 0.000 -0.940 -0.602) 1.116 9.728 ( 0.000 0.155 1.987) 1.993 9.786 ( 0.000 0.119 -2.029) 2.032 10.093 ( 0.000 -0.864 1.679) 1.888 10.157 ( 0.000 -0.882 -3.954) 4.051 10.230 ( 0.000 2.255 0.680) 2.355 10.269 ( 0.000 1.679 -2.689) 3.170 10.799 ( 0.000 7.660 2.036) 7.926 10.849 ( 0.000 6.338 -2.515) 6.819 11.403 ( 0.000 -4.678 3.989) 6.148 11.496 ( 0.000 -5.756 -4.861) 7.534 12.603 ( 0.000 -3.455 7.963) 8.681 12.728 ( 0.000 -4.252 -3.718) 5.648 12.838 ( 0.000 -1.200 3.686) 3.876 12.902 ( 0.000 -0.870 -2.543) 2.687 13.483 ( 0.000 -6.519 9.609) 11.611 13.587 ( 0.000 -2.596 -0.842) 2.730 13.836 ( 0.000 3.002 -3.190) 4.380 13.891 ( 0.000 1.866 -7.189) 7.427 14.619 ( 0.000 4.696 4.561) 6.547 14.721 ( 0.000 9.995 -5.783) 11.548 15.071 ( 0.000 -3.812 7.717) 8.607 15.151 ( 0.000 -0.937 -1.749) 1.984 15.174 ( 0.000 2.391 3.361) 4.124 15.282 ( 0.000 -0.305 -5.044) 5.054 16.007 ( 0.000 0.019 3.084) 3.084 16.077 ( 0.000 -1.358 -3.714) 3.954 16.392 ( 0.000 -0.513 1.507) 1.592 16.461 ( 0.000 1.434 -4.872) 5.079 17.014 ( 0.000 -9.369 2.507) 9.699 17.040 ( 0.000 -7.173 -0.154) 7.175 17.296 ( 0.000 3.599 3.056) 4.721 17.346 ( 0.000 1.502 -1.474) 2.105 17.836 ( 0.000 -7.727 1.829) 7.940 17.871 ( 0.000 -8.185 -1.837) 8.389 18.262 ( 0.000 4.361 6.119) 7.514 18.381 ( 0.000 3.834 -5.567) 6.760 18.689 ( 0.000 1.099 2.612) 2.834 18.741 ( 0.000 2.932 -2.196) 3.664 19.199 ( 0.000 1.631 0.693) 1.772 19.245 ( 0.000 6.522 -3.852) 7.575 19.302 ( 0.000 1.915 0.477) 1.974 19.311 ( 0.000 1.147 -0.360) 1.202 19.747 ( 0.000 5.781 1.301) 5.925 19.799 ( 0.000 12.051 -4.519) 12.871 20.403 ( 0.000 -2.047 4.769) 5.189 20.484 ( 0.000 -0.154 -2.949) 2.953 20.890 ( 0.000 4.594 9.188) 10.272 21.082 ( 0.000 1.657 -7.088) 7.279 21.203 ( 0.000 -1.041 -1.492) 1.819 21.230 ( 0.000 0.163 -3.289) 3.293 22.015 ( 0.000 -1.573 1.683) 2.303 22.044 ( 0.000 -1.819 -0.938) 2.046 22.613 ( 0.000 -4.791 2.876) 5.589 22.657 ( 0.000 -3.485 -1.563) 3.819 ======================= Grid point 166 (56/72) ======================= q-point: ( 0.10 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 9.398 10.550 20.322) 24.751 1.481 ( 10.967 10.841 19.818) 25.111 1.790 ( 8.222 7.156 -17.889) 20.949 1.934 ( 8.304 8.539 -17.702) 21.336 2.455 ( 9.528 3.255 24.560) 26.544 2.598 ( 2.756 -5.747 13.768) 15.172 2.655 ( 5.259 -5.980 9.404) 12.323 2.735 ( 3.174 -4.323 0.994) 5.454 2.824 ( 0.944 -2.805 -7.784) 8.328 2.977 ( -2.182 1.100 1.916) 3.105 3.009 ( -2.551 -0.947 -1.538) 3.125 3.125 ( -1.068 1.395 0.612) 1.861 3.246 ( -0.909 1.209 -5.050) 5.272 3.310 ( 1.944 5.469 -15.410) 16.467 3.455 ( -1.265 0.827 2.932) 3.298 3.492 ( -0.732 0.102 -1.355) 1.543 3.562 ( 1.709 1.168 -1.843) 2.772 3.625 ( -1.715 1.041 -5.756) 6.095 3.827 ( -2.784 -2.671 0.686) 3.919 3.905 ( -2.850 -0.577 -6.457) 7.082 4.003 ( -2.718 -1.335 5.245) 6.056 4.112 ( -3.402 -1.857 -4.962) 6.296 4.518 ( 0.721 -9.639 3.958) 10.445 4.648 ( 1.064 -10.425 -7.731) 13.022 4.856 ( -4.329 2.724 6.711) 8.438 4.986 ( -2.748 5.415 -5.963) 8.511 5.071 ( -0.486 1.662 4.139) 4.487 5.175 ( -0.244 3.695 -4.127) 5.544 5.301 ( 1.811 8.977 4.642) 10.268 5.391 ( 0.508 7.252 -3.088) 7.898 5.596 ( 0.979 0.206 1.752) 2.017 5.640 ( 0.687 1.933 -2.278) 3.066 5.787 ( 5.790 -1.041 2.892) 6.555 5.853 ( 4.293 -0.595 -2.704) 5.108 6.027 ( 4.833 -3.440 2.087) 6.289 6.062 ( 3.897 -1.135 -1.304) 4.264 6.273 ( 1.037 0.462 2.531) 2.774 6.321 ( 1.206 0.811 -1.853) 2.355 6.616 ( -4.922 -4.604 4.325) 8.008 6.677 ( -5.028 -5.984 -1.504) 7.960 7.413 ( 0.083 3.239 2.144) 3.885 7.466 ( 0.759 3.101 -2.907) 4.318 7.875 ( -1.805 -0.513 1.153) 2.202 7.891 ( -1.034 0.719 -0.828) 1.507 8.060 ( -1.228 -1.434 2.129) 2.845 8.098 ( -0.887 -2.302 -1.108) 2.704 8.381 ( 0.342 -3.235 5.110) 6.057 8.467 ( 1.985 -3.301 -3.021) 4.895 8.655 ( -7.729 0.271 4.180) 8.791 8.767 ( -8.044 3.595 -6.071) 10.700 9.147 ( -1.444 -6.578 2.952) 7.353 9.204 ( -0.551 -5.608 -2.560) 6.189 9.624 ( -0.814 0.266 3.956) 4.047 9.694 ( -0.457 1.901 -1.740) 2.618 9.747 ( -0.642 -0.047 0.624) 0.896 9.790 ( 0.081 0.867 -2.357) 2.513 10.142 ( 4.553 -1.421 1.778) 5.090 10.194 ( 3.570 -0.494 -2.074) 4.158 10.272 ( 4.846 2.287 0.455) 5.377 10.329 ( 5.318 0.767 -4.011) 6.705 10.890 ( 8.632 6.747 1.621) 11.075 10.928 ( 7.502 5.776 -1.838) 9.645 11.458 ( 5.224 -3.922 3.019) 7.196 11.538 ( 4.110 -5.014 -4.546) 7.918 12.600 ( -0.277 -3.101 7.417) 8.044 12.710 ( -1.542 -3.985 -2.474) 4.937 12.850 ( 0.934 -1.209 3.385) 3.714 12.912 ( 0.520 -1.700 -2.223) 2.847 13.384 ( -7.955 1.810 12.833) 15.207 13.586 ( -3.321 -0.641 -5.699) 6.627 13.830 ( 0.298 -1.014 -1.769) 2.061 13.886 ( 1.570 -1.428 -5.919) 6.288 14.600 ( -2.022 4.080 3.603) 5.807 14.666 ( -4.452 7.705 -2.739) 9.311 14.940 ( -6.632 -0.983 5.522) 8.686 15.027 ( -7.471 -0.401 -2.931) 8.036 15.316 ( 4.765 -0.212 1.756) 5.082 15.343 ( 4.003 0.627 -0.892) 4.149 15.931 ( -8.157 0.555 4.921) 9.542 16.055 ( -3.800 -2.146 -6.908) 8.171 16.374 ( 0.351 0.564 1.436) 1.582 16.429 ( -1.094 2.154 -3.670) 4.394 17.043 ( 1.409 -8.760 3.678) 9.605 17.091 ( 3.602 -9.205 -0.994) 9.934 17.341 ( 3.634 4.082 0.961) 5.549 17.377 ( 3.861 3.809 -1.858) 5.733 17.856 ( 2.028 -6.355 2.531) 7.135 17.906 ( 3.034 -6.923 -2.340) 7.912 18.237 ( -1.252 4.664 7.032) 8.531 18.385 ( 0.774 2.655 -7.070) 7.592 18.725 ( 2.997 0.131 2.438) 3.866 18.770 ( 2.555 2.367 -1.882) 3.959 19.157 ( -2.651 1.789 1.154) 3.400 19.187 ( -1.822 1.514 -1.773) 2.959 19.354 ( 2.741 -1.354 2.035) 3.673 19.413 ( 4.890 -2.793 -3.727) 6.753 19.774 ( 2.444 7.522 2.056) 8.172 19.849 ( 4.356 13.073 -6.153) 15.091 20.389 ( -0.311 -0.810 4.273) 4.360 20.474 ( -0.636 0.142 -3.663) 3.721 20.901 ( 0.865 3.625 8.489) 9.271 21.081 ( -0.507 1.325 -7.310) 7.446 21.174 ( -2.200 -0.404 1.482) 2.683 21.242 ( 0.603 -0.373 -4.783) 4.836 22.010 ( -0.624 -1.542 1.729) 2.399 22.037 ( -0.594 -1.980 -0.696) 2.181 22.541 ( -5.788 -2.417 5.325) 8.228 22.630 ( -3.274 -3.280 -3.820) 6.006 ======================= Grid point 167 (57/72) ======================= q-point: ( 0.20 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 15.675 5.791 14.857) 22.361 1.721 ( 13.395 7.510 13.456) 20.418 1.977 ( 10.305 3.078 -12.132) 16.213 2.106 ( 8.496 6.176 -13.586) 17.173 2.548 ( 0.232 -6.760 11.566) 13.399 2.673 ( 1.339 -10.039 3.195) 10.620 2.752 ( 3.999 -7.062 -1.968) 8.351 2.823 ( 1.706 -3.066 -1.898) 3.989 2.892 ( -4.110 0.941 2.470) 4.886 2.926 ( -0.452 -0.118 -0.428) 0.633 2.973 ( 8.620 6.392 9.087) 14.062 3.106 ( -1.324 1.565 -0.135) 2.055 3.240 ( 1.262 2.843 -0.810) 3.214 3.309 ( -2.080 0.838 -1.239) 2.562 3.398 ( -3.563 -1.249 4.739) 6.059 3.483 ( -0.443 1.478 -0.182) 1.554 3.577 ( -0.912 2.075 -0.782) 2.397 3.679 ( 5.910 3.662 -8.015) 10.610 3.772 ( -1.472 -1.011 -1.968) 2.657 3.827 ( -3.222 -0.728 -6.346) 7.154 3.948 ( -2.333 -0.082 3.667) 4.347 4.072 ( 1.037 3.126 -9.157) 9.731 4.523 ( -0.634 -4.079 5.510) 6.885 4.649 ( -2.527 -4.516 -5.051) 7.231 4.806 ( -0.059 -1.296 3.331) 3.574 4.896 ( -3.550 0.027 -3.653) 5.094 5.071 ( -0.879 1.609 4.071) 4.464 5.165 ( -0.383 3.201 -4.250) 5.334 5.357 ( 3.792 9.729 3.500) 11.013 5.421 ( 2.132 6.689 -1.793) 7.246 5.607 ( -0.110 0.915 2.713) 2.866 5.651 ( 0.682 1.078 -2.221) 2.561 5.883 ( 3.404 -0.607 2.417) 4.219 5.933 ( 3.248 -0.438 -2.022) 3.851 6.153 ( 7.380 -4.053 0.455) 8.432 6.165 ( 6.270 -3.026 -0.767) 7.004 6.291 ( 1.035 -0.166 3.343) 3.503 6.349 ( 1.650 -0.334 -2.051) 2.654 6.489 ( -7.526 -4.366 3.023) 9.211 6.545 ( -8.106 -5.266 -2.010) 9.873 7.426 ( 1.352 2.661 2.697) 4.023 7.488 ( 1.505 3.115 -3.130) 4.666 7.830 ( -2.510 -0.351 2.397) 3.488 7.862 ( -1.874 0.501 -1.214) 2.288 8.045 ( -0.444 -0.356 2.652) 2.712 8.082 ( -0.934 -0.617 -0.754) 1.350 8.369 ( -2.884 -4.990 4.110) 7.079 8.448 ( -5.432 -5.261 -3.044) 8.152 8.534 ( -3.688 3.247 3.651) 6.122 8.635 ( -3.600 3.747 -5.178) 7.336 9.087 ( -3.802 -8.055 2.670) 9.299 9.144 ( -4.695 -7.048 -2.601) 8.859 9.630 ( 0.573 1.931 3.002) 3.615 9.679 ( -1.283 3.220 -0.560) 3.512 9.739 ( -0.225 1.632 -0.834) 1.846 9.775 ( -1.232 3.081 -3.040) 4.500 10.250 ( 6.308 -0.868 2.974) 7.027 10.293 ( 6.219 0.004 0.063) 6.219 10.391 ( 6.794 -0.004 -0.928) 6.857 10.448 ( 6.431 -1.150 -5.022) 8.241 11.091 ( 11.113 5.578 0.737) 12.456 11.103 ( 9.800 4.927 -0.293) 10.973 11.578 ( 6.557 -2.548 1.384) 7.169 11.636 ( 5.473 -3.476 -3.967) 7.601 12.595 ( -0.099 -2.289 6.159) 6.571 12.679 ( -1.519 -3.344 -0.872) 3.775 12.857 ( -1.193 -1.751 4.388) 4.872 12.905 ( -0.701 -1.311 0.129) 1.492 13.254 ( -3.996 7.495 8.150) 11.771 13.438 ( -9.915 4.546 -8.194) 13.643 13.881 ( 4.787 -5.415 2.937) 7.801 13.973 ( 6.284 -6.241 -5.667) 10.514 14.546 ( -2.720 3.389 3.168) 5.377 14.599 ( -2.532 4.094 -1.945) 5.192 14.835 ( -4.760 0.710 3.472) 5.934 14.904 ( -5.152 -0.081 -3.138) 6.033 15.325 ( -2.375 1.270 5.305) 5.950 15.400 ( 0.746 0.146 -1.464) 1.649 15.725 ( -11.707 1.347 5.794) 13.132 15.903 ( -10.784 -2.116 -10.928) 15.498 16.436 ( 5.432 1.252 1.197) 5.702 16.472 ( 5.104 1.394 -2.139) 5.707 17.031 ( -2.329 -5.574 6.903) 9.173 17.141 ( 1.026 -7.904 -3.754) 8.810 17.430 ( 5.612 4.158 0.438) 6.998 17.474 ( 5.404 3.754 -3.826) 7.611 17.909 ( 3.304 -3.423 3.471) 5.889 17.962 ( 2.644 -3.804 -1.199) 4.785 18.244 ( 1.738 3.123 7.913) 8.683 18.414 ( 1.564 -0.298 -7.958) 8.116 18.789 ( 3.625 -1.197 1.661) 4.163 18.823 ( 2.845 0.033 -1.583) 3.256 19.125 ( -1.009 0.467 1.497) 1.865 19.160 ( -1.151 -0.131 -1.660) 2.024 19.379 ( -0.293 -4.321 3.088) 5.319 19.454 ( -0.086 -7.995 -3.913) 8.901 19.807 ( 0.371 9.673 3.084) 10.159 19.907 ( 0.588 12.239 -7.250) 14.237 20.426 ( 3.933 -1.285 3.065) 5.149 20.493 ( 3.117 0.547 -3.583) 4.780 20.912 ( 0.087 1.983 6.064) 6.380 21.043 ( -3.479 0.920 -5.740) 6.775 21.142 ( -0.864 0.057 3.853) 3.949 21.244 ( -0.543 -0.926 -6.090) 6.184 21.988 ( -1.391 -1.035 2.876) 3.358 22.028 ( -0.247 -1.691 -0.928) 1.944 22.430 ( -5.199 0.061 5.845) 7.823 22.543 ( -5.269 -1.909 -5.256) 7.683 ======================= Grid point 168 (58/72) ======================= q-point: ( 0.30 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 14.999 2.982 9.452) 17.977 1.988 ( 13.925 4.160 8.687) 16.932 2.156 ( 7.266 -0.043 -6.467) 9.727 2.248 ( 5.942 3.709 -8.292) 10.855 2.518 ( -2.615 -3.352 5.406) 6.878 2.618 ( -5.706 -3.216 -3.340) 7.352 2.756 ( -4.290 -3.069 4.834) 7.155 2.805 ( -0.275 -4.071 0.271) 4.090 2.845 ( -2.477 -3.571 -4.335) 6.139 2.899 ( 2.142 -1.406 -4.292) 4.998 3.039 ( -3.528 0.229 1.804) 3.969 3.074 ( -2.211 2.141 -2.273) 3.826 3.234 ( -4.206 0.436 0.275) 4.238 3.258 ( -3.574 -1.250 -1.975) 4.270 3.360 ( -2.701 2.884 5.295) 6.607 3.450 ( -3.569 3.418 -2.803) 5.681 3.641 ( 3.253 0.740 6.143) 6.991 3.720 ( 1.800 0.944 0.797) 2.183 3.768 ( 2.900 -2.077 0.718) 3.639 3.845 ( 1.449 -0.303 -3.793) 4.072 3.978 ( 9.225 2.909 7.153) 12.030 4.221 ( 13.116 4.722 -13.510) 19.413 4.500 ( -0.516 1.399 3.325) 3.644 4.566 ( -4.428 2.073 -2.108) 5.324 4.797 ( -1.308 -0.773 3.423) 3.745 4.897 ( 1.097 -0.787 -5.149) 5.323 5.061 ( 1.320 -3.647 5.064) 6.379 5.166 ( 0.544 -0.464 -4.864) 4.916 5.418 ( 1.699 8.724 2.761) 9.307 5.460 ( 1.526 5.569 -0.514) 5.797 5.595 ( -0.977 1.001 3.691) 3.947 5.661 ( 0.141 1.226 -2.760) 3.023 5.908 ( -0.802 -0.081 3.119) 3.222 5.968 ( 0.054 -0.729 -2.258) 2.373 6.220 ( -1.040 -2.418 1.903) 3.248 6.258 ( 0.920 -4.014 -1.581) 4.411 6.333 ( -0.441 -3.108 1.751) 3.595 6.362 ( -1.125 -1.682 0.228) 2.036 6.410 ( 2.565 -2.867 -0.977) 3.969 6.426 ( 0.582 -1.382 -1.504) 2.124 7.463 ( 2.268 2.403 2.811) 4.338 7.520 ( 1.532 3.212 -2.551) 4.379 7.793 ( -0.965 0.271 2.723) 2.902 7.828 ( -1.452 0.846 -0.848) 1.882 8.033 ( -0.940 -1.220 2.144) 2.639 8.052 ( -2.269 -0.991 0.499) 2.526 8.256 ( -7.333 -3.916 1.034) 8.377 8.304 ( -8.562 -2.762 -3.147) 9.531 8.504 ( 0.444 1.830 5.605) 5.913 8.615 ( -0.222 1.301 -4.841) 5.018 9.025 ( -2.470 -8.235 1.290) 8.694 9.059 ( -3.564 -7.122 -1.895) 8.186 9.635 ( 0.097 3.080 1.373) 3.374 9.653 ( -1.380 4.419 0.345) 4.642 9.723 ( -1.243 3.628 -0.536) 3.873 9.757 ( -0.732 4.556 -3.056) 5.535 10.369 ( 5.701 -0.752 3.810) 6.898 10.412 ( 5.623 -0.329 0.659) 5.671 10.515 ( 5.756 -1.685 -1.904) 6.293 10.559 ( 4.846 -2.362 -4.818) 7.230 11.274 ( 7.708 4.308 1.429) 8.945 11.287 ( 8.367 4.338 0.189) 9.427 11.691 ( 4.854 -1.804 0.126) 5.180 11.731 ( 4.013 -2.322 -3.516) 5.819 12.600 ( 0.735 -1.376 4.572) 4.831 12.656 ( -0.663 -2.123 0.319) 2.246 12.790 ( -4.360 -0.056 7.443) 8.626 12.905 ( -0.611 -1.573 -2.647) 3.140 13.234 ( 0.715 6.076 0.438) 6.134 13.283 ( -4.059 6.524 -3.946) 8.637 13.989 ( 5.695 -7.181 4.941) 10.412 14.085 ( 4.543 -8.319 -4.019) 10.296 14.520 ( 0.128 2.871 2.085) 3.551 14.563 ( -1.095 3.147 -1.772) 3.774 14.753 ( -3.787 1.360 3.040) 5.043 14.819 ( -3.959 0.209 -3.111) 5.039 15.253 ( -4.290 2.271 7.289) 8.757 15.365 ( -4.392 1.201 -2.420) 5.156 15.532 ( -7.279 0.406 4.080) 8.354 15.692 ( -10.155 -1.600 -10.893) 14.978 16.553 ( 6.173 0.871 1.721) 6.467 16.592 ( 6.615 0.951 -1.890) 6.945 16.977 ( -2.808 -2.515 7.937) 8.787 17.125 ( -2.473 -4.343 -6.307) 8.048 17.540 ( 5.367 3.346 -0.240) 6.329 17.576 ( 5.015 1.191 -3.500) 6.231 17.980 ( 3.940 -1.573 3.480) 5.487 18.018 ( 3.202 -3.153 0.180) 4.497 18.284 ( 1.892 2.196 6.770) 7.364 18.415 ( -1.665 -0.621 -5.429) 5.713 18.856 ( 3.064 -1.702 1.404) 3.776 18.891 ( 4.352 -4.006 -1.339) 6.065 19.112 ( -0.226 0.708 1.261) 1.464 19.145 ( -0.360 -0.757 -1.348) 1.587 19.340 ( -3.581 -2.834 2.980) 5.453 19.420 ( -3.436 -8.521 -4.359) 10.169 19.807 ( 0.416 9.696 2.634) 10.056 19.888 ( -1.506 12.068 -5.541) 13.364 20.504 ( 3.209 -3.222 3.132) 5.522 20.568 ( 3.529 -1.552 -3.387) 5.132 20.909 ( -0.108 0.984 3.006) 3.164 20.972 ( -3.097 1.226 -2.704) 4.290 21.130 ( -0.559 -0.183 3.057) 3.113 21.219 ( -1.936 -1.906 -5.563) 6.191 21.972 ( -0.073 0.538 3.966) 4.003 22.026 ( 0.042 -0.310 -1.368) 1.403 22.345 ( -3.676 0.459 4.378) 5.735 22.442 ( -5.019 -1.192 -4.930) 7.135 ======================= Grid point 169 (59/72) ======================= q-point: ( 0.40 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 5.224 2.721 5.906) 8.341 2.185 ( -1.206 2.052 2.074) 3.157 2.240 ( 8.388 -0.013 3.788) 9.204 2.354 ( 5.967 -0.416 -6.865) 9.105 2.488 ( 0.795 1.108 -1.482) 2.013 2.543 ( -0.071 0.021 -5.838) 5.838 2.710 ( -2.525 -5.622 4.680) 7.738 2.769 ( -1.742 -4.727 -0.276) 5.045 2.841 ( 0.519 -0.906 1.516) 1.841 2.894 ( -1.913 0.975 -2.866) 3.581 2.967 ( -2.809 0.556 2.914) 4.085 3.044 ( -1.236 1.312 -3.739) 4.151 3.145 ( -3.927 0.289 -0.113) 3.940 3.180 ( -2.399 0.325 -2.562) 3.525 3.278 ( -4.611 5.043 3.601) 7.724 3.378 ( -4.119 4.742 -4.825) 7.921 3.632 ( -0.456 -1.823 4.952) 5.297 3.711 ( -1.449 -0.742 0.694) 1.769 3.810 ( -0.590 -0.355 -2.742) 2.827 3.854 ( -0.489 -2.133 -3.756) 4.347 4.295 ( 16.350 0.420 7.886) 18.157 4.428 ( 5.761 2.560 -2.566) 6.806 4.528 ( 3.697 3.137 2.098) 5.283 4.571 ( 5.018 0.616 -3.903) 6.387 4.768 ( -0.624 0.712 5.781) 5.858 4.883 ( -1.533 2.960 -3.146) 4.583 5.130 ( 4.354 -7.680 1.356) 8.932 5.186 ( 0.997 -5.842 -3.209) 6.740 5.417 ( -1.101 5.667 4.049) 7.051 5.462 ( -1.720 5.995 0.625) 6.268 5.576 ( -0.507 0.283 1.394) 1.510 5.650 ( -1.604 1.540 -4.141) 4.700 5.863 ( -2.838 2.893 2.516) 4.770 5.916 ( -4.885 0.512 -2.148) 5.361 6.197 ( -0.068 0.702 1.292) 1.472 6.222 ( -1.453 0.811 -0.965) 1.924 6.324 ( 0.285 -4.644 -0.098) 4.653 6.342 ( -0.680 -3.493 -1.735) 3.959 6.495 ( 3.992 -2.507 0.574) 4.749 6.502 ( 3.507 -1.873 -0.073) 3.976 7.503 ( 1.679 2.639 2.223) 3.837 7.536 ( 0.016 3.370 -0.838) 3.473 7.799 ( 1.402 1.024 2.000) 2.648 7.816 ( 0.289 1.456 0.432) 1.546 8.004 ( -2.208 -3.289 1.281) 4.163 8.007 ( -1.654 -2.658 0.912) 3.260 8.129 ( -5.174 -2.647 -0.333) 5.821 8.153 ( -6.392 -2.140 -2.155) 7.077 8.530 ( 1.953 1.103 3.810) 4.421 8.602 ( -1.168 0.797 -2.980) 3.298 8.992 ( -0.980 -7.520 0.311) 7.590 9.009 ( -1.816 -6.938 -1.222) 7.275 9.629 ( -0.769 5.919 0.846) 6.028 9.636 ( -0.242 4.133 -0.010) 4.140 9.705 ( -0.204 4.784 0.001) 4.789 9.741 ( -1.027 4.232 -3.104) 5.348 10.462 ( 3.815 -0.794 3.805) 5.446 10.494 ( 2.659 -0.617 1.697) 3.214 10.604 ( 3.355 -2.369 -3.042) 5.111 10.628 ( 2.214 -2.731 -4.344) 5.588 11.388 ( 4.109 3.453 2.172) 5.790 11.404 ( 3.652 3.428 0.834) 5.078 11.761 ( 2.400 -1.693 -0.995) 3.101 11.783 ( 1.368 -1.880 -3.003) 3.798 12.620 ( 1.193 -0.535 3.876) 4.091 12.662 ( 1.100 -0.661 1.316) 1.838 12.720 ( -2.282 0.463 4.942) 5.463 12.847 ( -4.952 -1.552 -5.310) 7.424 13.258 ( 3.057 6.093 1.390) 6.957 13.299 ( 2.352 5.780 -2.439) 6.701 14.080 ( 3.489 -9.465 3.818) 10.786 14.135 ( 0.735 -10.068 -1.236) 10.170 14.545 ( 2.081 2.839 1.491) 3.822 14.567 ( 1.965 3.234 -0.295) 3.796 14.682 ( -3.683 2.549 2.296) 5.033 14.740 ( -4.444 1.151 -2.750) 5.352 15.192 ( -1.390 2.549 5.587) 6.297 15.265 ( -4.673 2.275 -0.375) 5.211 15.444 ( -2.431 -0.906 -0.146) 2.599 15.528 ( -6.739 -1.352 -8.409) 10.861 16.661 ( 4.739 0.820 2.797) 5.564 16.703 ( 4.113 0.962 -0.559) 4.261 16.939 ( -0.549 -1.269 4.745) 4.942 17.057 ( -4.340 -2.178 -5.945) 7.676 17.628 ( 3.631 1.622 -0.451) 4.002 17.656 ( 2.890 0.041 -2.994) 4.162 18.053 ( 3.214 -3.321 2.680) 5.343 18.074 ( 2.225 -4.360 0.735) 4.950 18.308 ( 0.818 3.813 3.317) 5.120 18.366 ( -2.750 2.057 -2.148) 4.050 18.918 ( 3.437 -2.596 3.181) 5.355 18.967 ( 2.722 -4.449 -0.305) 5.224 19.118 ( 0.839 0.590 0.462) 1.124 19.145 ( 0.402 -2.842 -1.152) 3.093 19.263 ( -3.692 -0.425 1.275) 3.929 19.328 ( -5.588 -5.311 -4.339) 8.847 19.829 ( 1.555 9.126 1.561) 9.388 19.869 ( -0.535 10.938 -2.371) 11.205 20.543 ( 1.268 -4.318 1.607) 4.778 20.599 ( -0.464 -4.124 -3.624) 5.510 20.915 ( 0.838 1.160 1.545) 2.106 20.941 ( -0.333 1.192 -1.033) 1.612 21.121 ( -0.178 -1.135 1.793) 2.129 21.175 ( -2.499 -2.597 -3.381) 4.942 21.986 ( 1.403 2.232 3.313) 4.234 22.027 ( -0.148 1.760 -0.507) 1.838 22.292 ( -1.532 -0.638 2.244) 2.791 22.353 ( -4.042 -1.341 -3.457) 5.485 ======================= Grid point 170 (60/72) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -0.861 3.210 3.644) 4.932 2.141 ( 0.861 3.210 3.644) 4.932 2.372 ( -4.365 -0.662 -3.461) 5.610 2.372 ( 4.365 -0.662 -3.461) 5.610 2.586 ( -8.017 -1.155 1.115) 8.176 2.586 ( 8.017 -1.155 1.115) 8.176 2.660 ( -8.532 -2.516 -4.189) 9.832 2.660 ( 8.532 -2.516 -4.189) 9.832 2.877 ( -2.159 -0.728 4.181) 4.762 2.877 ( 2.159 -0.728 4.181) 4.762 2.975 ( -4.368 -0.944 -0.884) 4.555 2.975 ( 4.368 -0.944 -0.884) 4.555 3.138 ( -2.879 4.130 2.671) 5.699 3.138 ( 2.879 4.130 2.671) 5.699 3.279 ( -5.103 4.403 -5.314) 8.583 3.279 ( 5.103 4.403 -5.314) 8.583 3.663 ( -3.052 -0.198 5.004) 5.864 3.663 ( 3.052 -0.198 5.004) 5.864 3.821 ( -2.056 -2.229 -6.810) 7.455 3.821 ( 2.056 -2.229 -6.810) 7.455 4.464 ( -2.534 1.818 3.191) 4.462 4.464 ( 2.534 1.818 3.191) 4.462 4.606 ( -1.421 -1.004 -1.259) 2.148 4.606 ( 1.421 -1.004 -1.259) 2.148 4.832 ( -5.309 1.049 4.340) 6.937 4.832 ( 5.309 1.049 4.340) 6.937 5.184 ( -1.156 -7.368 -0.906) 7.513 5.184 ( 1.156 -7.368 -0.906) 7.513 5.416 ( -1.720 5.158 2.691) 6.067 5.416 ( 1.720 5.158 2.691) 6.067 5.598 ( -2.847 0.412 -3.651) 4.648 5.598 ( 2.847 0.412 -3.651) 4.648 5.844 ( -1.437 4.912 -0.082) 5.119 5.844 ( 1.437 4.912 -0.082) 5.119 6.208 ( -0.648 1.792 0.473) 1.964 6.208 ( 0.648 1.792 0.473) 1.964 6.331 ( -0.499 -4.890 -1.163) 5.051 6.331 ( 0.499 -4.890 -1.163) 5.051 6.535 ( -0.159 -2.082 0.383) 2.122 6.535 ( 0.159 -2.082 0.383) 2.122 7.526 ( -0.834 3.129 0.978) 3.383 7.526 ( 0.834 3.129 0.978) 3.383 7.823 ( -0.342 1.906 1.913) 2.722 7.823 ( 0.342 1.906 1.913) 2.722 7.984 ( -0.326 -4.492 -0.346) 4.517 7.984 ( 0.326 -4.492 -0.346) 4.517 8.081 ( -0.659 -1.954 -0.567) 2.139 8.081 ( 0.659 -1.954 -0.567) 2.139 8.570 ( -2.058 0.942 0.408) 2.300 8.570 ( 2.058 0.942 0.408) 2.300 8.987 ( -0.466 -6.973 -0.519) 7.008 8.987 ( 0.466 -6.973 -0.519) 7.008 9.627 ( -0.444 5.838 0.644) 5.890 9.627 ( 0.444 5.838 0.644) 5.890 9.718 ( -1.204 4.216 -1.884) 4.772 9.718 ( 1.204 4.216 -1.884) 4.772 10.510 ( -0.960 -0.764 3.043) 3.281 10.510 ( 0.960 -0.764 3.043) 3.281 10.643 ( -0.664 -2.645 -3.919) 4.774 10.643 ( 0.664 -2.645 -3.919) 4.774 11.433 ( -0.492 3.057 1.821) 3.592 11.433 ( 0.492 3.057 1.821) 3.592 11.789 ( -0.623 -1.760 -2.136) 2.837 11.789 ( 0.623 -1.760 -2.136) 2.837 12.649 ( -1.789 0.241 4.861) 5.186 12.649 ( 1.789 0.241 4.861) 5.186 12.750 ( -4.381 -0.740 -2.997) 5.359 12.750 ( 4.381 -0.740 -2.997) 5.359 13.313 ( -1.390 5.757 -0.332) 5.931 13.313 ( 1.390 5.757 -0.332) 5.931 14.126 ( -1.409 -11.007 1.279) 11.170 14.126 ( 1.409 -11.007 1.279) 11.170 14.594 ( -2.480 3.035 3.106) 5.001 14.594 ( 2.480 3.035 3.106) 5.001 14.652 ( -3.643 2.881 -2.273) 5.171 14.652 ( 3.643 2.881 -2.273) 5.171 15.201 ( -1.997 2.315 2.604) 4.016 15.201 ( 1.997 2.315 2.604) 4.016 15.439 ( -2.211 -1.215 -4.668) 5.307 15.439 ( 2.211 -1.215 -4.668) 5.307 16.726 ( -1.619 1.024 2.874) 3.454 16.726 ( 1.619 1.024 2.874) 3.454 16.973 ( -3.774 -1.349 -2.402) 4.672 16.973 ( 3.774 -1.349 -2.402) 4.672 17.675 ( -0.983 0.253 -1.504) 1.815 17.675 ( 0.983 0.253 -1.504) 1.815 18.091 ( -0.602 -5.582 1.238) 5.749 18.091 ( 0.602 -5.582 1.238) 5.749 18.326 ( -1.299 5.090 0.613) 5.289 18.326 ( 1.299 5.090 0.613) 5.289 18.974 ( -1.831 -2.908 2.621) 4.322 18.974 ( 1.831 -2.908 2.621) 4.322 19.145 ( -1.351 -3.032 -0.287) 3.332 19.145 ( 1.351 -3.032 -0.287) 3.332 19.239 ( -2.388 -0.973 -2.494) 3.587 19.239 ( 2.388 -0.973 -2.494) 3.587 19.856 ( -1.041 9.662 0.057) 9.718 19.856 ( 1.041 9.662 0.057) 9.718 20.571 ( -1.786 -4.780 -1.691) 5.375 20.571 ( 1.786 -4.780 -1.691) 5.375 20.934 ( -0.753 1.211 0.551) 1.529 20.934 ( 0.753 1.211 0.551) 1.529 21.133 ( -1.520 -2.311 -0.664) 2.845 21.133 ( 1.520 -2.311 -0.664) 2.845 22.014 ( -1.201 2.930 1.540) 3.521 22.014 ( 1.201 2.930 1.540) 3.521 22.294 ( -1.776 -1.527 -0.845) 2.490 22.294 ( 1.776 -1.527 -0.845) 2.490 ======================= Grid point 176 (61/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.000 18.048 16.324) 24.335 1.664 ( 0.000 19.066 20.037) 27.658 1.905 ( 0.000 9.982 -14.661) 17.736 2.079 ( 0.000 14.621 -17.352) 22.691 2.309 ( 0.000 -11.975 16.653) 20.512 2.376 ( 0.000 -11.485 7.921) 13.952 2.534 ( 0.000 -9.186 -7.202) 11.672 2.627 ( 0.000 -8.253 -9.005) 12.215 2.790 ( 0.000 9.762 17.533) 20.067 2.979 ( 0.000 -2.943 -1.675) 3.386 3.079 ( 0.000 9.441 10.175) 13.880 3.177 ( 0.000 3.183 4.454) 5.474 3.300 ( 0.000 3.705 -4.912) 6.152 3.373 ( 0.000 -3.960 3.517) 5.296 3.461 ( 0.000 -1.488 -0.405) 1.542 3.518 ( 0.000 1.810 1.037) 2.086 3.583 ( 0.000 -4.542 -5.788) 7.357 3.632 ( 0.000 10.956 -21.661) 24.275 3.831 ( 0.000 -11.493 5.617) 12.792 3.865 ( 0.000 3.816 -1.394) 4.063 4.007 ( 0.000 -1.520 0.532) 1.610 4.084 ( 0.000 -2.265 -1.858) 2.930 4.319 ( 0.000 -7.528 0.166) 7.530 4.415 ( 0.000 -12.149 -10.762) 16.230 4.964 ( 0.000 2.120 10.242) 10.459 5.057 ( 0.000 0.526 5.301) 5.327 5.153 ( 0.000 4.109 -7.684) 8.714 5.233 ( 0.000 1.089 -9.199) 9.264 5.430 ( 0.000 7.407 5.495) 9.222 5.531 ( 0.000 2.524 -3.383) 4.221 5.589 ( 0.000 3.749 3.463) 5.104 5.699 ( 0.000 3.732 0.800) 3.817 5.733 ( 0.000 3.952 -3.387) 5.205 5.772 ( 0.000 -2.721 -4.673) 5.407 5.895 ( 0.000 -5.084 5.156) 7.241 5.988 ( 0.000 -3.518 -3.563) 5.008 6.298 ( 0.000 3.400 4.725) 5.821 6.355 ( 0.000 3.236 -0.405) 3.261 6.552 ( 0.000 -6.457 4.183) 7.693 6.607 ( 0.000 -6.912 -0.758) 6.953 7.495 ( 0.000 4.286 1.242) 4.462 7.522 ( 0.000 3.142 -1.130) 3.339 7.877 ( 0.000 -1.077 1.834) 2.127 7.910 ( 0.000 -0.358 -1.581) 1.621 8.037 ( 0.000 -1.148 1.074) 1.572 8.057 ( 0.000 -1.239 -1.251) 1.761 8.332 ( 0.000 -2.327 2.766) 3.615 8.377 ( 0.000 -4.093 -1.694) 4.430 8.764 ( 0.000 3.458 7.009) 7.816 8.923 ( 0.000 3.183 -7.950) 8.563 9.020 ( 0.000 -7.759 3.210) 8.397 9.099 ( 0.000 -5.428 -4.339) 6.949 9.670 ( 0.000 1.633 1.917) 2.518 9.708 ( 0.000 0.579 -0.880) 1.054 9.730 ( 0.000 -0.136 2.288) 2.292 9.775 ( 0.000 -1.300 -1.292) 1.833 10.093 ( 0.000 0.513 0.829) 0.975 10.132 ( 0.000 -1.440 -2.714) 3.072 10.269 ( 0.000 1.740 0.248) 1.757 10.293 ( 0.000 0.705 -1.801) 1.934 10.961 ( 0.000 8.841 0.812) 8.879 10.993 ( 0.000 8.519 -1.995) 8.750 11.288 ( 0.000 -7.058 2.901) 7.631 11.358 ( 0.000 -8.505 -3.774) 9.305 12.553 ( 0.000 -1.189 7.762) 7.853 12.634 ( 0.000 -4.797 1.265) 4.961 12.834 ( 0.000 0.468 1.843) 1.902 12.878 ( 0.000 -1.529 -1.637) 2.240 13.424 ( 0.000 -0.227 8.013) 8.016 13.523 ( 0.000 -3.917 -1.078) 4.062 13.879 ( 0.000 1.931 -4.071) 4.505 13.915 ( 0.000 0.481 -7.176) 7.192 14.730 ( 0.000 6.727 8.575) 10.899 14.898 ( 0.000 8.215 -7.724) 11.276 14.977 ( 0.000 -5.948 9.113) 10.882 15.109 ( 0.000 -3.466 -3.937) 5.245 15.229 ( 0.000 3.044 1.740) 3.507 15.283 ( 0.000 0.191 -3.123) 3.129 16.010 ( 0.000 0.410 0.625) 0.748 16.048 ( 0.000 -1.577 -3.068) 3.450 16.416 ( 0.000 3.151 3.017) 4.362 16.493 ( 0.000 1.890 -3.887) 4.322 16.821 ( 0.000 -9.298 3.539) 9.949 16.879 ( 0.000 -9.225 -1.983) 9.435 17.372 ( 0.000 3.813 0.924) 3.924 17.388 ( 0.000 2.541 -0.487) 2.587 17.731 ( 0.000 -3.774 0.833) 3.865 17.748 ( 0.000 -4.748 -1.020) 4.857 18.321 ( 0.000 2.611 5.407) 6.004 18.403 ( 0.000 -1.027 -2.440) 2.648 18.723 ( 0.000 2.333 1.174) 2.612 18.777 ( 0.000 0.527 -3.833) 3.869 19.227 ( 0.000 1.381 2.657) 2.995 19.275 ( 0.000 -0.786 -1.398) 1.604 19.341 ( 0.000 1.894 0.352) 1.926 19.356 ( 0.000 1.571 -1.094) 1.914 19.911 ( 0.000 11.034 5.704) 12.421 20.064 ( 0.000 13.260 -8.574) 15.791 20.327 ( 0.000 -5.503 5.281) 7.627 20.457 ( 0.000 -3.608 -6.036) 7.032 20.998 ( 0.000 6.256 5.453) 8.299 21.128 ( 0.000 2.812 -4.392) 5.215 21.175 ( 0.000 -1.978 -1.406) 2.427 21.225 ( 0.000 -0.867 -4.538) 4.620 21.983 ( 0.000 -1.498 1.797) 2.339 22.001 ( 0.000 -2.363 0.394) 2.395 22.536 ( 0.000 -2.579 2.874) 3.862 22.581 ( 0.000 -4.018 -1.466) 4.277 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 5.526 17.902 15.919) 24.585 1.739 ( 7.087 15.859 17.392) 24.581 1.968 ( 5.487 10.670 -13.308) 17.919 2.133 ( 4.796 10.981 -15.073) 19.255 2.328 ( 1.975 -11.966 14.242) 18.706 2.393 ( 2.228 -12.514 8.252) 15.154 2.531 ( 0.493 -10.551 -6.894) 12.613 2.653 ( 2.335 -10.142 -11.208) 15.295 2.869 ( 6.016 6.897 11.867) 14.986 2.973 ( -1.072 -1.930 -0.184) 2.215 3.072 ( -0.098 9.643 9.990) 13.885 3.178 ( 0.088 4.969 3.743) 6.222 3.285 ( -0.948 2.381 -3.391) 4.251 3.341 ( -2.055 -1.940 2.405) 3.711 3.462 ( -0.992 0.662 1.603) 1.997 3.501 ( -0.768 0.614 0.490) 1.099 3.574 ( -0.229 -3.444 -5.047) 6.114 3.685 ( 3.508 8.391 -13.600) 16.361 3.839 ( -0.249 -1.597 -0.730) 1.774 3.862 ( 0.111 -1.425 0.076) 1.431 3.967 ( -3.519 -1.583 2.355) 4.521 4.078 ( 0.224 -0.866 -4.627) 4.712 4.336 ( 2.272 -8.452 0.874) 8.795 4.443 ( 3.058 -10.556 -10.245) 15.024 4.910 ( -4.626 3.313 9.089) 10.723 5.056 ( -4.994 -1.918 1.107) 5.463 5.106 ( -0.132 5.085 -2.899) 5.855 5.216 ( -1.285 0.438 -6.312) 6.456 5.469 ( 3.136 8.123 3.561) 9.407 5.537 ( 1.589 6.110 -2.316) 6.724 5.614 ( 2.005 2.955 2.948) 4.631 5.700 ( -0.432 2.670 -1.595) 3.140 5.788 ( 4.888 2.078 -0.677) 5.354 5.826 ( 4.666 -1.534 -3.308) 5.922 5.937 ( 4.350 -5.772 3.836) 8.182 6.018 ( 2.887 -3.962 -3.315) 5.918 6.299 ( -0.017 2.609 4.126) 4.881 6.353 ( -0.346 2.474 -0.655) 2.582 6.507 ( -4.495 -6.523 3.259) 8.566 6.548 ( -5.532 -6.931 -0.369) 8.876 7.488 ( -0.343 4.258 2.147) 4.781 7.530 ( 0.697 2.999 -1.686) 3.510 7.854 ( -2.088 -1.362 1.803) 3.077 7.891 ( -1.699 -1.170 -1.886) 2.795 8.045 ( 0.554 0.029 1.441) 1.544 8.070 ( 1.018 -0.514 -1.197) 1.653 8.320 ( -1.141 -2.672 3.375) 4.454 8.381 ( -0.224 -5.087 -2.441) 5.647 8.707 ( -4.823 5.032 6.018) 9.209 8.839 ( -6.897 4.356 -6.414) 10.377 8.998 ( -2.822 -8.674 3.464) 9.757 9.076 ( -3.151 -7.456 -3.871) 8.973 9.650 ( 0.234 2.330 4.233) 4.837 9.727 ( 1.901 0.761 -0.085) 2.049 9.748 ( 0.219 0.662 -0.977) 1.200 9.801 ( 1.754 0.023 -2.911) 3.399 10.131 ( 4.115 0.205 0.847) 4.206 10.174 ( 4.137 -1.503 -2.891) 5.266 10.303 ( 3.535 1.305 0.909) 3.876 10.337 ( 3.787 -0.077 -2.047) 4.306 11.040 ( 7.658 8.512 0.633) 11.467 11.063 ( 6.797 8.134 -1.321) 10.682 11.358 ( 6.653 -6.306 1.822) 9.345 11.415 ( 5.530 -7.738 -3.495) 10.133 12.554 ( 0.103 -1.188 7.457) 7.551 12.625 ( -0.734 -4.327 1.947) 4.801 12.838 ( 0.278 -0.048 1.444) 1.471 12.877 ( -0.185 -1.820 -1.424) 2.318 13.435 ( 0.588 3.383 8.524) 9.190 13.558 ( 2.718 -2.383 -1.835) 4.053 13.823 ( -5.221 0.171 -4.048) 6.609 13.855 ( -4.474 -1.495 -6.417) 7.964 14.693 ( -3.572 5.292 6.645) 9.215 14.792 ( -8.786 4.076 -0.884) 9.726 14.919 ( -2.825 -0.381 2.268) 3.643 15.007 ( -6.647 -1.858 -4.280) 8.121 15.325 ( 4.836 1.129 2.352) 5.495 15.353 ( 4.034 0.274 -0.292) 4.054 15.945 ( -7.041 0.879 1.136) 7.186 16.008 ( -4.916 -2.583 -5.103) 7.541 16.413 ( 0.967 3.485 2.468) 4.378 16.472 ( -0.797 2.289 -2.974) 3.836 16.868 ( 3.809 -8.371 3.076) 9.697 16.916 ( 3.375 -8.960 -1.582) 9.704 17.413 ( 3.705 3.612 1.366) 5.351 17.443 ( 5.189 2.883 -1.285) 6.074 17.757 ( 2.561 -3.855 1.438) 4.847 17.794 ( 4.143 -4.889 -2.241) 6.788 18.318 ( -0.034 3.919 4.954) 6.317 18.406 ( 0.458 -0.336 -3.357) 3.404 18.736 ( 0.922 1.148 1.868) 2.378 18.791 ( 0.890 -0.464 -3.209) 3.362 19.183 ( -3.151 1.520 2.139) 4.101 19.223 ( -3.395 1.250 -1.439) 3.893 19.330 ( -1.051 -0.831 1.777) 2.225 19.368 ( -0.352 -1.968 -1.891) 2.752 19.952 ( 3.413 10.660 5.592) 12.512 20.092 ( 2.007 10.965 -6.952) 13.138 20.341 ( 1.485 -3.789 3.841) 5.596 20.454 ( 0.058 -3.006 -5.838) 6.567 20.993 ( -0.536 5.737 5.253) 7.797 21.122 ( -0.868 2.790 -5.420) 6.157 21.155 ( -1.741 -1.714 0.840) 2.583 21.225 ( -0.149 -1.582 -4.987) 5.234 21.978 ( -0.478 -1.519 1.815) 2.415 21.993 ( -0.558 -2.317 0.727) 2.491 22.504 ( -2.922 -1.027 3.156) 4.422 22.562 ( -2.148 -3.596 -2.465) 4.860 ======================= Grid point 178 (63/72) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 9.703 12.583 13.247) 20.687 1.910 ( 9.972 12.023 11.242) 19.245 2.073 ( 4.802 6.524 -7.292) 10.900 2.234 ( 5.275 4.969 -10.271) 12.570 2.373 ( 2.458 -11.199 10.027) 15.231 2.465 ( 4.053 -9.722 4.342) 11.393 2.578 ( 4.786 -10.269 -5.774) 12.716 2.708 ( 2.953 -8.398 -10.439) 13.720 2.906 ( -3.271 0.770 1.295) 3.601 2.930 ( -2.836 -0.189 -0.054) 2.843 3.086 ( 0.195 4.334 6.162) 7.536 3.166 ( -1.656 4.464 -0.631) 4.803 3.261 ( -2.292 -2.015 0.900) 3.182 3.315 ( -2.323 -0.236 -0.710) 2.440 3.432 ( -0.124 5.262 4.543) 6.953 3.509 ( 0.542 1.193 -1.534) 2.017 3.598 ( 4.012 1.036 3.453) 5.393 3.728 ( 0.472 1.739 -0.465) 1.861 3.796 ( -3.854 1.879 -1.101) 4.427 3.833 ( -2.149 -0.738 -3.047) 3.801 3.956 ( 2.873 3.372 3.983) 5.958 4.136 ( 6.755 2.843 -11.361) 13.520 4.409 ( 4.939 -6.498 2.798) 8.628 4.531 ( 5.289 -7.241 -8.175) 12.134 4.819 ( -3.773 3.032 6.317) 7.958 4.929 ( -6.032 1.140 -2.982) 6.825 5.101 ( -2.038 1.639 2.496) 3.615 5.188 ( -1.622 -0.991 -4.498) 4.884 5.532 ( 2.597 8.049 3.031) 8.985 5.566 ( 0.777 7.340 0.492) 7.397 5.643 ( 0.108 2.766 1.941) 3.381 5.697 ( 0.916 3.291 -3.318) 4.762 5.880 ( 3.866 0.786 1.120) 4.101 5.914 ( 3.816 -0.849 -1.833) 4.318 6.054 ( 7.092 -6.088 1.309) 9.438 6.092 ( 4.632 -5.112 -1.825) 7.136 6.288 ( -1.308 0.057 3.250) 3.504 6.340 ( -0.675 -0.429 -1.122) 1.378 6.397 ( -5.885 -4.737 2.135) 7.850 6.436 ( -4.966 -5.355 -0.982) 7.369 7.494 ( 1.078 4.240 3.161) 5.397 7.550 ( 1.527 2.861 -1.974) 3.797 7.810 ( -2.135 -1.462 1.939) 3.233 7.855 ( -1.831 -1.769 -2.301) 3.432 8.046 ( -0.655 0.825 2.204) 2.443 8.082 ( -0.097 0.509 -1.380) 1.474 8.278 ( -3.769 -3.774 3.409) 6.329 8.345 ( -3.874 -5.402 -2.677) 7.166 8.617 ( -3.984 5.762 4.432) 8.290 8.715 ( -4.861 4.933 -4.456) 8.235 8.920 ( -4.361 -9.087 3.132) 10.555 8.989 ( -4.995 -8.700 -3.261) 10.549 9.677 ( 1.763 2.988 4.046) 5.330 9.739 ( -0.216 1.754 1.001) 2.031 9.774 ( 1.771 2.563 -1.997) 3.701 9.824 ( 0.903 1.629 -4.012) 4.423 10.238 ( 6.252 -0.249 1.515) 6.438 10.276 ( 5.994 -1.563 -1.294) 6.329 10.389 ( 4.905 -0.148 -0.444) 4.927 10.421 ( 4.651 -1.618 -2.689) 5.611 11.222 ( 9.970 7.610 0.238) 12.545 11.226 ( 9.286 7.759 0.060) 12.101 11.507 ( 7.848 -4.870 0.209) 9.239 11.545 ( 7.121 -6.091 -3.188) 9.898 12.560 ( 0.592 -1.006 6.573) 6.675 12.613 ( -0.377 -3.311 3.002) 4.486 12.834 ( -1.092 -0.534 1.290) 1.772 12.873 ( -0.124 -1.940 -1.419) 2.407 13.418 ( -2.320 9.505 5.838) 11.393 13.543 ( -5.967 6.165 -5.129) 9.996 13.761 ( 1.643 -7.108 1.474) 7.443 13.833 ( 2.549 -8.155 -4.898) 9.848 14.615 ( -3.651 3.537 3.831) 6.366 14.663 ( -4.317 2.035 -0.491) 4.797 14.854 ( -3.899 1.342 0.899) 4.221 14.898 ( -4.673 -0.576 -3.000) 5.583 15.356 ( -1.134 1.913 5.105) 5.569 15.401 ( 0.663 -0.179 1.382) 1.543 15.756 ( -11.311 1.965 0.522) 11.492 15.853 ( -10.315 -2.994 -8.283) 13.564 16.472 ( 4.660 2.399 1.594) 5.478 16.504 ( 4.122 1.629 -1.309) 4.622 16.925 ( 1.683 -4.724 4.227) 6.558 16.991 ( 3.594 -7.463 -2.068) 8.537 17.502 ( 5.227 3.805 1.423) 6.620 17.550 ( 5.202 3.533 -2.958) 6.949 17.820 ( 3.674 -4.624 2.443) 6.391 17.881 ( 4.242 -4.951 -3.063) 7.203 18.331 ( 1.594 5.605 4.334) 7.262 18.422 ( 1.097 1.095 -4.247) 4.521 18.746 ( 0.200 -2.720 2.350) 3.600 18.793 ( -0.749 -3.422 -2.099) 4.083 19.142 ( -0.859 1.786 2.213) 2.971 19.182 ( -0.815 1.992 -1.610) 2.687 19.306 ( -1.097 -3.396 1.705) 3.955 19.342 ( -1.874 -4.194 -1.787) 4.929 19.999 ( 0.920 10.164 4.910) 11.326 20.113 ( -0.068 8.838 -5.428) 10.372 20.381 ( 2.413 -3.028 3.322) 5.102 20.474 ( 1.923 -3.130 -5.317) 6.462 20.975 ( -1.316 4.641 4.394) 6.525 21.077 ( -3.534 2.510 -4.667) 6.369 21.131 ( -0.743 -1.360 2.115) 2.622 21.209 ( -1.626 -2.812 -5.219) 6.147 21.970 ( -0.034 -0.697 2.619) 2.710 21.993 ( 0.695 -1.786 0.450) 1.969 22.437 ( -3.862 0.764 2.679) 4.762 22.500 ( -4.037 -2.397 -3.370) 5.779 ======================= Grid point 179 (64/72) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 11.444 5.380 8.340) 15.149 2.100 ( 9.241 6.795 3.205) 11.910 2.163 ( 4.774 0.334 0.837) 4.858 2.302 ( 1.312 0.380 -4.347) 4.557 2.445 ( 4.925 -3.313 4.392) 7.384 2.520 ( 2.373 -5.566 0.865) 6.112 2.676 ( 0.303 -4.712 -3.184) 5.695 2.712 ( -1.441 -3.871 -3.739) 5.572 2.833 ( -2.703 1.062 -1.692) 3.361 2.889 ( 0.884 -0.766 -4.487) 4.637 3.052 ( -3.173 1.776 2.848) 4.619 3.116 ( -2.967 2.419 -3.199) 4.989 3.207 ( -3.090 -3.190 0.787) 4.510 3.230 ( -5.015 -1.621 -1.412) 5.456 3.416 ( -2.396 2.387 1.977) 3.918 3.492 ( -2.165 0.192 -4.162) 4.695 3.641 ( -2.166 1.078 5.160) 5.699 3.718 ( -1.103 0.545 -1.087) 1.642 3.776 ( 2.202 0.355 2.718) 3.517 3.826 ( 0.318 -2.025 -0.730) 2.176 4.088 ( 11.885 8.675 8.585) 17.036 4.318 ( 10.548 3.626 -10.444) 15.280 4.501 ( 4.001 -0.730 4.396) 5.989 4.599 ( 1.321 0.543 -2.780) 3.125 4.791 ( -0.271 0.162 1.647) 1.676 4.870 ( 1.315 -0.735 -4.705) 4.940 5.039 ( -3.587 0.592 4.387) 5.698 5.142 ( -3.165 -2.522 -4.790) 6.270 5.548 ( -0.978 4.979 2.881) 5.835 5.565 ( -0.524 4.854 1.597) 5.137 5.624 ( -1.723 1.604 2.436) 3.387 5.705 ( -1.079 1.939 -4.544) 5.057 5.932 ( 1.680 3.550 1.550) 4.222 5.962 ( 1.030 1.294 -0.982) 1.923 6.156 ( 2.633 -5.211 0.817) 5.895 6.174 ( 2.699 -4.729 -1.225) 5.581 6.268 ( -0.275 -2.415 2.022) 3.162 6.312 ( -1.856 -3.600 -1.771) 4.421 6.355 ( 1.887 -1.920 1.811) 3.245 6.391 ( 1.185 -2.403 -1.400) 3.023 7.529 ( 2.410 4.411 3.498) 6.124 7.588 ( 2.225 3.468 -1.899) 4.536 7.780 ( -0.733 -1.652 2.076) 2.753 7.827 ( -0.902 -1.689 -2.201) 2.917 8.014 ( -2.729 0.160 2.801) 3.914 8.054 ( -2.985 1.216 -1.123) 3.413 8.171 ( -6.591 -4.359 2.504) 8.290 8.233 ( -7.254 -4.510 -3.047) 9.069 8.567 ( -0.881 4.934 4.608) 6.808 8.660 ( -1.509 3.480 -3.916) 5.452 8.857 ( -1.977 -8.861 1.954) 9.287 8.908 ( -3.117 -8.229 -2.738) 9.215 9.703 ( 1.020 3.865 2.330) 4.626 9.739 ( 0.262 3.567 -0.257) 3.586 9.794 ( 0.311 3.774 0.038) 3.787 9.835 ( 0.072 3.018 -3.058) 4.297 10.352 ( 5.280 -0.829 3.234) 6.247 10.388 ( 5.196 -2.055 0.893) 5.659 10.483 ( 4.658 -1.440 -2.741) 5.594 10.508 ( 4.152 -2.703 -3.876) 6.291 11.383 ( 6.834 6.871 1.413) 9.794 11.397 ( 7.287 6.889 0.002) 10.028 11.637 ( 5.288 -4.015 -0.569) 6.664 11.665 ( 4.901 -4.730 -3.133) 7.497 12.580 ( 1.501 -0.538 5.258) 5.494 12.616 ( 0.795 -2.033 3.306) 3.962 12.794 ( -2.804 0.670 2.147) 3.595 12.864 ( -1.292 -2.527 -3.179) 4.262 13.383 ( -0.622 9.076 1.348) 9.196 13.430 ( -3.042 8.497 -3.121) 9.549 13.832 ( 3.883 -8.752 3.821) 10.309 13.901 ( 3.010 -10.506 -2.790) 11.279 14.576 ( -0.301 2.830 2.207) 3.602 14.612 ( -1.150 1.632 -1.065) 2.263 14.782 ( -3.283 1.573 1.008) 3.778 14.819 ( -3.579 -0.247 -2.440) 4.338 15.306 ( -3.428 3.111 7.161) 8.526 15.380 ( -2.686 -0.013 2.166) 3.451 15.551 ( -9.136 1.753 -1.403) 9.408 15.651 ( -9.807 -2.735 -9.296) 13.786 16.576 ( 5.786 1.472 2.180) 6.356 16.610 ( 6.164 0.542 -0.730) 6.230 16.935 ( -0.530 -1.278 4.969) 5.158 17.029 ( 0.113 -5.332 -3.810) 6.555 17.604 ( 4.983 3.237 0.112) 5.943 17.634 ( 3.590 4.852 -2.882) 6.689 17.886 ( 2.921 -6.484 3.104) 7.760 17.948 ( 2.640 -5.119 -2.439) 6.255 18.375 ( 2.629 6.791 3.072) 7.904 18.439 ( 0.491 3.614 -2.958) 4.696 18.756 ( 1.065 -7.786 1.730) 8.046 18.782 ( 0.454 -7.249 -0.980) 7.329 19.140 ( 0.229 2.736 2.222) 3.532 19.177 ( -0.142 3.109 -1.220) 3.342 19.290 ( -0.844 -3.502 0.131) 3.605 19.303 ( -2.294 -3.725 -1.214) 4.540 20.003 ( 0.130 10.430 3.958) 11.156 20.097 ( -1.132 9.559 -5.022) 10.857 20.420 ( 1.225 -5.154 3.909) 6.583 20.504 ( 0.583 -5.387 -4.256) 6.890 20.950 ( -0.913 3.514 2.705) 4.528 21.010 ( -2.864 2.517 -2.739) 4.694 21.114 ( -1.121 -1.606 1.024) 2.211 21.165 ( -2.783 -3.726 -3.836) 6.028 21.987 ( 1.887 1.077 3.125) 3.806 22.019 ( 1.977 -0.469 0.102) 2.034 22.358 ( -4.274 0.966 1.808) 4.740 22.413 ( -4.841 -1.747 -3.379) 6.157 ======================= Grid point 180 (65/72) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 6.233 2.610 4.254) 7.985 2.226 ( 1.619 1.005 1.365) 2.344 2.250 ( 5.126 1.921 3.240) 6.361 2.339 ( 4.537 -1.377 -3.949) 6.170 2.510 ( 2.518 1.217 -0.702) 2.883 2.558 ( -2.052 1.594 -4.066) 4.825 2.606 ( -0.180 -4.546 2.950) 5.423 2.678 ( -2.514 -4.539 -3.334) 6.167 2.845 ( 1.315 1.245 1.431) 2.308 2.907 ( -0.247 -0.287 -3.519) 3.539 2.977 ( -4.739 0.879 2.994) 5.674 3.042 ( -5.732 -1.538 -2.971) 6.637 3.160 ( 1.284 2.420 1.944) 3.359 3.212 ( 3.447 1.876 -2.986) 4.931 3.365 ( -2.880 2.741 2.180) 4.534 3.436 ( -3.389 0.381 -3.512) 4.895 3.607 ( -0.156 0.620 4.712) 4.755 3.695 ( -0.800 0.046 -1.927) 2.087 3.781 ( -2.365 -3.044 -0.289) 3.865 3.808 ( -2.099 -2.605 -1.924) 3.859 4.343 ( 11.931 4.520 7.594) 14.848 4.483 ( 5.599 1.522 -3.193) 6.623 4.568 ( 3.077 2.254 2.716) 4.682 4.615 ( 0.610 2.905 -0.828) 3.081 4.788 ( 1.044 1.665 3.995) 4.453 4.915 ( -0.595 -0.373 -5.232) 5.279 5.003 ( 1.406 -4.841 2.287) 5.535 5.083 ( -2.441 -5.012 -3.905) 6.807 5.515 ( -1.479 4.772 3.617) 6.168 5.554 ( -1.624 3.538 0.505) 3.926 5.583 ( -1.071 0.518 1.657) 2.039 5.661 ( -3.027 -0.904 -4.284) 5.323 5.946 ( 0.059 5.501 0.687) 5.544 5.962 ( -0.606 4.841 -0.768) 4.939 6.189 ( 1.381 -5.170 0.396) 5.366 6.203 ( 0.912 -4.346 -1.199) 4.599 6.264 ( 0.111 2.082 0.524) 2.150 6.283 ( -1.147 -0.377 -1.354) 1.814 6.427 ( 3.892 -4.395 1.451) 6.047 6.445 ( 2.855 -4.255 -0.198) 5.128 7.577 ( 2.300 5.077 2.861) 6.265 7.620 ( 0.598 5.241 -1.130) 5.394 7.793 ( 2.267 -2.652 1.940) 3.992 7.828 ( 1.277 -1.621 -1.260) 2.417 7.943 ( -4.344 -1.250 2.546) 5.188 7.973 ( -4.853 0.151 -0.295) 4.865 8.062 ( -4.096 -4.162 0.953) 5.917 8.098 ( -5.936 -3.770 -2.003) 7.312 8.577 ( 1.535 4.062 2.944) 5.247 8.638 ( -1.032 3.047 -2.619) 4.148 8.838 ( -0.259 -8.182 0.562) 8.205 8.866 ( -1.560 -7.637 -1.955) 8.036 9.724 ( 1.201 4.759 1.174) 5.047 9.745 ( 0.274 5.337 -0.501) 5.367 9.793 ( -0.176 4.033 0.621) 4.085 9.824 ( -1.161 3.656 -2.108) 4.377 10.437 ( 3.472 -1.564 4.324) 5.761 10.464 ( 2.488 -2.425 3.052) 4.624 10.558 ( 2.860 -2.162 -4.755) 5.955 10.572 ( 2.239 -2.849 -4.787) 6.004 11.481 ( 3.367 6.079 1.824) 7.185 11.495 ( 2.888 5.942 0.578) 6.632 11.710 ( 2.400 -3.774 -1.146) 4.617 11.727 ( 1.652 -4.103 -2.721) 5.193 12.615 ( 2.048 0.084 4.391) 4.846 12.645 ( 2.023 -1.099 3.067) 3.835 12.738 ( -2.557 1.441 1.239) 3.186 12.812 ( -3.899 -2.089 -3.960) 5.937 13.405 ( 2.961 9.069 1.178) 9.612 13.439 ( 2.260 8.660 -2.106) 9.194 13.879 ( 1.010 -11.088 2.910) 11.508 13.921 ( -0.835 -11.874 -1.123) 11.957 14.597 ( 2.223 2.474 1.868) 3.815 14.617 ( 1.637 1.867 0.198) 2.491 14.728 ( -2.489 2.040 0.267) 3.230 14.758 ( -3.041 0.490 -2.166) 3.765 15.252 ( -1.600 3.446 5.934) 7.046 15.310 ( -3.849 1.888 1.944) 4.707 15.426 ( -3.674 -0.529 -2.252) 4.341 15.492 ( -6.490 -2.415 -7.545) 10.242 16.683 ( 5.036 1.496 3.263) 6.185 16.721 ( 4.737 0.577 0.549) 4.803 16.915 ( -0.981 -0.733 2.498) 2.782 16.997 ( -3.081 -3.848 -4.439) 6.634 17.679 ( 2.679 2.987 -0.714) 4.076 17.693 ( 2.346 5.070 -2.017) 5.940 17.930 ( 1.755 -7.878 2.574) 8.472 17.977 ( 0.246 -6.643 -1.884) 6.909 18.423 ( 2.174 7.820 1.470) 8.249 18.447 ( 0.521 6.707 -0.848) 6.780 18.787 ( 2.157 -9.953 2.074) 10.393 18.813 ( 1.850 -10.318 -0.221) 10.484 19.145 ( 0.403 2.701 1.463) 3.098 19.173 ( -0.193 3.361 -1.148) 3.557 19.250 ( -2.738 -1.605 -0.307) 3.188 19.265 ( -1.845 -1.542 -1.382) 2.773 20.020 ( 1.629 10.627 2.538) 11.046 20.078 ( -0.844 10.820 -3.056) 11.275 20.427 ( 0.065 -7.566 2.594) 7.999 20.487 ( -2.088 -7.628 -3.095) 8.493 20.949 ( 0.755 2.533 1.059) 2.847 20.976 ( -0.735 2.312 -1.569) 2.888 21.090 ( -1.241 -2.188 0.242) 2.527 21.112 ( -2.498 -3.779 -1.943) 4.929 22.037 ( 2.933 2.773 2.943) 4.995 22.063 ( 2.288 1.733 0.570) 2.926 22.280 ( -3.409 -0.450 0.684) 3.506 22.320 ( -4.582 -2.058 -2.898) 5.799 ======================= Grid point 181 (66/72) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -1.254 3.981 3.935) 5.737 2.214 ( 1.254 3.981 3.935) 5.737 2.359 ( -4.293 -0.493 -3.558) 5.598 2.359 ( 4.293 -0.493 -3.558) 5.598 2.563 ( -2.990 -1.027 -0.788) 3.258 2.563 ( 2.990 -1.027 -0.788) 3.258 2.609 ( -5.279 -2.834 -2.426) 6.465 2.609 ( 5.279 -2.834 -2.426) 6.465 2.876 ( -3.058 0.679 2.155) 3.802 2.876 ( 3.058 0.679 2.155) 3.802 2.943 ( -3.272 -1.979 -0.936) 3.936 2.943 ( 3.272 -1.979 -0.936) 3.936 3.240 ( -4.533 5.778 3.527) 8.147 3.240 ( 4.533 5.778 3.527) 8.147 3.355 ( -4.500 2.819 -3.550) 6.388 3.355 ( 4.500 2.819 -3.550) 6.388 3.654 ( -4.155 -0.315 3.744) 5.602 3.654 ( 4.155 -0.315 3.744) 5.602 3.758 ( -2.061 -4.116 -5.073) 6.850 3.758 ( 2.061 -4.116 -5.073) 6.850 4.503 ( -4.366 1.989 4.445) 6.540 4.503 ( 4.366 1.989 4.445) 6.540 4.607 ( -1.503 0.896 -1.480) 2.292 4.607 ( 1.503 0.896 -1.480) 2.292 4.852 ( -4.507 1.588 3.121) 5.708 4.852 ( 4.507 1.588 3.121) 5.708 5.046 ( -1.868 -7.046 -2.827) 7.818 5.046 ( 1.868 -7.046 -2.827) 7.818 5.513 ( -1.407 4.872 2.522) 5.664 5.513 ( 1.407 4.872 2.522) 5.664 5.603 ( -2.471 -0.075 -2.492) 3.510 5.603 ( 2.471 -0.075 -2.492) 3.510 5.950 ( -0.484 5.923 -0.354) 5.953 5.950 ( 0.484 5.923 -0.354) 5.953 6.208 ( -0.493 -6.855 -0.888) 6.930 6.208 ( 0.493 -6.855 -0.888) 6.930 6.270 ( -0.394 3.946 0.077) 3.967 6.270 ( 0.394 3.946 0.077) 3.967 6.471 ( -0.434 -4.702 0.695) 4.773 6.471 ( 0.434 -4.702 0.695) 4.773 7.611 ( -1.210 5.756 1.014) 5.969 7.611 ( 1.210 5.756 1.014) 5.969 7.853 ( -2.715 -2.721 2.035) 4.349 7.853 ( 2.715 -2.721 2.035) 4.349 7.889 ( -2.801 -1.091 -0.715) 3.090 7.889 ( 2.801 -1.091 -0.715) 3.090 8.028 ( -0.922 -3.670 -0.247) 3.792 8.028 ( 0.922 -3.670 -0.247) 3.792 8.612 ( -1.726 3.630 0.053) 4.020 8.612 ( 1.726 3.630 0.053) 4.020 8.843 ( -0.767 -7.734 -0.856) 7.819 8.843 ( 0.767 -7.734 -0.856) 7.819 9.744 ( -0.618 5.911 0.475) 5.963 9.744 ( 0.618 5.911 0.475) 5.963 9.799 ( -1.025 3.577 -0.850) 3.817 9.799 ( 1.025 3.577 -0.850) 3.817 10.480 ( -0.822 -2.193 4.310) 4.906 10.480 ( 0.822 -2.193 4.310) 4.906 10.590 ( -0.392 -2.596 -5.347) 5.957 10.590 ( 0.392 -2.596 -5.347) 5.957 11.517 ( -0.430 5.624 1.397) 5.811 11.517 ( 0.430 5.624 1.397) 5.811 11.737 ( -0.501 -3.847 -1.931) 4.334 11.737 ( 0.501 -3.847 -1.931) 4.334 12.654 ( -1.689 0.301 4.755) 5.055 12.654 ( 1.689 0.301 4.755) 5.055 12.737 ( -3.043 -0.510 -2.851) 4.201 12.737 ( 3.043 -0.510 -2.851) 4.201 13.457 ( -1.206 9.456 -0.145) 9.533 13.457 ( 1.206 9.456 -0.145) 9.533 13.894 ( -1.210 -13.017 0.598) 13.087 13.894 ( 1.210 -13.017 0.598) 13.087 14.642 ( -1.228 2.056 2.814) 3.695 14.642 ( 1.228 2.056 2.814) 3.696 14.703 ( -1.603 1.948 -2.236) 3.371 14.703 ( 1.603 1.948 -2.236) 3.371 15.254 ( -1.731 2.969 3.011) 4.569 15.254 ( 1.731 2.969 3.011) 4.569 15.408 ( -1.868 -1.938 -4.260) 5.039 15.408 ( 1.868 -1.938 -4.260) 5.039 16.755 ( -1.712 1.935 3.783) 4.581 16.755 ( 1.712 1.935 3.783) 4.581 16.931 ( -2.971 -2.927 -3.041) 5.162 16.931 ( 2.971 -2.927 -3.041) 5.162 17.711 ( -0.511 3.905 -1.035) 4.072 17.711 ( 0.511 3.905 -1.035) 4.072 17.961 ( -1.514 -7.789 -0.055) 7.935 17.961 ( 1.514 -7.789 -0.055) 7.935 18.451 ( -0.516 8.031 0.473) 8.061 18.451 ( 0.516 8.031 0.473) 8.061 18.824 ( -0.987 -10.855 1.394) 10.989 18.824 ( 0.987 -10.855 1.394) 10.989 19.161 ( -1.154 2.925 -0.282) 3.157 19.161 ( 1.154 2.925 -0.282) 3.157 19.230 ( -1.134 -0.464 -0.892) 1.516 19.230 ( 1.134 -0.464 -0.892) 1.516 20.055 ( -1.698 11.126 0.124) 11.255 20.055 ( 1.698 11.126 0.124) 11.255 20.444 ( -1.839 -8.586 -0.683) 8.807 20.444 ( 1.839 -8.586 -0.683) 8.807 20.967 ( -0.702 2.235 -0.174) 2.349 20.967 ( 0.702 2.235 -0.174) 2.349 21.079 ( -0.549 -3.195 -0.711) 3.319 21.079 ( 0.549 -3.195 -0.711) 3.319 22.082 ( -1.034 3.920 2.245) 4.634 22.082 ( 1.034 3.920 2.245) 4.634 22.254 ( -1.426 -2.614 -1.645) 3.402 22.254 ( 1.426 -2.614 -1.645) 3.402 ======================= Grid point 187 (67/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.000 -13.190 8.536) 15.711 1.879 ( 0.000 13.190 8.536) 15.711 2.021 ( 0.000 -17.444 16.617) 24.092 2.021 ( 0.000 17.444 16.617) 24.092 2.319 ( 0.000 -6.243 -9.981) 11.772 2.319 ( 0.000 6.243 -9.981) 11.772 2.400 ( 0.000 -9.855 -11.235) 14.944 2.400 ( 0.000 9.855 -11.235) 14.944 2.920 ( 0.000 -3.811 1.264) 4.015 2.920 ( 0.000 3.811 1.264) 4.015 3.254 ( 0.000 -4.091 7.455) 8.504 3.254 ( 0.000 4.091 7.455) 8.504 3.338 ( 0.000 -7.256 2.026) 7.534 3.338 ( 0.000 7.256 2.026) 7.534 3.471 ( 0.000 -9.111 4.003) 9.951 3.471 ( 0.000 9.111 4.003) 9.951 3.571 ( 0.000 -7.253 5.245) 8.951 3.571 ( 0.000 7.253 5.245) 8.951 3.846 ( 0.000 -8.479 -8.848) 12.255 3.846 ( 0.000 8.479 -8.848) 12.255 4.042 ( 0.000 -5.794 -9.292) 10.951 4.042 ( 0.000 5.794 -9.292) 10.951 4.255 ( 0.000 -2.199 -3.409) 4.057 4.255 ( 0.000 2.199 -3.409) 4.057 5.016 ( 0.000 -3.328 8.969) 9.566 5.016 ( 0.000 3.328 8.969) 9.566 5.222 ( 0.000 -2.425 -9.820) 10.115 5.222 ( 0.000 2.425 -9.820) 10.115 5.521 ( 0.000 -2.320 2.292) 3.262 5.521 ( 0.000 2.320 2.292) 3.262 5.696 ( 0.000 -5.283 -0.830) 5.348 5.696 ( 0.000 5.283 -0.830) 5.348 5.757 ( 0.000 -3.306 0.951) 3.440 5.757 ( 0.000 3.306 0.951) 3.440 5.895 ( 0.000 -5.725 -2.760) 6.356 5.895 ( 0.000 5.725 -2.760) 6.356 6.374 ( 0.000 -3.463 4.794) 5.914 6.374 ( 0.000 3.463 4.794) 5.914 6.497 ( 0.000 -3.285 -0.346) 3.303 6.497 ( 0.000 3.285 -0.346) 3.303 7.548 ( 0.000 -0.842 0.397) 0.931 7.548 ( 0.000 0.842 0.397) 0.931 7.883 ( 0.000 -1.763 -0.408) 1.810 7.883 ( 0.000 1.763 -0.408) 1.810 8.040 ( 0.000 -0.971 0.356) 1.034 8.040 ( 0.000 0.971 0.356) 1.034 8.319 ( 0.000 -1.382 0.210) 1.397 8.319 ( 0.000 1.382 0.210) 1.397 8.869 ( 0.000 -7.242 5.383) 9.023 8.869 ( 0.000 7.242 5.383) 9.023 9.001 ( 0.000 -4.735 -6.714) 8.216 9.001 ( 0.000 4.735 -6.714) 8.216 9.704 ( 0.000 -1.553 2.040) 2.564 9.704 ( 0.000 1.553 2.040) 2.564 9.743 ( 0.000 -1.761 -0.945) 1.999 9.743 ( 0.000 1.761 -0.945) 1.999 10.108 ( 0.000 -1.088 -0.917) 1.423 10.108 ( 0.000 1.088 -0.917) 1.423 10.292 ( 0.000 -0.728 -0.728) 1.030 10.292 ( 0.000 0.728 -0.728) 1.030 11.099 ( 0.000 -3.273 0.358) 3.293 11.099 ( 0.000 3.273 0.358) 3.293 11.209 ( 0.000 -4.535 -1.442) 4.759 11.209 ( 0.000 4.535 -1.442) 4.759 12.565 ( 0.000 -2.352 5.404) 5.893 12.565 ( 0.000 2.352 5.404) 5.893 12.851 ( 0.000 -1.282 -0.112) 1.287 12.851 ( 0.000 1.282 -0.112) 1.287 13.455 ( 0.000 -3.058 2.286) 3.818 13.455 ( 0.000 3.058 2.286) 3.818 13.909 ( 0.000 -1.101 -5.409) 5.519 13.909 ( 0.000 1.101 -5.409) 5.519 14.857 ( 0.000 -6.733 9.723) 11.827 14.857 ( 0.000 6.733 9.723) 11.827 15.025 ( 0.000 -5.542 -6.349) 8.428 15.025 ( 0.000 5.542 -6.349) 8.428 15.274 ( 0.000 -1.467 -0.526) 1.559 15.274 ( 0.000 1.467 -0.526) 1.559 16.023 ( 0.000 -1.001 -1.663) 1.941 16.023 ( 0.000 1.001 -1.663) 1.941 16.490 ( 0.000 -3.352 1.419) 3.640 16.490 ( 0.000 3.352 1.419) 3.640 16.747 ( 0.000 -2.963 -1.071) 3.151 16.747 ( 0.000 2.963 -1.071) 3.151 17.415 ( 0.000 -0.334 0.138) 0.361 17.415 ( 0.000 0.334 0.138) 0.361 17.697 ( 0.000 -0.458 -0.088) 0.466 17.697 ( 0.000 0.458 -0.088) 0.466 18.367 ( 0.000 -2.372 2.021) 3.116 18.367 ( 0.000 2.372 2.021) 3.116 18.764 ( 0.000 -1.720 -2.053) 2.679 18.764 ( 0.000 1.720 -2.053) 2.679 19.253 ( 0.000 -1.408 1.010) 1.733 19.253 ( 0.000 1.408 1.010) 1.733 19.363 ( 0.000 -0.497 -0.304) 0.582 19.363 ( 0.000 0.497 -0.304) 0.582 20.112 ( 0.000 -8.837 7.339) 11.487 20.112 ( 0.000 8.837 7.339) 11.487 20.342 ( 0.000 -7.826 -8.640) 11.658 20.342 ( 0.000 7.826 -8.640) 11.658 21.102 ( 0.000 -4.574 3.170) 5.565 21.102 ( 0.000 4.574 3.170) 5.565 21.193 ( 0.000 -2.487 -5.961) 6.459 21.193 ( 0.000 2.487 -5.961) 6.459 21.972 ( 0.000 -0.480 1.492) 1.567 21.972 ( 0.000 0.480 1.492) 1.567 22.526 ( 0.000 -1.439 0.382) 1.489 22.526 ( 0.000 1.439 0.382) 1.489 ======================= Grid point 189 (68/72) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 6.061 -13.901 9.316) 17.798 1.949 ( 6.061 13.901 9.316) 17.798 2.049 ( 2.567 -13.944 15.735) 21.181 2.049 ( 2.567 13.944 15.735) 21.181 2.300 ( -1.167 -10.811 -9.064) 14.156 2.300 ( -1.167 10.811 -9.064) 14.156 2.432 ( 3.881 -11.770 -12.777) 17.800 2.432 ( 3.881 11.770 -12.777) 17.800 2.937 ( 0.797 -2.074 0.882) 2.391 2.937 ( 0.797 2.074 0.882) 2.391 3.215 ( -2.844 -5.207 6.696) 8.946 3.215 ( -2.844 5.207 6.696) 8.946 3.326 ( -1.271 -4.402 -1.619) 4.859 3.326 ( -1.271 4.402 -1.619) 4.859 3.509 ( 1.020 -2.411 -0.860) 2.756 3.509 ( 1.020 2.411 -0.860) 2.756 3.596 ( 4.029 -12.717 12.349) 18.178 3.596 ( 4.029 12.717 12.349) 18.178 3.852 ( -0.246 -5.525 -5.745) 7.975 3.852 ( -0.246 5.525 -5.745) 7.975 4.025 ( -0.534 -6.229 -6.949) 9.348 4.025 ( -0.534 6.229 -6.949) 9.348 4.288 ( 3.744 -4.557 -6.329) 8.651 4.288 ( 3.744 4.557 -6.329) 8.651 4.984 ( -3.627 -4.479 6.819) 8.929 4.984 ( -3.627 4.479 6.819) 8.929 5.191 ( -2.281 -3.134 -6.655) 7.702 5.191 ( -2.281 3.134 -6.655) 7.702 5.569 ( 4.239 -2.004 0.991) 4.793 5.569 ( 4.239 2.004 0.991) 4.793 5.698 ( 0.409 -3.298 -0.502) 3.361 5.698 ( 0.409 3.298 -0.502) 3.361 5.814 ( 4.826 -3.352 2.625) 6.435 5.814 ( 4.826 3.352 2.625) 6.435 5.917 ( 2.375 -6.010 -3.740) 7.467 5.917 ( 2.375 6.010 -3.740) 7.467 6.368 ( -0.864 -3.892 4.269) 5.841 6.368 ( -0.864 3.892 4.269) 5.841 6.443 ( -5.050 -3.337 -0.669) 6.089 6.443 ( -5.050 3.337 -0.669) 6.089 7.548 ( 0.154 -1.471 0.791) 1.677 7.548 ( 0.154 1.471 0.791) 1.677 7.855 ( -2.336 -1.747 -0.789) 3.022 7.855 ( -2.336 1.747 -0.789) 3.022 8.059 ( 1.382 -0.995 0.558) 1.792 8.059 ( 1.382 0.995 0.558) 1.792 8.309 ( -1.113 -1.908 0.150) 2.214 8.309 ( -1.113 1.908 0.150) 2.214 8.831 ( -3.730 -7.815 4.707) 9.856 8.831 ( -3.730 7.815 4.707) 9.856 8.945 ( -5.079 -6.071 -5.324) 9.540 8.945 ( -5.079 6.071 -5.324) 9.540 9.699 ( 0.737 -2.606 3.994) 4.825 9.699 ( 0.737 2.606 3.994) 4.825 9.784 ( 2.512 -1.833 -3.794) 4.906 9.784 ( 2.512 1.833 -3.794) 4.906 10.146 ( 3.939 -1.289 -1.085) 4.284 10.146 ( 3.939 1.289 -1.085) 4.284 10.326 ( 3.031 -1.043 -0.382) 3.228 10.326 ( 3.031 1.043 -0.382) 3.228 11.169 ( 6.838 -2.223 0.544) 7.211 11.169 ( 6.838 2.223 0.544) 7.211 11.282 ( 6.943 -3.340 -1.790) 7.910 11.282 ( 6.943 3.340 -1.790) 7.910 12.563 ( -0.125 -2.102 5.577) 5.961 12.563 ( -0.125 2.102 5.577) 5.961 12.848 ( -0.246 -1.123 -0.437) 1.229 12.848 ( -0.246 1.123 -0.437) 1.229 13.501 ( 4.471 -3.502 2.764) 6.317 13.501 ( 4.471 3.502 2.764) 6.317 13.833 ( -7.208 -0.884 -5.342) 9.015 13.833 ( -7.208 0.884 -5.342) 9.015 14.782 ( -6.683 -3.796 6.787) 10.253 14.782 ( -6.683 3.796 6.787) 10.253 14.957 ( -4.144 -3.265 -4.706) 7.070 14.957 ( -4.144 3.265 -4.706) 7.070 15.347 ( 4.269 -0.892 1.257) 4.538 15.347 ( 4.269 0.892 1.257) 4.538 15.967 ( -6.036 -1.677 -2.427) 6.718 15.967 ( -6.036 1.677 -2.427) 6.718 16.480 ( -0.171 -2.390 0.820) 2.532 16.480 ( -0.171 2.390 0.820) 2.532 16.798 ( 4.662 -2.100 -0.315) 5.123 16.798 ( 4.662 2.100 -0.315) 5.123 17.463 ( 4.496 -1.120 0.452) 4.655 17.463 ( 4.496 1.120 0.452) 4.655 17.731 ( 3.106 -1.360 -0.881) 3.504 17.731 ( 3.106 1.360 -0.881) 3.504 18.379 ( 1.241 -2.449 1.551) 3.153 18.379 ( 1.241 2.449 1.551) 3.153 18.765 ( -0.360 -1.802 -1.453) 2.342 18.765 ( -0.360 1.802 -1.453) 2.342 19.216 ( -2.831 -1.620 0.983) 3.407 19.216 ( -2.831 1.620 0.983) 3.407 19.337 ( -2.462 -1.332 -0.331) 2.819 19.337 ( -2.462 1.332 -0.331) 2.819 20.133 ( 1.634 -7.142 6.106) 9.538 20.133 ( 1.634 7.142 6.106) 9.538 20.358 ( 1.454 -6.239 -7.140) 9.593 20.358 ( 1.454 6.239 -7.140) 9.593 21.093 ( -0.955 -4.482 3.135) 5.552 21.093 ( -0.955 4.482 3.135) 5.552 21.182 ( -1.175 -2.907 -5.717) 6.521 21.182 ( -1.175 2.907 -5.717) 6.521 21.966 ( -0.388 -0.385 1.612) 1.702 21.966 ( -0.388 0.385 1.612) 1.702 22.510 ( -1.712 -1.678 0.008) 2.397 22.510 ( -1.712 1.678 0.008) 2.397 ======================= Grid point 191 (69/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 2.047 -13.705 9.947) 17.057 2.032 ( 2.047 13.705 9.947) 17.057 2.137 ( 6.395 -10.266 8.087) 14.549 2.137 ( 6.395 10.266 8.087) 14.549 2.327 ( 4.292 -7.612 -4.509) 9.834 2.327 ( 4.292 7.612 -4.509) 9.834 2.542 ( 6.989 -7.851 -11.678) 15.711 2.542 ( 6.989 7.851 -11.678) 15.711 2.920 ( -2.787 -0.757 0.030) 2.888 2.920 ( -2.787 0.757 0.030) 2.888 3.163 ( -2.614 -4.086 5.094) 7.034 3.163 ( -2.614 4.086 5.094) 7.034 3.277 ( -4.026 -3.427 -4.124) 6.706 3.277 ( -4.026 3.427 -4.124) 6.706 3.503 ( -0.995 -2.101 -1.518) 2.776 3.503 ( -0.995 2.101 -1.518) 2.776 3.687 ( 3.386 -6.584 7.817) 10.766 3.687 ( 3.386 6.584 7.817) 10.766 3.813 ( -2.997 -0.288 -0.137) 3.014 3.813 ( -2.997 0.288 -0.137) 3.014 4.082 ( 6.921 -8.035 -0.562) 10.620 4.082 ( 6.921 8.035 -0.562) 10.620 4.403 ( 7.683 -5.635 -8.020) 12.454 4.403 ( 7.683 5.635 -8.020) 12.454 4.894 ( -4.592 -4.109 2.752) 6.748 4.894 ( -4.592 4.109 2.752) 6.748 5.146 ( -2.722 -2.896 -2.228) 4.556 5.146 ( -2.722 2.896 -2.228) 4.556 5.630 ( 0.830 -2.295 2.824) 3.732 5.630 ( 0.830 2.295 2.824) 3.732 5.703 ( -0.248 -3.782 -2.151) 4.357 5.703 ( -0.248 3.782 -2.151) 4.357 5.927 ( 6.652 -4.044 2.247) 8.102 5.927 ( 6.652 4.044 2.247) 8.102 5.982 ( 4.082 -4.814 -2.583) 6.820 5.982 ( 4.082 4.814 -2.583) 6.820 6.309 ( -4.883 -2.569 0.963) 5.601 6.309 ( -4.883 2.569 0.963) 5.601 6.368 ( -1.729 -1.955 0.658) 2.691 6.368 ( -1.729 1.955 0.658) 2.691 7.561 ( 1.413 -2.112 1.558) 2.981 7.561 ( 1.413 2.112 1.558) 2.981 7.810 ( -2.172 -1.957 -1.334) 3.213 7.810 ( -2.172 1.957 -1.334) 3.213 8.075 ( -0.099 -1.605 0.997) 1.892 8.075 ( -0.099 1.605 0.997) 1.892 8.264 ( -3.908 -2.499 -0.297) 4.648 8.264 ( -3.908 2.499 -0.297) 4.648 8.744 ( -4.613 -7.040 4.042) 9.337 8.744 ( -4.613 7.040 4.042) 9.337 8.842 ( -4.786 -6.178 -4.024) 8.790 8.842 ( -4.786 6.178 -4.024) 8.790 9.729 ( 1.781 -2.135 3.983) 4.858 9.729 ( 1.781 2.135 3.983) 4.858 9.823 ( 1.766 -1.727 -4.210) 4.881 9.823 ( 1.766 1.727 -4.210) 4.881 10.247 ( 5.889 -1.222 -0.512) 6.036 10.247 ( 5.889 1.222 -0.512) 6.036 10.395 ( 3.964 -0.947 -0.990) 4.195 10.395 ( 3.964 0.947 -0.990) 4.195 11.333 ( 9.222 -0.938 1.298) 9.360 11.333 ( 9.222 0.938 1.298) 9.360 11.439 ( 8.345 -1.899 -2.739) 8.986 11.439 ( 8.345 1.899 -2.739) 8.986 12.565 ( 0.478 -1.577 5.681) 5.915 12.565 ( 0.478 1.577 5.681) 5.915 12.841 ( -0.603 -1.227 -1.150) 1.787 12.841 ( -0.603 1.227 -1.150) 1.787 13.587 ( 0.970 -7.108 4.386) 8.408 13.587 ( 0.970 7.108 4.386) 8.408 13.693 ( -3.219 -5.489 -5.678) 8.528 13.693 ( -3.219 5.489 -5.678) 8.528 14.666 ( -4.486 -1.601 2.517) 5.387 14.666 ( -4.486 1.601 2.517) 5.387 14.881 ( -4.013 -1.313 -1.955) 4.653 14.881 ( -4.013 1.313 -1.955) 4.653 15.388 ( -0.044 -1.275 3.918) 4.120 15.388 ( -0.044 1.275 3.918) 4.120 15.799 ( -10.581 -2.624 -4.587) 11.827 15.799 ( -10.581 2.624 -4.587) 11.827 16.512 ( 3.509 -1.214 0.837) 3.806 16.512 ( 3.509 1.214 0.837) 3.806 16.894 ( 4.461 -2.036 0.425) 4.922 16.894 ( 4.461 2.036 0.425) 4.922 17.566 ( 5.710 -2.249 0.822) 6.192 17.566 ( 5.710 2.249 0.822) 6.192 17.797 ( 3.247 -2.767 -2.287) 4.840 17.797 ( 3.247 2.767 -2.287) 4.840 18.418 ( 2.855 -2.645 0.927) 4.001 18.418 ( 2.855 2.645 0.927) 4.001 18.730 ( -3.224 -1.859 -0.420) 3.745 18.730 ( -3.224 1.859 -0.420) 3.745 19.187 ( 0.189 -2.155 0.795) 2.305 19.187 ( 0.189 2.155 0.795) 2.305 19.285 ( -2.473 -1.752 -0.332) 3.049 19.285 ( -2.473 1.752 -0.332) 3.049 20.156 ( 0.571 -5.183 3.617) 6.346 20.156 ( 0.571 5.183 3.617) 6.346 20.388 ( 1.277 -4.711 -4.177) 6.424 20.388 ( 1.277 4.711 -4.177) 6.424 21.065 ( -1.988 -4.221 2.491) 5.289 21.065 ( -1.988 4.221 2.491) 5.289 21.147 ( -2.294 -3.379 -4.587) 6.142 21.147 ( -2.294 3.379 -4.587) 6.142 21.969 ( 0.997 -0.663 1.713) 2.090 21.969 ( 0.997 0.663 1.713) 2.090 22.460 ( -3.410 -1.745 -0.615) 3.879 22.460 ( -3.410 1.745 -0.615) 3.879 ======================= Grid point 193 (70/72) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 5.121 -6.149 4.686) 9.273 2.094 ( 5.121 6.149 4.686) 9.273 2.239 ( 3.779 -5.848 2.649) 7.449 2.239 ( 3.779 5.848 2.649) 7.449 2.442 ( 6.722 -2.814 2.134) 7.593 2.442 ( 6.722 2.814 2.134) 7.593 2.651 ( 1.830 -2.215 -7.620) 8.143 2.651 ( 1.830 2.215 -7.620) 8.143 2.862 ( -1.056 -1.780 -1.979) 2.864 2.862 ( -1.056 1.780 -1.979) 2.864 3.110 ( -3.313 -3.761 2.506) 5.603 3.110 ( -3.313 3.761 2.506) 5.603 3.190 ( -3.628 -2.379 -2.639) 5.078 3.190 ( -3.628 2.379 -2.639) 5.078 3.459 ( -3.583 -2.560 -2.308) 4.972 3.459 ( -3.583 2.560 -2.308) 4.972 3.701 ( -1.080 -3.804 3.618) 5.359 3.701 ( -1.080 3.804 3.618) 5.359 3.784 ( -0.337 -2.092 -0.145) 2.124 3.784 ( -0.337 2.092 -0.145) 2.124 4.261 ( 10.343 -8.387 5.239) 14.310 4.261 ( 10.343 8.387 5.239) 14.310 4.552 ( 6.694 -4.776 -5.393) 9.833 4.552 ( 6.694 4.776 -5.393) 9.833 4.833 ( -1.403 -3.463 0.411) 3.759 4.833 ( -1.403 3.463 0.411) 3.759 5.080 ( -4.027 -3.472 -1.148) 5.439 5.080 ( -4.027 3.472 -1.148) 5.439 5.608 ( -2.154 -1.570 3.404) 4.323 5.608 ( -2.154 1.570 3.404) 4.323 5.672 ( -2.795 -4.450 -2.462) 5.803 5.672 ( -2.795 4.450 -2.462) 5.803 6.029 ( 2.789 -3.624 1.447) 4.796 6.029 ( 2.789 3.624 1.447) 4.796 6.065 ( 3.808 -4.522 -1.712) 6.154 6.065 ( 3.808 4.522 -1.712) 6.154 6.261 ( 0.754 -1.328 -0.044) 1.528 6.261 ( 0.754 1.328 -0.044) 1.528 6.350 ( -0.023 -1.359 0.553) 1.467 6.350 ( -0.023 1.359 0.553) 1.467 7.605 ( 3.056 -2.565 2.078) 4.498 7.605 ( 3.056 2.565 2.078) 4.498 7.776 ( -1.345 -2.284 -1.598) 3.095 7.776 ( -1.345 2.284 -1.598) 3.095 8.048 ( -2.674 -2.605 1.925) 4.200 8.048 ( -2.674 2.605 1.925) 4.200 8.153 ( -7.140 -3.174 -1.216) 7.908 8.153 ( -7.140 3.174 -1.216) 7.908 8.677 ( -1.961 -5.738 3.183) 6.848 8.677 ( -1.961 5.738 3.183) 6.848 8.777 ( -2.019 -4.605 -3.280) 6.004 8.777 ( -2.019 4.605 -3.280) 6.004 9.758 ( 1.353 -1.468 2.019) 2.839 9.758 ( 1.353 1.468 2.019) 2.839 9.850 ( 0.750 -1.543 -2.155) 2.755 9.850 ( 0.750 1.543 -2.155) 2.755 10.353 ( 4.827 -1.175 1.689) 5.247 10.353 ( 4.827 1.175 1.689) 5.247 10.474 ( 4.009 -0.680 -3.060) 5.089 10.474 ( 4.009 0.680 -3.060) 5.089 11.491 ( 6.556 -1.433 2.318) 7.100 11.491 ( 6.556 1.433 2.318) 7.100 11.576 ( 5.532 -1.788 -3.586) 6.831 11.576 ( 5.532 1.788 -3.586) 6.831 12.585 ( 1.610 -1.104 5.081) 5.443 12.585 ( 1.610 1.104 5.081) 5.443 12.820 ( -1.783 -2.051 -1.681) 3.196 12.820 ( -1.783 2.051 -1.681) 3.196 13.523 ( -2.221 -2.706 -0.269) 3.511 13.523 ( -2.221 2.706 -0.269) 3.511 13.742 ( 3.042 -3.325 0.151) 4.510 13.742 ( 3.042 3.325 0.151) 4.510 14.616 ( -0.790 -1.188 0.948) 1.713 14.616 ( -0.790 1.188 0.948) 1.713 14.807 ( -3.332 -1.055 -1.183) 3.690 14.807 ( -3.332 1.055 -1.183) 3.690 15.358 ( -2.615 -2.206 6.061) 6.960 15.358 ( -2.615 2.206 6.061) 6.960 15.596 ( -9.669 -2.920 -6.631) 12.082 15.596 ( -9.669 2.920 -6.631) 12.082 16.603 ( 5.573 -1.196 1.568) 5.911 16.603 ( 5.573 1.196 1.568) 5.911 16.948 ( 0.936 -2.832 -0.093) 2.984 16.948 ( 0.936 2.832 -0.093) 2.984 17.671 ( 5.028 -2.758 1.048) 5.830 17.671 ( 5.028 2.758 1.048) 5.830 17.844 ( 1.436 -3.931 -2.940) 5.114 17.844 ( 1.436 3.931 -2.940) 5.114 18.488 ( 4.225 -2.504 0.782) 4.973 18.488 ( 4.225 2.504 0.782) 4.974 18.666 ( -2.720 -1.973 0.042) 3.360 18.666 ( -2.720 1.973 0.042) 3.360 19.201 ( 0.414 -2.871 1.845) 3.438 19.201 ( 0.414 2.871 1.845) 3.438 19.252 ( -0.896 -2.063 -1.572) 2.744 19.252 ( -0.896 2.063 -1.572) 2.744 20.163 ( 0.553 -4.780 1.793) 5.135 20.163 ( 0.553 4.780 1.793) 5.135 20.393 ( -1.058 -4.546 -2.048) 5.097 20.393 ( -1.058 4.546 -2.048) 5.097 21.022 ( -2.132 -2.898 0.792) 3.684 21.022 ( -2.132 2.898 0.792) 3.684 21.102 ( -2.284 -2.043 -2.425) 3.908 21.102 ( -2.284 2.043 -2.425) 3.908 22.007 ( 2.865 -0.900 1.747) 3.474 22.007 ( 2.865 0.900 1.747) 3.474 22.381 ( -4.681 -1.544 -1.024) 5.034 22.381 ( -4.681 1.544 -1.024) 5.034 ======================= Grid point 195 (71/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 5.383 -1.960 3.008) 6.471 2.211 ( 5.383 1.960 3.008) 6.471 2.300 ( 3.524 -2.648 -0.453) 4.432 2.300 ( 3.524 2.648 -0.453) 4.432 2.541 ( 2.150 -2.274 1.539) 3.487 2.541 ( 2.150 2.274 1.539) 3.487 2.607 ( -3.004 -3.122 -4.120) 5.979 2.607 ( -3.004 3.122 -4.120) 5.979 2.880 ( 0.680 -2.142 -1.088) 2.497 2.880 ( 0.680 2.142 -1.088) 2.497 3.006 ( -6.667 -2.010 -0.114) 6.964 3.006 ( -6.667 2.010 -0.114) 6.964 3.213 ( 5.765 -2.227 0.836) 6.236 3.213 ( 5.765 2.227 0.836) 6.236 3.400 ( -1.929 -2.577 -2.132) 3.861 3.400 ( -1.929 2.577 -2.132) 3.861 3.671 ( -1.576 -4.531 1.764) 5.112 3.671 ( -1.576 4.531 1.764) 5.112 3.757 ( -3.029 -2.344 -1.261) 4.033 3.757 ( -3.029 2.344 -1.261) 4.033 4.440 ( 7.456 -4.976 5.992) 10.783 4.440 ( 7.456 4.976 5.992) 10.783 4.627 ( 0.945 -2.168 -1.519) 2.810 4.627 ( 0.945 2.168 -1.519) 2.810 4.846 ( 2.497 -4.726 -1.109) 5.459 4.846 ( 2.497 4.726 -1.109) 5.459 5.002 ( -3.720 -3.293 -1.538) 5.200 5.002 ( -3.720 3.293 -1.538) 5.200 5.576 ( -0.705 -1.146 2.063) 2.463 5.576 ( -0.705 1.146 2.063) 2.463 5.618 ( -2.373 -3.161 -1.318) 4.167 5.618 ( -2.373 3.161 -1.318) 4.167 6.049 ( 0.042 -3.942 1.532) 4.229 6.049 ( 0.042 3.942 1.532) 4.229 6.097 ( -0.005 -4.472 -3.214) 5.508 6.097 ( -0.005 4.472 -3.214) 5.508 6.318 ( 3.706 -1.194 0.682) 3.953 6.318 ( 3.706 1.194 0.682) 3.953 6.366 ( 1.121 -1.697 0.619) 2.126 6.366 ( 1.121 1.697 0.619) 2.126 7.673 ( 3.627 -3.455 2.110) 5.435 7.673 ( 3.627 3.455 2.110) 5.435 7.756 ( -0.710 -3.319 -1.266) 3.622 7.756 ( -0.710 3.319 -1.266) 3.622 7.978 ( -4.029 -3.298 2.559) 5.801 7.978 ( -4.029 3.298 2.559) 5.801 8.024 ( -5.449 -3.362 -1.617) 6.603 8.024 ( -5.449 3.362 -1.617) 6.603 8.669 ( 0.866 -4.117 1.612) 4.505 8.669 ( 0.866 4.117 1.612) 4.505 8.748 ( -1.332 -3.187 -2.354) 4.180 8.748 ( -1.332 3.187 -2.354) 4.180 9.787 ( 1.651 -1.170 0.820) 2.183 9.787 ( 1.651 1.170 0.820) 2.183 9.848 ( -0.909 -1.319 -0.858) 1.817 9.848 ( -0.909 1.319 -0.858) 1.817 10.427 ( 2.714 -0.900 3.778) 4.738 10.427 ( 2.714 0.900 3.778) 4.738 10.538 ( 2.443 -0.390 -4.967) 5.548 10.538 ( 2.443 0.390 -4.967) 5.548 11.580 ( 2.765 -1.264 2.744) 4.095 11.580 ( 2.765 1.264 2.744) 4.095 11.649 ( 2.136 -1.358 -3.595) 4.396 11.649 ( 2.136 1.358 -3.595) 4.396 12.625 ( 2.335 -0.914 4.178) 4.873 12.625 ( 2.335 0.914 4.178) 4.873 12.772 ( -2.903 -2.080 -1.828) 4.012 12.772 ( -2.903 2.080 -1.828) 4.012 13.549 ( 4.378 -2.207 -0.343) 4.915 13.549 ( 4.378 2.207 -0.343) 4.915 13.748 ( -2.546 -2.444 0.611) 3.581 13.748 ( -2.546 2.444 0.611) 3.581 14.629 ( 1.915 -0.693 1.291) 2.411 14.629 ( 1.915 0.693 1.291) 2.411 14.755 ( -2.329 -0.805 -1.323) 2.797 14.755 ( -2.329 0.805 -1.323) 2.797 15.308 ( -2.040 -2.110 5.663) 6.378 15.308 ( -2.040 2.110 5.663) 6.378 15.444 ( -5.851 -2.308 -6.314) 8.912 15.444 ( -5.851 2.308 -6.314) 8.912 16.712 ( 5.408 -1.393 2.891) 6.289 16.712 ( 5.408 1.393 2.891) 6.289 16.932 ( -2.303 -2.604 -1.764) 3.898 16.932 ( -2.303 2.604 -1.764) 3.898 17.757 ( 3.767 -3.397 0.519) 5.099 17.757 ( 3.767 3.397 0.519) 5.099 17.850 ( -0.730 -4.545 -2.239) 5.119 17.850 ( -0.730 4.545 -2.239) 5.119 18.568 ( 3.659 -2.986 1.098) 4.849 18.568 ( 3.659 2.986 1.098) 4.849 18.637 ( -0.377 -3.302 0.115) 3.326 18.637 ( -0.377 3.302 0.115) 3.326 19.198 ( -0.205 -2.160 1.582) 2.685 19.198 ( -0.205 2.160 1.582) 2.685 19.238 ( -1.075 -1.688 -1.848) 2.724 19.238 ( -1.075 1.688 -1.848) 2.724 20.191 ( 2.571 -4.637 0.790) 5.361 20.191 ( 2.571 4.637 0.790) 5.361 20.344 ( -3.781 -4.624 -0.936) 6.046 20.344 ( -3.781 4.624 -0.936) 6.046 20.998 ( -0.123 -1.525 -0.034) 1.531 20.998 ( -0.123 1.525 -0.034) 1.531 21.059 ( -2.125 -0.736 -1.248) 2.572 21.059 ( -2.125 0.736 -1.248) 2.572 22.074 ( 3.917 -0.857 2.144) 4.547 22.074 ( 3.917 0.857 2.144) 4.547 22.286 ( -4.974 -1.247 -1.562) 5.360 22.286 ( -4.974 1.247 -1.562) 5.360 ======================= Grid point 197 (72/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.000 -0.000 4.381) 4.381 2.258 ( 0.000 0.000 4.381) 4.381 2.355 ( 0.000 -0.000 -3.659) 3.659 2.355 ( 0.000 0.000 -3.659) 3.659 2.561 ( -0.000 -0.000 -1.878) 1.878 2.561 ( 0.000 -0.000 -1.878) 1.878 2.568 ( -0.000 -0.000 -1.594) 1.594 2.568 ( 0.000 0.000 -1.594) 1.594 2.893 ( -0.000 -0.000 1.136) 1.136 2.893 ( 0.000 0.000 1.136) 1.136 2.915 ( 0.000 -0.000 -0.429) 0.429 2.915 ( 0.000 0.000 -0.429) 0.429 3.311 ( 0.000 -0.000 3.601) 3.601 3.311 ( 0.000 0.000 3.601) 3.601 3.371 ( 0.000 -0.000 -1.932) 1.932 3.371 ( 0.000 0.000 -1.932) 1.932 3.664 ( -0.000 0.000 0.395) 0.395 3.664 ( 0.000 0.000 0.395) 0.395 3.699 ( 0.000 -0.000 -2.635) 2.635 3.699 ( 0.000 -0.000 -2.635) 2.635 4.525 ( 0.000 -0.000 6.309) 6.309 4.525 ( 0.000 0.000 6.309) 6.309 4.618 ( -0.000 0.000 -1.446) 1.446 4.618 ( 0.000 0.000 -1.446) 1.446 4.893 ( 0.000 -0.000 1.203) 1.203 4.893 ( 0.000 0.000 1.203) 1.203 4.950 ( 0.000 -0.000 -3.517) 3.517 4.950 ( -0.000 0.000 -3.517) 3.517 5.581 ( 0.000 -0.000 0.487) 0.487 5.581 ( 0.000 0.000 0.487) 0.487 5.585 ( -0.000 -0.000 0.121) 0.121 5.585 ( -0.000 0.000 0.121) 0.121 6.048 ( 0.000 -0.000 1.103) 1.103 6.048 ( 0.000 0.000 1.103) 1.103 6.093 ( 0.000 0.000 -3.404) 3.404 6.093 ( 0.000 0.000 -3.404) 3.404 6.366 ( 0.000 -0.000 1.028) 1.028 6.366 ( 0.000 0.000 1.028) 1.028 6.371 ( 0.000 -0.000 0.566) 0.566 6.371 ( 0.000 0.000 0.566) 0.566 7.720 ( -0.000 -0.000 1.655) 1.655 7.720 ( 0.000 -0.000 1.655) 1.655 7.745 ( 0.000 0.000 -0.341) 0.341 7.745 ( 0.000 0.000 -0.341) 0.341 7.934 ( 0.000 -0.000 1.816) 1.816 7.934 ( 0.000 0.000 1.816) 1.816 7.963 ( 0.000 -0.000 -1.035) 1.035 7.963 ( 0.000 0.000 -1.035) 1.035 8.689 ( 0.000 -0.000 1.319) 1.319 8.689 ( 0.000 0.000 1.319) 1.319 8.727 ( 0.000 -0.000 -2.391) 2.391 8.727 ( 0.000 0.000 -2.391) 2.391 9.818 ( -0.000 -0.000 0.199) 0.199 9.818 ( 0.000 0.000 0.199) 0.199 9.823 ( -0.000 -0.000 -0.170) 0.170 9.823 ( -0.000 0.000 -0.170) 0.170 10.454 ( 0.000 0.000 4.545) 4.545 10.454 ( 0.000 0.000 4.545) 4.545 10.562 ( 0.000 -0.000 -5.691) 5.691 10.562 ( 0.000 0.000 -5.691) 5.691 11.605 ( 0.000 -0.000 2.751) 2.751 11.605 ( 0.000 0.000 2.751) 2.751 11.668 ( 0.000 -0.000 -3.396) 3.396 11.668 ( 0.000 0.000 -3.396) 3.396 12.658 ( -0.000 0.000 4.585) 4.585 12.658 ( 0.000 0.000 4.585) 4.585 12.732 ( 0.000 -0.000 -2.627) 2.627 12.732 ( 0.000 0.000 -2.627) 2.627 13.651 ( -0.000 -0.000 0.767) 0.767 13.651 ( -0.000 0.000 0.767) 0.767 13.665 ( 0.000 -0.000 -0.551) 0.551 13.665 ( 0.000 0.000 -0.551) 0.551 14.663 ( 0.000 0.000 2.856) 2.856 14.663 ( 0.000 0.000 2.856) 2.856 14.720 ( -0.000 0.000 -2.400) 2.400 14.720 ( 0.000 0.000 -2.400) 2.400 15.290 ( 0.000 0.000 3.918) 3.918 15.290 ( 0.000 0.000 3.918) 3.918 15.383 ( 0.000 0.000 -4.813) 4.813 15.383 ( 0.000 0.000 -4.813) 4.813 16.781 ( -0.000 -0.000 5.689) 5.689 16.781 ( 0.000 0.000 5.689) 5.689 16.892 ( 0.000 0.000 -4.760) 4.760 16.892 ( 0.000 0.000 -4.760) 4.760 17.810 ( 0.000 -0.000 -0.143) 0.143 17.810 ( 0.000 0.000 -0.143) 0.143 17.825 ( -0.000 -0.000 -1.484) 1.484 17.825 ( 0.000 0.000 -1.484) 1.484 18.609 ( -0.000 -0.000 2.111) 2.111 18.609 ( 0.000 0.000 2.111) 2.111 18.636 ( 0.000 -0.000 -0.540) 0.540 18.636 ( 0.000 0.000 -0.540) 0.540 19.203 ( 0.000 -0.000 0.241) 0.241 19.203 ( 0.000 0.000 0.241) 0.241 19.216 ( -0.000 -0.000 -0.961) 0.961 19.216 ( 0.000 0.000 -0.961) 0.961 20.251 ( -0.000 0.000 0.853) 0.853 20.251 ( 0.000 0.000 0.853) 0.853 20.271 ( -0.000 -0.000 -0.982) 0.982 20.271 ( 0.000 -0.000 -0.982) 0.982 21.007 ( 0.000 -0.000 0.488) 0.488 21.007 ( 0.000 0.000 0.488) 0.488 21.030 ( 0.000 0.000 -1.615) 1.615 21.030 ( 0.000 0.000 -1.615) 1.615 22.133 ( 0.000 -0.000 4.252) 4.252 22.133 ( 0.000 0.000 4.252) 4.252 22.217 ( 0.000 -0.000 -3.700) 3.700 22.217 ( 0.000 0.000 -3.700) 3.700 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32400 10.0 2822.418 3070.282 2513.718 0.000 0.000 0.000 3/32400 20.0 414.983 403.406 412.072 0.000 0.000 0.000 3/32400 30.0 143.392 133.675 141.897 0.000 0.000 0.000 3/32400 40.0 72.628 66.620 71.870 0.000 0.000 0.000 3/32400 50.0 45.258 41.229 44.823 0.000 0.000 0.000 3/32400 60.0 31.853 28.945 31.578 0.000 0.000 0.000 3/32400 70.0 24.199 21.983 24.009 0.000 0.000 0.000 3/32400 80.0 19.351 17.593 19.210 0.000 0.000 0.000 3/32400 90.0 16.048 14.607 15.934 0.000 0.000 0.000 3/32400 100.0 13.670 12.461 13.573 0.000 0.000 0.000 3/32400 110.0 11.887 10.851 11.801 0.000 0.000 0.000 3/32400 120.0 10.504 9.603 10.426 0.000 0.000 0.000 3/32400 130.0 9.403 8.609 9.331 0.000 0.000 0.000 3/32400 140.0 8.508 7.800 8.441 0.000 0.000 0.000 3/32400 150.0 7.766 7.130 7.703 0.000 0.000 0.000 3/32400 160.0 7.142 6.566 7.082 0.000 0.000 0.000 3/32400 170.0 6.611 6.085 6.554 0.000 0.000 0.000 3/32400 180.0 6.152 5.671 6.099 0.000 0.000 0.000 3/32400 190.0 5.754 5.310 5.703 0.000 0.000 0.000 3/32400 200.0 5.403 4.993 5.355 0.000 0.000 0.000 3/32400 210.0 5.094 4.713 5.048 0.000 0.000 0.000 3/32400 220.0 4.818 4.463 4.774 0.000 0.000 0.000 3/32400 230.0 4.571 4.239 4.529 0.000 0.000 0.000 3/32400 240.0 4.348 4.037 4.308 0.000 0.000 0.000 3/32400 250.0 4.147 3.854 4.108 0.000 0.000 0.000 3/32400 260.0 3.963 3.687 3.926 0.000 0.000 0.000 3/32400 270.0 3.795 3.535 3.760 0.000 0.000 0.000 3/32400 280.0 3.641 3.395 3.608 0.000 0.000 0.000 3/32400 290.0 3.500 3.266 3.468 0.000 0.000 0.000 3/32400 300.0 3.369 3.146 3.338 0.000 0.000 0.000 3/32400 310.0 3.248 3.036 3.218 0.000 0.000 0.000 3/32400 320.0 3.135 2.933 3.107 0.000 0.000 0.000 3/32400 330.0 3.031 2.837 3.003 0.000 0.000 0.000 3/32400 340.0 2.933 2.747 2.906 0.000 0.000 0.000 3/32400 350.0 2.841 2.663 2.815 0.000 0.000 0.000 3/32400 360.0 2.755 2.584 2.730 0.000 0.000 0.000 3/32400 370.0 2.674 2.510 2.650 0.000 0.000 0.000 3/32400 380.0 2.598 2.440 2.575 0.000 0.000 0.000 3/32400 390.0 2.526 2.373 2.504 0.000 0.000 0.000 3/32400 400.0 2.458 2.311 2.436 0.000 0.000 0.000 3/32400 410.0 2.394 2.252 2.373 0.000 0.000 0.000 3/32400 420.0 2.333 2.195 2.312 0.000 0.000 0.000 3/32400 430.0 2.275 2.142 2.255 0.000 0.000 0.000 3/32400 440.0 2.220 2.091 2.201 0.000 0.000 0.000 3/32400 450.0 2.168 2.043 2.149 0.000 0.000 0.000 3/32400 460.0 2.118 1.996 2.100 0.000 0.000 0.000 3/32400 470.0 2.071 1.952 2.052 0.000 0.000 0.000 3/32400 480.0 2.025 1.910 2.007 0.000 0.000 0.000 3/32400 490.0 1.982 1.870 1.964 0.000 0.000 0.000 3/32400 500.0 1.940 1.831 1.923 0.000 0.000 0.000 3/32400 510.0 1.900 1.794 1.884 0.000 0.000 0.000 3/32400 520.0 1.862 1.758 1.846 0.000 0.000 0.000 3/32400 530.0 1.825 1.724 1.810 0.000 0.000 0.000 3/32400 540.0 1.790 1.691 1.775 0.000 0.000 0.000 3/32400 550.0 1.756 1.660 1.741 0.000 0.000 0.000 3/32400 560.0 1.724 1.629 1.709 0.000 0.000 0.000 3/32400 570.0 1.692 1.600 1.678 0.000 0.000 0.000 3/32400 580.0 1.662 1.572 1.648 0.000 0.000 0.000 3/32400 590.0 1.633 1.545 1.619 0.000 0.000 0.000 3/32400 600.0 1.605 1.518 1.591 0.000 0.000 0.000 3/32400 610.0 1.577 1.493 1.564 0.000 0.000 0.000 3/32400 620.0 1.551 1.468 1.538 0.000 0.000 0.000 3/32400 630.0 1.526 1.444 1.513 0.000 0.000 0.000 3/32400 640.0 1.501 1.421 1.488 0.000 0.000 0.000 3/32400 650.0 1.477 1.399 1.465 0.000 0.000 0.000 3/32400 660.0 1.454 1.377 1.442 0.000 0.000 0.000 3/32400 670.0 1.432 1.357 1.420 0.000 0.000 0.000 3/32400 680.0 1.410 1.336 1.398 0.000 0.000 0.000 3/32400 690.0 1.389 1.317 1.378 0.000 0.000 0.000 3/32400 700.0 1.369 1.297 1.357 0.000 0.000 0.000 3/32400 710.0 1.349 1.279 1.338 0.000 0.000 0.000 3/32400 720.0 1.330 1.261 1.319 0.000 0.000 0.000 3/32400 730.0 1.311 1.243 1.300 0.000 0.000 0.000 3/32400 740.0 1.293 1.226 1.282 0.000 0.000 0.000 3/32400 750.0 1.276 1.210 1.265 0.000 0.000 0.000 3/32400 760.0 1.258 1.194 1.248 0.000 0.000 0.000 3/32400 770.0 1.242 1.178 1.231 0.000 0.000 0.000 3/32400 780.0 1.225 1.163 1.215 0.000 0.000 0.000 3/32400 790.0 1.210 1.148 1.200 0.000 0.000 0.000 3/32400 800.0 1.194 1.133 1.184 0.000 0.000 0.000 3/32400 810.0 1.179 1.119 1.169 0.000 0.000 0.000 3/32400 820.0 1.165 1.105 1.155 0.000 0.000 0.000 3/32400 830.0 1.150 1.092 1.141 0.000 0.000 0.000 3/32400 840.0 1.136 1.079 1.127 0.000 0.000 0.000 3/32400 850.0 1.123 1.066 1.113 0.000 0.000 0.000 3/32400 860.0 1.109 1.053 1.100 0.000 0.000 0.000 3/32400 870.0 1.096 1.041 1.087 0.000 0.000 0.000 3/32400 880.0 1.084 1.029 1.075 0.000 0.000 0.000 3/32400 890.0 1.071 1.017 1.063 0.000 0.000 0.000 3/32400 900.0 1.059 1.006 1.051 0.000 0.000 0.000 3/32400 910.0 1.048 0.995 1.039 0.000 0.000 0.000 3/32400 920.0 1.036 0.984 1.027 0.000 0.000 0.000 3/32400 930.0 1.025 0.973 1.016 0.000 0.000 0.000 3/32400 940.0 1.014 0.963 1.005 0.000 0.000 0.000 3/32400 950.0 1.003 0.953 0.994 0.000 0.000 0.000 3/32400 960.0 0.992 0.943 0.984 0.000 0.000 0.000 3/32400 970.0 0.982 0.933 0.974 0.000 0.000 0.000 3/32400 980.0 0.972 0.923 0.964 0.000 0.000 0.000 3/32400 990.0 0.962 0.914 0.954 0.000 0.000 0.000 3/32400 1000.0 0.952 0.905 0.944 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m1065.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:02:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|