----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:54:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.329270130514183 0.000000000000000 0.000000000000000 b 0.000000000000000 12.114283450000000 0.000000000000000 c -2.521317639843263 0.000000000000000 7.450784684866704 Atomic positions (fractional): *1 La 0.02495286300261 0.49358266858777 0.42011693343795 138.905 2 La 0.97504713699739 0.99358266858777 0.57988306656205 138.905 *3 La 0.43746473905553 0.74894016591846 0.30004521467113 138.905 *4 La 0.29285359635632 0.47066130316472 0.97140188264154 138.905 5 La 0.56253526094447 0.24894016591845 0.69995478532887 138.905 6 La 0.70714640364368 0.97066130316472 0.02859811735846 138.905 *7 Si 0.21528222510933 0.15663006959127 0.93399526551968 28.085 *8 Si 0.61053138202810 0.54394814008736 0.68295105808445 28.085 9 Si 0.78471777489067 0.65663006959127 0.06600473448032 28.085 10 Si 0.38946861797190 0.04394814008736 0.31704894191555 28.085 *11 Cl 0.15604100523042 0.87221848091485 0.94110462070672 35.453 *12 Cl 0.98795014385403 0.74714160306032 0.50539924658429 35.453 13 Cl 0.84395899476958 0.37221848091485 0.05889537929328 35.453 14 Cl 0.01204985614597 0.24714160306032 0.49460075341570 35.453 *15 Cl 0.53954928706815 0.87561792422967 0.66398268877912 35.453 16 Cl 0.46045071293185 0.37561792422967 0.33601731122088 35.453 *17 O 0.90676700712406 0.50436435356131 0.69279612431402 15.999 *18 O 0.55770251208586 0.10627539624223 0.49983366595497 15.999 19 O 0.44229748791414 0.60627539624223 0.50016633404503 15.999 20 O 0.09323299287594 0.00436435356131 0.30720387568598 15.999 *21 O 0.72601718059198 0.78416992356448 0.09766179477937 15.999 *22 O 0.58732688798207 0.94143410927016 0.30444456537549 15.999 *23 O 0.09470663238147 0.61868671989020 0.12601890492424 15.999 *24 O 0.38446531147723 0.11652012299552 0.13819781556522 15.999 *25 O 0.64502717331452 0.58790897892166 0.19381415934253 15.999 26 O 0.90529336761853 0.11868671989020 0.87398109507577 15.999 27 O 0.35497282668548 0.08790897892166 0.80618584065747 15.999 28 O 0.41267311201793 0.44143410927016 0.69555543462451 15.999 29 O 0.61553468852277 0.61652012299552 0.86180218443478 15.999 30 O 0.27398281940801 0.28416992356448 0.90233820522063 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.329270130514183 0.000000000000000 0.000000000000000 b 0.000000000000000 12.114283450000000 0.000000000000000 c -2.521317639843263 0.000000000000000 7.450784684866704 Atomic positions (fractional): *1 La 0.02495286300261 0.49358266858777 0.42011693343795 138.905 > 1 2 La 0.97504713699739 0.99358266858777 0.57988306656205 138.905 > 2 *3 La 0.43746473905553 0.74894016591846 0.30004521467113 138.905 > 3 *4 La 0.29285359635632 0.47066130316472 0.97140188264154 138.905 > 4 5 La 0.56253526094447 0.24894016591845 0.69995478532887 138.905 > 5 6 La 0.70714640364368 0.97066130316472 0.02859811735846 138.905 > 6 *7 Si 0.21528222510933 0.15663006959127 0.93399526551968 28.085 > 7 *8 Si 0.61053138202810 0.54394814008736 0.68295105808445 28.085 > 8 9 Si 0.78471777489067 0.65663006959127 0.06600473448032 28.085 > 9 10 Si 0.38946861797190 0.04394814008736 0.31704894191555 28.085 > 10 *11 Cl 0.15604100523042 0.87221848091485 0.94110462070672 35.453 > 11 *12 Cl 0.98795014385403 0.74714160306032 0.50539924658429 35.453 > 12 13 Cl 0.84395899476958 0.37221848091485 0.05889537929328 35.453 > 13 14 Cl 0.01204985614597 0.24714160306032 0.49460075341570 35.453 > 14 *15 Cl 0.53954928706815 0.87561792422967 0.66398268877912 35.453 > 15 16 Cl 0.46045071293185 0.37561792422967 0.33601731122088 35.453 > 16 *17 O 0.90676700712406 0.50436435356131 0.69279612431402 15.999 > 17 *18 O 0.55770251208586 0.10627539624223 0.49983366595497 15.999 > 18 19 O 0.44229748791414 0.60627539624223 0.50016633404503 15.999 > 19 20 O 0.09323299287594 0.00436435356131 0.30720387568598 15.999 > 20 *21 O 0.72601718059198 0.78416992356448 0.09766179477937 15.999 > 21 *22 O 0.58732688798207 0.94143410927016 0.30444456537549 15.999 > 22 *23 O 0.09470663238147 0.61868671989020 0.12601890492424 15.999 > 23 *24 O 0.38446531147723 0.11652012299552 0.13819781556522 15.999 > 24 *25 O 0.64502717331452 0.58790897892166 0.19381415934253 15.999 > 25 26 O 0.90529336761853 0.11868671989020 0.87398109507577 15.999 > 26 27 O 0.35497282668548 0.08790897892166 0.80618584065747 15.999 > 27 28 O 0.41267311201793 0.44143410927016 0.69555543462451 15.999 > 28 29 O 0.61553468852277 0.61652012299552 0.86180218443478 15.999 > 29 30 O 0.27398281940801 0.28416992356448 0.90233820522063 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.658540261028365 0.000000000000000 0.000000000000000 b 0.000000000000000 12.114283450000000 0.000000000000000 c -5.042635279686526 0.000000000000000 14.901569369733409 Atomic positions (fractional): *1 La 0.01247643150131 0.49358266858777 0.21005846671898 138.905 > 1 2 La 0.51247643150131 0.49358266858777 0.21005846671898 138.905 > 1 3 La 0.01247643150131 0.49358266858777 0.71005846671898 138.905 > 1 4 La 0.51247643150131 0.49358266858777 0.71005846671898 138.905 > 1 5 La 0.48752356849869 0.99358266858777 0.28994153328102 138.905 > 2 6 La 0.98752356849869 0.99358266858777 0.28994153328102 138.905 > 2 7 La 0.48752356849869 0.99358266858777 0.78994153328102 138.905 > 2 8 La 0.98752356849869 0.99358266858777 0.78994153328102 138.905 > 2 *9 La 0.21873236952776 0.74894016591846 0.15002260733556 138.905 > 3 10 La 0.71873236952776 0.74894016591846 0.15002260733556 138.905 > 3 11 La 0.21873236952776 0.74894016591846 0.65002260733556 138.905 > 3 12 La 0.71873236952776 0.74894016591846 0.65002260733556 138.905 > 3 *13 La 0.14642679817816 0.47066130316472 0.48570094132077 138.905 > 4 14 La 0.64642679817816 0.47066130316472 0.48570094132077 138.905 > 4 15 La 0.14642679817816 0.47066130316472 0.98570094132077 138.905 > 4 16 La 0.64642679817816 0.47066130316472 0.98570094132077 138.905 > 4 17 La 0.28126763047224 0.24894016591845 0.34997739266444 138.905 > 5 18 La 0.78126763047224 0.24894016591845 0.34997739266444 138.905 > 5 19 La 0.28126763047224 0.24894016591845 0.84997739266444 138.905 > 5 20 La 0.78126763047224 0.24894016591845 0.84997739266444 138.905 > 5 21 La 0.35357320182184 0.97066130316472 0.01429905867923 138.905 > 6 22 La 0.85357320182184 0.97066130316472 0.01429905867923 138.905 > 6 23 La 0.35357320182184 0.97066130316472 0.51429905867923 138.905 > 6 24 La 0.85357320182184 0.97066130316472 0.51429905867923 138.905 > 6 *25 Si 0.10764111255466 0.15663006959127 0.46699763275984 28.085 > 7 26 Si 0.60764111255466 0.15663006959127 0.46699763275984 28.085 > 7 27 Si 0.10764111255466 0.15663006959127 0.96699763275984 28.085 > 7 28 Si 0.60764111255466 0.15663006959127 0.96699763275984 28.085 > 7 *29 Si 0.30526569101405 0.54394814008736 0.34147552904222 28.085 > 8 30 Si 0.80526569101405 0.54394814008736 0.34147552904222 28.085 > 8 31 Si 0.30526569101405 0.54394814008736 0.84147552904222 28.085 > 8 32 Si 0.80526569101405 0.54394814008736 0.84147552904222 28.085 > 8 33 Si 0.39235888744534 0.65663006959127 0.03300236724016 28.085 > 9 34 Si 0.89235888744534 0.65663006959127 0.03300236724016 28.085 > 9 35 Si 0.39235888744534 0.65663006959127 0.53300236724016 28.085 > 9 36 Si 0.89235888744534 0.65663006959127 0.53300236724016 28.085 > 9 37 Si 0.19473430898595 0.04394814008736 0.15852447095778 28.085 > 10 38 Si 0.69473430898595 0.04394814008736 0.15852447095778 28.085 > 10 39 Si 0.19473430898595 0.04394814008736 0.65852447095778 28.085 > 10 40 Si 0.69473430898595 0.04394814008736 0.65852447095778 28.085 > 10 *41 Cl 0.07802050261521 0.87221848091485 0.47055231035336 35.453 > 11 42 Cl 0.57802050261521 0.87221848091485 0.47055231035336 35.453 > 11 43 Cl 0.07802050261521 0.87221848091485 0.97055231035336 35.453 > 11 44 Cl 0.57802050261521 0.87221848091485 0.97055231035336 35.453 > 11 *45 Cl 0.49397507192701 0.74714160306032 0.25269962329215 35.453 > 12 46 Cl 0.99397507192701 0.74714160306032 0.25269962329215 35.453 > 12 47 Cl 0.49397507192701 0.74714160306032 0.75269962329215 35.453 > 12 48 Cl 0.99397507192701 0.74714160306032 0.75269962329215 35.453 > 12 49 Cl 0.42197949738479 0.37221848091485 0.02944768964664 35.453 > 13 50 Cl 0.92197949738479 0.37221848091485 0.02944768964664 35.453 > 13 51 Cl 0.42197949738479 0.37221848091485 0.52944768964664 35.453 > 13 52 Cl 0.92197949738479 0.37221848091485 0.52944768964664 35.453 > 13 53 Cl 0.00602492807299 0.24714160306032 0.24730037670785 35.453 > 14 54 Cl 0.50602492807299 0.24714160306032 0.24730037670785 35.453 > 14 55 Cl 0.00602492807299 0.24714160306032 0.74730037670785 35.453 > 14 56 Cl 0.50602492807299 0.24714160306032 0.74730037670785 35.453 > 14 *57 Cl 0.26977464353407 0.87561792422967 0.33199134438956 35.453 > 15 58 Cl 0.76977464353407 0.87561792422967 0.33199134438956 35.453 > 15 59 Cl 0.26977464353407 0.87561792422967 0.83199134438956 35.453 > 15 60 Cl 0.76977464353407 0.87561792422967 0.83199134438956 35.453 > 15 61 Cl 0.23022535646593 0.37561792422967 0.16800865561044 35.453 > 16 62 Cl 0.73022535646593 0.37561792422967 0.16800865561044 35.453 > 16 63 Cl 0.23022535646593 0.37561792422967 0.66800865561044 35.453 > 16 64 Cl 0.73022535646593 0.37561792422967 0.66800865561044 35.453 > 16 *65 O 0.45338350356203 0.50436435356131 0.34639806215701 15.999 > 17 66 O 0.95338350356203 0.50436435356131 0.34639806215701 15.999 > 17 67 O 0.45338350356203 0.50436435356131 0.84639806215701 15.999 > 17 68 O 0.95338350356203 0.50436435356131 0.84639806215701 15.999 > 17 *69 O 0.27885125604293 0.10627539624223 0.24991683297748 15.999 > 18 70 O 0.77885125604293 0.10627539624223 0.24991683297748 15.999 > 18 71 O 0.27885125604293 0.10627539624223 0.74991683297748 15.999 > 18 72 O 0.77885125604293 0.10627539624223 0.74991683297748 15.999 > 18 73 O 0.22114874395707 0.60627539624223 0.25008316702252 15.999 > 19 74 O 0.72114874395707 0.60627539624223 0.25008316702252 15.999 > 19 75 O 0.22114874395707 0.60627539624223 0.75008316702252 15.999 > 19 76 O 0.72114874395707 0.60627539624223 0.75008316702252 15.999 > 19 77 O 0.04661649643797 0.00436435356131 0.15360193784299 15.999 > 20 78 O 0.54661649643797 0.00436435356131 0.15360193784299 15.999 > 20 79 O 0.04661649643797 0.00436435356131 0.65360193784299 15.999 > 20 80 O 0.54661649643797 0.00436435356131 0.65360193784299 15.999 > 20 *81 O 0.36300859029599 0.78416992356448 0.04883089738968 15.999 > 21 82 O 0.86300859029599 0.78416992356448 0.04883089738968 15.999 > 21 83 O 0.36300859029599 0.78416992356448 0.54883089738968 15.999 > 21 84 O 0.86300859029599 0.78416992356448 0.54883089738968 15.999 > 21 *85 O 0.29366344399104 0.94143410927016 0.15222228268775 15.999 > 22 86 O 0.79366344399104 0.94143410927016 0.15222228268775 15.999 > 22 87 O 0.29366344399104 0.94143410927016 0.65222228268775 15.999 > 22 88 O 0.79366344399104 0.94143410927016 0.65222228268775 15.999 > 22 *89 O 0.04735331619073 0.61868671989020 0.06300945246212 15.999 > 23 90 O 0.54735331619073 0.61868671989020 0.06300945246212 15.999 > 23 91 O 0.04735331619073 0.61868671989020 0.56300945246212 15.999 > 23 92 O 0.54735331619073 0.61868671989020 0.56300945246212 15.999 > 23 *93 O 0.19223265573861 0.11652012299552 0.06909890778261 15.999 > 24 94 O 0.69223265573861 0.11652012299552 0.06909890778261 15.999 > 24 95 O 0.19223265573861 0.11652012299552 0.56909890778261 15.999 > 24 96 O 0.69223265573861 0.11652012299552 0.56909890778261 15.999 > 24 *97 O 0.32251358665726 0.58790897892166 0.09690707967127 15.999 > 25 98 O 0.82251358665726 0.58790897892166 0.09690707967127 15.999 > 25 99 O 0.32251358665726 0.58790897892166 0.59690707967127 15.999 > 25 100 O 0.82251358665726 0.58790897892166 0.59690707967127 15.999 > 25 101 O 0.45264668380927 0.11868671989020 0.43699054753788 15.999 > 26 102 O 0.95264668380927 0.11868671989020 0.43699054753788 15.999 > 26 103 O 0.45264668380927 0.11868671989020 0.93699054753788 15.999 > 26 104 O 0.95264668380927 0.11868671989020 0.93699054753788 15.999 > 26 105 O 0.17748641334274 0.08790897892166 0.40309292032873 15.999 > 27 106 O 0.67748641334274 0.08790897892166 0.40309292032873 15.999 > 27 107 O 0.17748641334274 0.08790897892166 0.90309292032873 15.999 > 27 108 O 0.67748641334274 0.08790897892166 0.90309292032873 15.999 > 27 109 O 0.20633655600896 0.44143410927016 0.34777771731225 15.999 > 28 110 O 0.70633655600896 0.44143410927016 0.34777771731225 15.999 > 28 111 O 0.20633655600896 0.44143410927016 0.84777771731225 15.999 > 28 112 O 0.70633655600896 0.44143410927016 0.84777771731225 15.999 > 28 113 O 0.30776734426139 0.61652012299552 0.43090109221739 15.999 > 29 114 O 0.80776734426139 0.61652012299552 0.43090109221739 15.999 > 29 115 O 0.30776734426139 0.61652012299552 0.93090109221739 15.999 > 29 116 O 0.80776734426139 0.61652012299552 0.93090109221739 15.999 > 29 117 O 0.13699140970401 0.28416992356448 0.45116910261032 15.999 > 30 118 O 0.63699140970401 0.28416992356448 0.45116910261032 15.999 > 30 119 O 0.13699140970401 0.28416992356448 0.95116910261032 15.999 > 30 120 O 0.63699140970401 0.28416992356448 0.95116910261032 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9888777 0.0000000 0.0152963 0.0000000 3.8476225 0.0000000 0.0152942 0.0000000 3.8985131 -------------------------- Born effective charges -------------------------- 1 La 4.4130707 -0.0676275 0.1395740 -0.0551577 3.9951069 -0.2494221 0.1832471 -0.2475686 4.2922093 2 La 4.4130707 0.0676275 0.1395740 0.0551577 3.9951069 0.2494221 0.1832471 0.2475686 4.2922093 3 La 4.0956584 0.4391309 -0.1490168 0.4584561 4.6797055 -0.1729740 -0.2182263 -0.1921503 3.9104204 4 La 4.1800067 0.0235762 -0.0833405 0.0064898 3.9875959 0.5107765 -0.0643114 0.5192962 4.4519574 5 La 4.0956584 -0.4391309 -0.1490168 -0.4584561 4.6797055 0.1729740 -0.2182263 0.1921503 3.9104204 6 La 4.1800067 -0.0235762 -0.0833405 -0.0064898 3.9875959 -0.5107765 -0.0643114 -0.5192962 4.4519574 7 Si 3.0415909 0.3189824 0.0523009 0.1208914 3.5437618 -0.4379564 0.1917375 -0.0593025 3.1980746 8 Si 3.3499413 -0.0605338 0.1650217 -0.0587637 2.9743015 -0.1991835 -0.0969082 0.0819406 3.7370279 9 Si 3.0415909 -0.3189824 0.0523009 -0.1208914 3.5437618 0.4379564 0.1917375 0.0593025 3.1980746 10 Si 3.3499413 0.0605338 0.1650217 0.0587637 2.9743015 0.1991835 -0.0969082 -0.0819406 3.7370279 11 Cl -1.5218774 0.0883105 -0.0715154 0.0509367 -0.9919478 0.3860399 -0.0596276 0.3863362 -1.5239218 12 Cl -1.4251707 0.0666349 -0.0562643 0.0556565 -1.7337538 -0.3104927 -0.1297676 -0.3057721 -0.8683199 13 Cl -1.5218774 -0.0883105 -0.0715154 -0.0509367 -0.9919478 -0.3860399 -0.0596276 -0.3863362 -1.5239218 14 Cl -1.4251707 -0.0666349 -0.0562643 -0.0556565 -1.7337538 0.3104927 -0.1297676 0.3057721 -0.8683199 15 Cl -1.5171731 -0.0253273 0.0677465 -0.0362686 -0.9000689 -0.3307982 0.0550569 -0.3640403 -1.6300123 16 Cl -1.5171731 0.0253273 0.0677465 0.0362686 -0.9000689 0.3307982 0.0550569 0.3640403 -1.6300123 17 O -2.6756802 0.3195854 0.0288707 0.3210043 -1.2969121 0.2073792 0.1166507 0.0981512 -2.5468596 18 O -2.0247963 0.3981365 -0.1992887 0.3543614 -2.4418025 -0.8803664 -0.2018667 -0.8293510 -2.2377744 19 O -2.0247963 -0.3981365 -0.1992887 -0.3543614 -2.4418025 0.8803664 -0.2018667 0.8293510 -2.2377744 20 O -2.6756802 -0.3195854 0.0288707 -0.3210043 -1.2969121 -0.2073792 0.1166507 -0.0981512 -2.5468596 21 O -1.7932037 0.1835514 0.3135379 0.1128935 -3.2077813 0.2915161 0.3569212 0.4444897 -1.5510550 22 O -2.0046608 0.0641354 0.0624342 0.0862782 -2.3520511 -0.1964337 0.1119115 -0.0865838 -2.4404526 23 O -2.5449282 0.1228075 -0.1852472 0.1229705 -2.1682249 -0.3509781 -0.2283441 -0.2834188 -1.7703621 24 O -1.4057011 0.0998142 0.0498101 0.1627495 -1.7035455 0.7318145 0.0813129 0.7208188 -2.8776292 25 O -2.1670765 0.0900019 -0.1346232 0.0225421 -2.3843838 -0.1102985 -0.0977860 -0.0216494 -2.1433027 26 O -2.5449282 -0.1228075 -0.1852472 -0.1229705 -2.1682249 0.3509781 -0.2283441 0.2834188 -1.7703621 27 O -2.1670765 -0.0900019 -0.1346232 -0.0225421 -2.3843838 0.1102985 -0.0977860 0.0216494 -2.1433027 28 O -2.0046608 -0.0641354 0.0624342 -0.0862782 -2.3520511 0.1964337 0.1119115 0.0865838 -2.4404526 29 O -1.4057011 -0.0998142 0.0498101 -0.1627495 -1.7035455 -0.7318145 0.0813129 -0.7208188 -2.8776292 30 O -1.7932037 -0.1835514 0.3135379 -0.1128935 -3.2077813 -0.2915161 0.3569212 -0.4444897 -1.5510550 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 286 eigenvectors found. (1) Complementary block size: 90 (1) Compute compressed projector. (1) Use standard solver. (1) 60 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 286 eigenvectors found. (1) Complementary block size: 90 (1) Compute compressed projector. (1) Use standard solver. (1) 60 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 448 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 12), data: (960, 27) @ (27, 12) |-- (460, 448), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 236), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 236), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 236), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 60), data: (1800, 90) @ (90, 60) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 60), data: (1800, 90) @ (90, 60) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 3.509 Solver_block: 200 / 1840 - Time: 2.426 Solver_block: 300 / 1840 - Time: 2.297 Solver_block: 400 / 1840 - Time: 2.319 Solver_block: 500 / 1840 - Time: 3.634 Solver_block: 600 / 1840 - Time: 3.194 Solver_block: 700 / 1840 - Time: 3.256 Solver_block: 800 / 1840 - Time: 3.034 Solver_block: 900 / 1840 - Time: 3.182 Solver_block: 1000 / 1840 - Time: 3.143 Solver_block: 1100 / 1840 - Time: 2.960 Solver_block: 1200 / 1840 - Time: 3.164 Solver_block: 1300 / 1840 - Time: 3.418 Solver_block: 1400 / 1840 - Time: 3.183 Solver_block: 1500 / 1840 - Time: 3.231 Solver_block: 1600 / 1840 - Time: 3.196 Solver_block: 1700 / 1840 - Time: 3.220 Solver_block: 1800 / 1840 - Time: 3.281 Solver_block: 1840 / 1840 - Time: 1.552 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 59.520 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 286 eigenvectors found. (1) Complementary block size: 90 (1) Compute compressed projector. (1) Use standard solver. (1) 60 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 286 eigenvectors found. (1) Complementary block size: 90 (1) Compute compressed projector. (1) Use standard solver. (1) 60 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 448 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 12), data: (960, 27) @ (27, 12) |-- (460, 448), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 236), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 236), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 236), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 60), data: (1800, 90) @ (90, 60) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 60), data: (1800, 90) @ (90, 60) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:57:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:57:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.329270130514183 0.000000000000000 0.000000000000000 b 0.000000000000000 12.114283450000000 0.000000000000000 c -2.521317639843263 0.000000000000000 7.450784684866704 Atomic positions (fractional): 1 La 0.02495286300261 0.49358266858777 0.42011693343795 138.905 2 La 0.97504713699739 0.99358266858777 0.57988306656205 138.905 3 La 0.43746473905553 0.74894016591846 0.30004521467113 138.905 4 La 0.29285359635632 0.47066130316472 0.97140188264154 138.905 5 La 0.56253526094447 0.24894016591845 0.69995478532887 138.905 6 La 0.70714640364368 0.97066130316472 0.02859811735846 138.905 7 Si 0.21528222510933 0.15663006959127 0.93399526551968 28.085 8 Si 0.61053138202810 0.54394814008736 0.68295105808445 28.085 9 Si 0.78471777489067 0.65663006959127 0.06600473448032 28.085 10 Si 0.38946861797190 0.04394814008736 0.31704894191555 28.085 11 Cl 0.15604100523042 0.87221848091485 0.94110462070672 35.453 12 Cl 0.98795014385403 0.74714160306032 0.50539924658429 35.453 13 Cl 0.84395899476958 0.37221848091485 0.05889537929328 35.453 14 Cl 0.01204985614597 0.24714160306032 0.49460075341570 35.453 15 Cl 0.53954928706815 0.87561792422967 0.66398268877912 35.453 16 Cl 0.46045071293185 0.37561792422967 0.33601731122088 35.453 17 O 0.90676700712406 0.50436435356131 0.69279612431402 15.999 18 O 0.55770251208586 0.10627539624223 0.49983366595497 15.999 19 O 0.44229748791414 0.60627539624223 0.50016633404503 15.999 20 O 0.09323299287594 0.00436435356131 0.30720387568598 15.999 21 O 0.72601718059198 0.78416992356448 0.09766179477937 15.999 22 O 0.58732688798207 0.94143410927016 0.30444456537549 15.999 23 O 0.09470663238147 0.61868671989020 0.12601890492424 15.999 24 O 0.38446531147723 0.11652012299552 0.13819781556522 15.999 25 O 0.64502717331452 0.58790897892166 0.19381415934253 15.999 26 O 0.90529336761853 0.11868671989020 0.87398109507577 15.999 27 O 0.35497282668548 0.08790897892166 0.80618584065747 15.999 28 O 0.41267311201793 0.44143410927016 0.69555543462451 15.999 29 O 0.61553468852277 0.61652012299552 0.86180218443478 15.999 30 O 0.27398281940801 0.28416992356448 0.90233820522063 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.658540261028365 0.000000000000000 0.000000000000000 b 0.000000000000000 12.114283450000000 0.000000000000000 c -5.042635279686526 0.000000000000000 14.901569369733409 Atomic positions (fractional): 1 La 0.01247643150131 0.49358266858777 0.21005846671898 138.905 > 1 2 La 0.51247643150131 0.49358266858777 0.21005846671898 138.905 > 1 3 La 0.01247643150131 0.49358266858777 0.71005846671898 138.905 > 1 4 La 0.51247643150131 0.49358266858777 0.71005846671898 138.905 > 1 5 La 0.48752356849869 0.99358266858777 0.28994153328102 138.905 > 5 6 La 0.98752356849869 0.99358266858777 0.28994153328102 138.905 > 5 7 La 0.48752356849869 0.99358266858777 0.78994153328102 138.905 > 5 8 La 0.98752356849869 0.99358266858777 0.78994153328102 138.905 > 5 9 La 0.21873236952776 0.74894016591846 0.15002260733556 138.905 > 9 10 La 0.71873236952776 0.74894016591846 0.15002260733556 138.905 > 9 11 La 0.21873236952776 0.74894016591846 0.65002260733556 138.905 > 9 12 La 0.71873236952776 0.74894016591846 0.65002260733556 138.905 > 9 13 La 0.14642679817816 0.47066130316472 0.48570094132077 138.905 > 13 14 La 0.64642679817816 0.47066130316472 0.48570094132077 138.905 > 13 15 La 0.14642679817816 0.47066130316472 0.98570094132077 138.905 > 13 16 La 0.64642679817816 0.47066130316472 0.98570094132077 138.905 > 13 17 La 0.28126763047224 0.24894016591845 0.34997739266444 138.905 > 17 18 La 0.78126763047224 0.24894016591845 0.34997739266444 138.905 > 17 19 La 0.28126763047224 0.24894016591845 0.84997739266444 138.905 > 17 20 La 0.78126763047224 0.24894016591845 0.84997739266444 138.905 > 17 21 La 0.35357320182184 0.97066130316472 0.01429905867923 138.905 > 21 22 La 0.85357320182184 0.97066130316472 0.01429905867923 138.905 > 21 23 La 0.35357320182184 0.97066130316472 0.51429905867923 138.905 > 21 24 La 0.85357320182184 0.97066130316472 0.51429905867923 138.905 > 21 25 Si 0.10764111255466 0.15663006959127 0.46699763275984 28.085 > 25 26 Si 0.60764111255466 0.15663006959127 0.46699763275984 28.085 > 25 27 Si 0.10764111255466 0.15663006959127 0.96699763275984 28.085 > 25 28 Si 0.60764111255466 0.15663006959127 0.96699763275984 28.085 > 25 29 Si 0.30526569101405 0.54394814008736 0.34147552904222 28.085 > 29 30 Si 0.80526569101405 0.54394814008736 0.34147552904222 28.085 > 29 31 Si 0.30526569101405 0.54394814008736 0.84147552904222 28.085 > 29 32 Si 0.80526569101405 0.54394814008736 0.84147552904222 28.085 > 29 33 Si 0.39235888744534 0.65663006959127 0.03300236724016 28.085 > 33 34 Si 0.89235888744534 0.65663006959127 0.03300236724016 28.085 > 33 35 Si 0.39235888744534 0.65663006959127 0.53300236724016 28.085 > 33 36 Si 0.89235888744534 0.65663006959127 0.53300236724016 28.085 > 33 37 Si 0.19473430898595 0.04394814008736 0.15852447095778 28.085 > 37 38 Si 0.69473430898595 0.04394814008736 0.15852447095778 28.085 > 37 39 Si 0.19473430898595 0.04394814008736 0.65852447095778 28.085 > 37 40 Si 0.69473430898595 0.04394814008736 0.65852447095778 28.085 > 37 41 Cl 0.07802050261521 0.87221848091485 0.47055231035336 35.453 > 41 42 Cl 0.57802050261521 0.87221848091485 0.47055231035336 35.453 > 41 43 Cl 0.07802050261521 0.87221848091485 0.97055231035336 35.453 > 41 44 Cl 0.57802050261521 0.87221848091485 0.97055231035336 35.453 > 41 45 Cl 0.49397507192701 0.74714160306032 0.25269962329215 35.453 > 45 46 Cl 0.99397507192701 0.74714160306032 0.25269962329215 35.453 > 45 47 Cl 0.49397507192701 0.74714160306032 0.75269962329215 35.453 > 45 48 Cl 0.99397507192701 0.74714160306032 0.75269962329215 35.453 > 45 49 Cl 0.42197949738479 0.37221848091485 0.02944768964664 35.453 > 49 50 Cl 0.92197949738479 0.37221848091485 0.02944768964664 35.453 > 49 51 Cl 0.42197949738479 0.37221848091485 0.52944768964664 35.453 > 49 52 Cl 0.92197949738479 0.37221848091485 0.52944768964664 35.453 > 49 53 Cl 0.00602492807299 0.24714160306032 0.24730037670785 35.453 > 53 54 Cl 0.50602492807299 0.24714160306032 0.24730037670785 35.453 > 53 55 Cl 0.00602492807299 0.24714160306032 0.74730037670785 35.453 > 53 56 Cl 0.50602492807299 0.24714160306032 0.74730037670785 35.453 > 53 57 Cl 0.26977464353407 0.87561792422967 0.33199134438956 35.453 > 57 58 Cl 0.76977464353407 0.87561792422967 0.33199134438956 35.453 > 57 59 Cl 0.26977464353407 0.87561792422967 0.83199134438956 35.453 > 57 60 Cl 0.76977464353407 0.87561792422967 0.83199134438956 35.453 > 57 61 Cl 0.23022535646593 0.37561792422967 0.16800865561044 35.453 > 61 62 Cl 0.73022535646593 0.37561792422967 0.16800865561044 35.453 > 61 63 Cl 0.23022535646593 0.37561792422967 0.66800865561044 35.453 > 61 64 Cl 0.73022535646593 0.37561792422967 0.66800865561044 35.453 > 61 65 O 0.45338350356203 0.50436435356131 0.34639806215701 15.999 > 65 66 O 0.95338350356203 0.50436435356131 0.34639806215701 15.999 > 65 67 O 0.45338350356203 0.50436435356131 0.84639806215701 15.999 > 65 68 O 0.95338350356203 0.50436435356131 0.84639806215701 15.999 > 65 69 O 0.27885125604293 0.10627539624223 0.24991683297748 15.999 > 69 70 O 0.77885125604293 0.10627539624223 0.24991683297748 15.999 > 69 71 O 0.27885125604293 0.10627539624223 0.74991683297748 15.999 > 69 72 O 0.77885125604293 0.10627539624223 0.74991683297748 15.999 > 69 73 O 0.22114874395707 0.60627539624223 0.25008316702252 15.999 > 73 74 O 0.72114874395707 0.60627539624223 0.25008316702252 15.999 > 73 75 O 0.22114874395707 0.60627539624223 0.75008316702252 15.999 > 73 76 O 0.72114874395707 0.60627539624223 0.75008316702252 15.999 > 73 77 O 0.04661649643797 0.00436435356131 0.15360193784299 15.999 > 77 78 O 0.54661649643797 0.00436435356131 0.15360193784299 15.999 > 77 79 O 0.04661649643797 0.00436435356131 0.65360193784299 15.999 > 77 80 O 0.54661649643797 0.00436435356131 0.65360193784299 15.999 > 77 81 O 0.36300859029599 0.78416992356448 0.04883089738968 15.999 > 81 82 O 0.86300859029599 0.78416992356448 0.04883089738968 15.999 > 81 83 O 0.36300859029599 0.78416992356448 0.54883089738968 15.999 > 81 84 O 0.86300859029599 0.78416992356448 0.54883089738968 15.999 > 81 85 O 0.29366344399104 0.94143410927016 0.15222228268775 15.999 > 85 86 O 0.79366344399104 0.94143410927016 0.15222228268775 15.999 > 85 87 O 0.29366344399104 0.94143410927016 0.65222228268775 15.999 > 85 88 O 0.79366344399104 0.94143410927016 0.65222228268775 15.999 > 85 89 O 0.04735331619073 0.61868671989020 0.06300945246212 15.999 > 89 90 O 0.54735331619073 0.61868671989020 0.06300945246212 15.999 > 89 91 O 0.04735331619073 0.61868671989020 0.56300945246212 15.999 > 89 92 O 0.54735331619073 0.61868671989020 0.56300945246212 15.999 > 89 93 O 0.19223265573861 0.11652012299552 0.06909890778261 15.999 > 93 94 O 0.69223265573861 0.11652012299552 0.06909890778261 15.999 > 93 95 O 0.19223265573861 0.11652012299552 0.56909890778261 15.999 > 93 96 O 0.69223265573861 0.11652012299552 0.56909890778261 15.999 > 93 97 O 0.32251358665726 0.58790897892166 0.09690707967127 15.999 > 97 98 O 0.82251358665726 0.58790897892166 0.09690707967127 15.999 > 97 99 O 0.32251358665726 0.58790897892166 0.59690707967127 15.999 > 97 100 O 0.82251358665726 0.58790897892166 0.59690707967127 15.999 > 97 101 O 0.45264668380927 0.11868671989020 0.43699054753788 15.999 > 101 102 O 0.95264668380927 0.11868671989020 0.43699054753788 15.999 > 101 103 O 0.45264668380927 0.11868671989020 0.93699054753788 15.999 > 101 104 O 0.95264668380927 0.11868671989020 0.93699054753788 15.999 > 101 105 O 0.17748641334274 0.08790897892166 0.40309292032873 15.999 > 105 106 O 0.67748641334274 0.08790897892166 0.40309292032873 15.999 > 105 107 O 0.17748641334274 0.08790897892166 0.90309292032873 15.999 > 105 108 O 0.67748641334274 0.08790897892166 0.90309292032873 15.999 > 105 109 O 0.20633655600896 0.44143410927016 0.34777771731225 15.999 > 109 110 O 0.70633655600896 0.44143410927016 0.34777771731225 15.999 > 109 111 O 0.20633655600896 0.44143410927016 0.84777771731225 15.999 > 109 112 O 0.70633655600896 0.44143410927016 0.84777771731225 15.999 > 109 113 O 0.30776734426139 0.61652012299552 0.43090109221739 15.999 > 113 114 O 0.80776734426139 0.61652012299552 0.43090109221739 15.999 > 113 115 O 0.30776734426139 0.61652012299552 0.93090109221739 15.999 > 113 116 O 0.80776734426139 0.61652012299552 0.93090109221739 15.999 > 113 117 O 0.13699140970401 0.28416992356448 0.45116910261032 15.999 > 117 118 O 0.63699140970401 0.28416992356448 0.45116910261032 15.999 > 117 119 O 0.13699140970401 0.28416992356448 0.95116910261032 15.999 > 117 120 O 0.63699140970401 0.28416992356448 0.95116910261032 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9888777 0.0000000 0.0152963 0.0000000 3.8476225 0.0000000 0.0152942 0.0000000 3.8985131 -------------------------- Born effective charges -------------------------- 1 La 4.4130707 -0.0676275 0.1395740 -0.0551577 3.9951069 -0.2494221 0.1832471 -0.2475686 4.2922093 2 La 4.4130707 0.0676275 0.1395740 0.0551577 3.9951069 0.2494221 0.1832471 0.2475686 4.2922093 3 La 4.0956584 0.4391309 -0.1490168 0.4584561 4.6797055 -0.1729740 -0.2182263 -0.1921503 3.9104204 4 La 4.1800067 0.0235762 -0.0833405 0.0064898 3.9875959 0.5107765 -0.0643114 0.5192962 4.4519574 5 La 4.0956584 -0.4391309 -0.1490168 -0.4584561 4.6797055 0.1729740 -0.2182263 0.1921503 3.9104204 6 La 4.1800067 -0.0235762 -0.0833405 -0.0064898 3.9875959 -0.5107765 -0.0643114 -0.5192962 4.4519574 7 Si 3.0415909 0.3189824 0.0523009 0.1208914 3.5437618 -0.4379564 0.1917375 -0.0593025 3.1980746 8 Si 3.3499413 -0.0605338 0.1650217 -0.0587637 2.9743015 -0.1991835 -0.0969082 0.0819406 3.7370279 9 Si 3.0415909 -0.3189824 0.0523009 -0.1208914 3.5437618 0.4379564 0.1917375 0.0593025 3.1980746 10 Si 3.3499413 0.0605338 0.1650217 0.0587637 2.9743015 0.1991835 -0.0969082 -0.0819406 3.7370279 11 Cl -1.5218774 0.0883105 -0.0715154 0.0509367 -0.9919478 0.3860399 -0.0596276 0.3863362 -1.5239218 12 Cl -1.4251707 0.0666349 -0.0562643 0.0556565 -1.7337538 -0.3104927 -0.1297676 -0.3057721 -0.8683199 13 Cl -1.5218774 -0.0883105 -0.0715154 -0.0509367 -0.9919478 -0.3860399 -0.0596276 -0.3863362 -1.5239218 14 Cl -1.4251707 -0.0666349 -0.0562643 -0.0556565 -1.7337538 0.3104927 -0.1297676 0.3057721 -0.8683199 15 Cl -1.5171731 -0.0253273 0.0677465 -0.0362686 -0.9000689 -0.3307982 0.0550569 -0.3640403 -1.6300123 16 Cl -1.5171731 0.0253273 0.0677465 0.0362686 -0.9000689 0.3307982 0.0550569 0.3640403 -1.6300123 17 O -2.6756802 0.3195854 0.0288707 0.3210043 -1.2969121 0.2073792 0.1166507 0.0981512 -2.5468596 18 O -2.0247963 0.3981365 -0.1992887 0.3543614 -2.4418025 -0.8803664 -0.2018667 -0.8293510 -2.2377744 19 O -2.0247963 -0.3981365 -0.1992887 -0.3543614 -2.4418025 0.8803664 -0.2018667 0.8293510 -2.2377744 20 O -2.6756802 -0.3195854 0.0288707 -0.3210043 -1.2969121 -0.2073792 0.1166507 -0.0981512 -2.5468596 21 O -1.7932037 0.1835514 0.3135379 0.1128935 -3.2077813 0.2915161 0.3569212 0.4444897 -1.5510550 22 O -2.0046608 0.0641354 0.0624342 0.0862782 -2.3520511 -0.1964337 0.1119115 -0.0865838 -2.4404526 23 O -2.5449282 0.1228075 -0.1852472 0.1229705 -2.1682249 -0.3509781 -0.2283441 -0.2834188 -1.7703621 24 O -1.4057011 0.0998142 0.0498101 0.1627495 -1.7035455 0.7318145 0.0813129 0.7208188 -2.8776292 25 O -2.1670765 0.0900019 -0.1346232 0.0225421 -2.3843838 -0.1102985 -0.0977860 -0.0216494 -2.1433027 26 O -2.5449282 -0.1228075 -0.1852472 -0.1229705 -2.1682249 0.3509781 -0.2283441 0.2834188 -1.7703621 27 O -2.1670765 -0.0900019 -0.1346232 -0.0225421 -2.3843838 0.1102985 -0.0977860 0.0216494 -2.1433027 28 O -2.0046608 -0.0641354 0.0624342 -0.0862782 -2.3520511 0.1964337 0.1119115 0.0865838 -2.4404526 29 O -1.4057011 -0.0998142 0.0498101 -0.1627495 -1.7035455 -0.7318145 0.0813129 -0.7208188 -2.8776292 30 O -1.7932037 -0.1835514 0.3135379 -0.1128935 -3.2077813 -0.2915161 0.3569212 -0.4444897 -1.5510550 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 29, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 41, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 45, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 89, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 93, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:58:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:58:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.329270130514183 0.000000000000000 0.000000000000000 b 0.000000000000000 12.114283450000000 0.000000000000000 c -2.521317639843263 0.000000000000000 7.450784684866704 Atomic positions (fractional): 1 La 0.02495286300261 0.49358266858777 0.42011693343795 138.905 2 La 0.97504713699739 0.99358266858777 0.57988306656205 138.905 3 La 0.43746473905553 0.74894016591846 0.30004521467113 138.905 4 La 0.29285359635632 0.47066130316472 0.97140188264154 138.905 5 La 0.56253526094447 0.24894016591845 0.69995478532887 138.905 6 La 0.70714640364368 0.97066130316472 0.02859811735846 138.905 7 Si 0.21528222510933 0.15663006959127 0.93399526551968 28.085 8 Si 0.61053138202810 0.54394814008736 0.68295105808445 28.085 9 Si 0.78471777489067 0.65663006959127 0.06600473448032 28.085 10 Si 0.38946861797190 0.04394814008736 0.31704894191555 28.085 11 Cl 0.15604100523042 0.87221848091485 0.94110462070672 35.453 12 Cl 0.98795014385403 0.74714160306032 0.50539924658429 35.453 13 Cl 0.84395899476958 0.37221848091485 0.05889537929328 35.453 14 Cl 0.01204985614597 0.24714160306032 0.49460075341570 35.453 15 Cl 0.53954928706815 0.87561792422967 0.66398268877912 35.453 16 Cl 0.46045071293185 0.37561792422967 0.33601731122088 35.453 17 O 0.90676700712406 0.50436435356131 0.69279612431402 15.999 18 O 0.55770251208586 0.10627539624223 0.49983366595497 15.999 19 O 0.44229748791414 0.60627539624223 0.50016633404503 15.999 20 O 0.09323299287594 0.00436435356131 0.30720387568598 15.999 21 O 0.72601718059198 0.78416992356448 0.09766179477937 15.999 22 O 0.58732688798207 0.94143410927016 0.30444456537549 15.999 23 O 0.09470663238147 0.61868671989020 0.12601890492424 15.999 24 O 0.38446531147723 0.11652012299552 0.13819781556522 15.999 25 O 0.64502717331452 0.58790897892166 0.19381415934253 15.999 26 O 0.90529336761853 0.11868671989020 0.87398109507577 15.999 27 O 0.35497282668548 0.08790897892166 0.80618584065747 15.999 28 O 0.41267311201793 0.44143410927016 0.69555543462451 15.999 29 O 0.61553468852277 0.61652012299552 0.86180218443478 15.999 30 O 0.27398281940801 0.28416992356448 0.90233820522063 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.658540261028365 0.000000000000000 0.000000000000000 b 0.000000000000000 12.114283450000000 0.000000000000000 c -5.042635279686526 0.000000000000000 14.901569369733409 Atomic positions (fractional): 1 La 0.01247643150131 0.49358266858777 0.21005846671898 138.905 > 1 2 La 0.51247643150131 0.49358266858777 0.21005846671898 138.905 > 1 3 La 0.01247643150131 0.49358266858777 0.71005846671898 138.905 > 1 4 La 0.51247643150131 0.49358266858777 0.71005846671898 138.905 > 1 5 La 0.48752356849869 0.99358266858777 0.28994153328102 138.905 > 5 6 La 0.98752356849869 0.99358266858777 0.28994153328102 138.905 > 5 7 La 0.48752356849869 0.99358266858777 0.78994153328102 138.905 > 5 8 La 0.98752356849869 0.99358266858777 0.78994153328102 138.905 > 5 9 La 0.21873236952776 0.74894016591846 0.15002260733556 138.905 > 9 10 La 0.71873236952776 0.74894016591846 0.15002260733556 138.905 > 9 11 La 0.21873236952776 0.74894016591846 0.65002260733556 138.905 > 9 12 La 0.71873236952776 0.74894016591846 0.65002260733556 138.905 > 9 13 La 0.14642679817816 0.47066130316472 0.48570094132077 138.905 > 13 14 La 0.64642679817816 0.47066130316472 0.48570094132077 138.905 > 13 15 La 0.14642679817816 0.47066130316472 0.98570094132077 138.905 > 13 16 La 0.64642679817816 0.47066130316472 0.98570094132077 138.905 > 13 17 La 0.28126763047224 0.24894016591845 0.34997739266444 138.905 > 17 18 La 0.78126763047224 0.24894016591845 0.34997739266444 138.905 > 17 19 La 0.28126763047224 0.24894016591845 0.84997739266444 138.905 > 17 20 La 0.78126763047224 0.24894016591845 0.84997739266444 138.905 > 17 21 La 0.35357320182184 0.97066130316472 0.01429905867923 138.905 > 21 22 La 0.85357320182184 0.97066130316472 0.01429905867923 138.905 > 21 23 La 0.35357320182184 0.97066130316472 0.51429905867923 138.905 > 21 24 La 0.85357320182184 0.97066130316472 0.51429905867923 138.905 > 21 25 Si 0.10764111255466 0.15663006959127 0.46699763275984 28.085 > 25 26 Si 0.60764111255466 0.15663006959127 0.46699763275984 28.085 > 25 27 Si 0.10764111255466 0.15663006959127 0.96699763275984 28.085 > 25 28 Si 0.60764111255466 0.15663006959127 0.96699763275984 28.085 > 25 29 Si 0.30526569101405 0.54394814008736 0.34147552904222 28.085 > 29 30 Si 0.80526569101405 0.54394814008736 0.34147552904222 28.085 > 29 31 Si 0.30526569101405 0.54394814008736 0.84147552904222 28.085 > 29 32 Si 0.80526569101405 0.54394814008736 0.84147552904222 28.085 > 29 33 Si 0.39235888744534 0.65663006959127 0.03300236724016 28.085 > 33 34 Si 0.89235888744534 0.65663006959127 0.03300236724016 28.085 > 33 35 Si 0.39235888744534 0.65663006959127 0.53300236724016 28.085 > 33 36 Si 0.89235888744534 0.65663006959127 0.53300236724016 28.085 > 33 37 Si 0.19473430898595 0.04394814008736 0.15852447095778 28.085 > 37 38 Si 0.69473430898595 0.04394814008736 0.15852447095778 28.085 > 37 39 Si 0.19473430898595 0.04394814008736 0.65852447095778 28.085 > 37 40 Si 0.69473430898595 0.04394814008736 0.65852447095778 28.085 > 37 41 Cl 0.07802050261521 0.87221848091485 0.47055231035336 35.453 > 41 42 Cl 0.57802050261521 0.87221848091485 0.47055231035336 35.453 > 41 43 Cl 0.07802050261521 0.87221848091485 0.97055231035336 35.453 > 41 44 Cl 0.57802050261521 0.87221848091485 0.97055231035336 35.453 > 41 45 Cl 0.49397507192701 0.74714160306032 0.25269962329215 35.453 > 45 46 Cl 0.99397507192701 0.74714160306032 0.25269962329215 35.453 > 45 47 Cl 0.49397507192701 0.74714160306032 0.75269962329215 35.453 > 45 48 Cl 0.99397507192701 0.74714160306032 0.75269962329215 35.453 > 45 49 Cl 0.42197949738479 0.37221848091485 0.02944768964664 35.453 > 49 50 Cl 0.92197949738479 0.37221848091485 0.02944768964664 35.453 > 49 51 Cl 0.42197949738479 0.37221848091485 0.52944768964664 35.453 > 49 52 Cl 0.92197949738479 0.37221848091485 0.52944768964664 35.453 > 49 53 Cl 0.00602492807299 0.24714160306032 0.24730037670785 35.453 > 53 54 Cl 0.50602492807299 0.24714160306032 0.24730037670785 35.453 > 53 55 Cl 0.00602492807299 0.24714160306032 0.74730037670785 35.453 > 53 56 Cl 0.50602492807299 0.24714160306032 0.74730037670785 35.453 > 53 57 Cl 0.26977464353407 0.87561792422967 0.33199134438956 35.453 > 57 58 Cl 0.76977464353407 0.87561792422967 0.33199134438956 35.453 > 57 59 Cl 0.26977464353407 0.87561792422967 0.83199134438956 35.453 > 57 60 Cl 0.76977464353407 0.87561792422967 0.83199134438956 35.453 > 57 61 Cl 0.23022535646593 0.37561792422967 0.16800865561044 35.453 > 61 62 Cl 0.73022535646593 0.37561792422967 0.16800865561044 35.453 > 61 63 Cl 0.23022535646593 0.37561792422967 0.66800865561044 35.453 > 61 64 Cl 0.73022535646593 0.37561792422967 0.66800865561044 35.453 > 61 65 O 0.45338350356203 0.50436435356131 0.34639806215701 15.999 > 65 66 O 0.95338350356203 0.50436435356131 0.34639806215701 15.999 > 65 67 O 0.45338350356203 0.50436435356131 0.84639806215701 15.999 > 65 68 O 0.95338350356203 0.50436435356131 0.84639806215701 15.999 > 65 69 O 0.27885125604293 0.10627539624223 0.24991683297748 15.999 > 69 70 O 0.77885125604293 0.10627539624223 0.24991683297748 15.999 > 69 71 O 0.27885125604293 0.10627539624223 0.74991683297748 15.999 > 69 72 O 0.77885125604293 0.10627539624223 0.74991683297748 15.999 > 69 73 O 0.22114874395707 0.60627539624223 0.25008316702252 15.999 > 73 74 O 0.72114874395707 0.60627539624223 0.25008316702252 15.999 > 73 75 O 0.22114874395707 0.60627539624223 0.75008316702252 15.999 > 73 76 O 0.72114874395707 0.60627539624223 0.75008316702252 15.999 > 73 77 O 0.04661649643797 0.00436435356131 0.15360193784299 15.999 > 77 78 O 0.54661649643797 0.00436435356131 0.15360193784299 15.999 > 77 79 O 0.04661649643797 0.00436435356131 0.65360193784299 15.999 > 77 80 O 0.54661649643797 0.00436435356131 0.65360193784299 15.999 > 77 81 O 0.36300859029599 0.78416992356448 0.04883089738968 15.999 > 81 82 O 0.86300859029599 0.78416992356448 0.04883089738968 15.999 > 81 83 O 0.36300859029599 0.78416992356448 0.54883089738968 15.999 > 81 84 O 0.86300859029599 0.78416992356448 0.54883089738968 15.999 > 81 85 O 0.29366344399104 0.94143410927016 0.15222228268775 15.999 > 85 86 O 0.79366344399104 0.94143410927016 0.15222228268775 15.999 > 85 87 O 0.29366344399104 0.94143410927016 0.65222228268775 15.999 > 85 88 O 0.79366344399104 0.94143410927016 0.65222228268775 15.999 > 85 89 O 0.04735331619073 0.61868671989020 0.06300945246212 15.999 > 89 90 O 0.54735331619073 0.61868671989020 0.06300945246212 15.999 > 89 91 O 0.04735331619073 0.61868671989020 0.56300945246212 15.999 > 89 92 O 0.54735331619073 0.61868671989020 0.56300945246212 15.999 > 89 93 O 0.19223265573861 0.11652012299552 0.06909890778261 15.999 > 93 94 O 0.69223265573861 0.11652012299552 0.06909890778261 15.999 > 93 95 O 0.19223265573861 0.11652012299552 0.56909890778261 15.999 > 93 96 O 0.69223265573861 0.11652012299552 0.56909890778261 15.999 > 93 97 O 0.32251358665726 0.58790897892166 0.09690707967127 15.999 > 97 98 O 0.82251358665726 0.58790897892166 0.09690707967127 15.999 > 97 99 O 0.32251358665726 0.58790897892166 0.59690707967127 15.999 > 97 100 O 0.82251358665726 0.58790897892166 0.59690707967127 15.999 > 97 101 O 0.45264668380927 0.11868671989020 0.43699054753788 15.999 > 101 102 O 0.95264668380927 0.11868671989020 0.43699054753788 15.999 > 101 103 O 0.45264668380927 0.11868671989020 0.93699054753788 15.999 > 101 104 O 0.95264668380927 0.11868671989020 0.93699054753788 15.999 > 101 105 O 0.17748641334274 0.08790897892166 0.40309292032873 15.999 > 105 106 O 0.67748641334274 0.08790897892166 0.40309292032873 15.999 > 105 107 O 0.17748641334274 0.08790897892166 0.90309292032873 15.999 > 105 108 O 0.67748641334274 0.08790897892166 0.90309292032873 15.999 > 105 109 O 0.20633655600896 0.44143410927016 0.34777771731225 15.999 > 109 110 O 0.70633655600896 0.44143410927016 0.34777771731225 15.999 > 109 111 O 0.20633655600896 0.44143410927016 0.84777771731225 15.999 > 109 112 O 0.70633655600896 0.44143410927016 0.84777771731225 15.999 > 109 113 O 0.30776734426139 0.61652012299552 0.43090109221739 15.999 > 113 114 O 0.80776734426139 0.61652012299552 0.43090109221739 15.999 > 113 115 O 0.30776734426139 0.61652012299552 0.93090109221739 15.999 > 113 116 O 0.80776734426139 0.61652012299552 0.93090109221739 15.999 > 113 117 O 0.13699140970401 0.28416992356448 0.45116910261032 15.999 > 117 118 O 0.63699140970401 0.28416992356448 0.45116910261032 15.999 > 117 119 O 0.13699140970401 0.28416992356448 0.95116910261032 15.999 > 117 120 O 0.63699140970401 0.28416992356448 0.95116910261032 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9888777 0.0000000 0.0152963 0.0000000 3.8476225 0.0000000 0.0152942 0.0000000 3.8985131 -------------------------- Born effective charges -------------------------- 1 La 4.4130707 -0.0676275 0.1395740 -0.0551577 3.9951069 -0.2494221 0.1832471 -0.2475686 4.2922093 2 La 4.4130707 0.0676275 0.1395740 0.0551577 3.9951069 0.2494221 0.1832471 0.2475686 4.2922093 3 La 4.0956584 0.4391309 -0.1490168 0.4584561 4.6797055 -0.1729740 -0.2182263 -0.1921503 3.9104204 4 La 4.1800067 0.0235762 -0.0833405 0.0064898 3.9875959 0.5107765 -0.0643114 0.5192962 4.4519574 5 La 4.0956584 -0.4391309 -0.1490168 -0.4584561 4.6797055 0.1729740 -0.2182263 0.1921503 3.9104204 6 La 4.1800067 -0.0235762 -0.0833405 -0.0064898 3.9875959 -0.5107765 -0.0643114 -0.5192962 4.4519574 7 Si 3.0415909 0.3189824 0.0523009 0.1208914 3.5437618 -0.4379564 0.1917375 -0.0593025 3.1980746 8 Si 3.3499413 -0.0605338 0.1650217 -0.0587637 2.9743015 -0.1991835 -0.0969082 0.0819406 3.7370279 9 Si 3.0415909 -0.3189824 0.0523009 -0.1208914 3.5437618 0.4379564 0.1917375 0.0593025 3.1980746 10 Si 3.3499413 0.0605338 0.1650217 0.0587637 2.9743015 0.1991835 -0.0969082 -0.0819406 3.7370279 11 Cl -1.5218774 0.0883105 -0.0715154 0.0509367 -0.9919478 0.3860399 -0.0596276 0.3863362 -1.5239218 12 Cl -1.4251707 0.0666349 -0.0562643 0.0556565 -1.7337538 -0.3104927 -0.1297676 -0.3057721 -0.8683199 13 Cl -1.5218774 -0.0883105 -0.0715154 -0.0509367 -0.9919478 -0.3860399 -0.0596276 -0.3863362 -1.5239218 14 Cl -1.4251707 -0.0666349 -0.0562643 -0.0556565 -1.7337538 0.3104927 -0.1297676 0.3057721 -0.8683199 15 Cl -1.5171731 -0.0253273 0.0677465 -0.0362686 -0.9000689 -0.3307982 0.0550569 -0.3640403 -1.6300123 16 Cl -1.5171731 0.0253273 0.0677465 0.0362686 -0.9000689 0.3307982 0.0550569 0.3640403 -1.6300123 17 O -2.6756802 0.3195854 0.0288707 0.3210043 -1.2969121 0.2073792 0.1166507 0.0981512 -2.5468596 18 O -2.0247963 0.3981365 -0.1992887 0.3543614 -2.4418025 -0.8803664 -0.2018667 -0.8293510 -2.2377744 19 O -2.0247963 -0.3981365 -0.1992887 -0.3543614 -2.4418025 0.8803664 -0.2018667 0.8293510 -2.2377744 20 O -2.6756802 -0.3195854 0.0288707 -0.3210043 -1.2969121 -0.2073792 0.1166507 -0.0981512 -2.5468596 21 O -1.7932037 0.1835514 0.3135379 0.1128935 -3.2077813 0.2915161 0.3569212 0.4444897 -1.5510550 22 O -2.0046608 0.0641354 0.0624342 0.0862782 -2.3520511 -0.1964337 0.1119115 -0.0865838 -2.4404526 23 O -2.5449282 0.1228075 -0.1852472 0.1229705 -2.1682249 -0.3509781 -0.2283441 -0.2834188 -1.7703621 24 O -1.4057011 0.0998142 0.0498101 0.1627495 -1.7035455 0.7318145 0.0813129 0.7208188 -2.8776292 25 O -2.1670765 0.0900019 -0.1346232 0.0225421 -2.3843838 -0.1102985 -0.0977860 -0.0216494 -2.1433027 26 O -2.5449282 -0.1228075 -0.1852472 -0.1229705 -2.1682249 0.3509781 -0.2283441 0.2834188 -1.7703621 27 O -2.1670765 -0.0900019 -0.1346232 -0.0225421 -2.3843838 0.1102985 -0.0977860 0.0216494 -2.1433027 28 O -2.0046608 -0.0641354 0.0624342 -0.0862782 -2.3520511 0.1964337 0.1119115 0.0865838 -2.4404526 29 O -1.4057011 -0.0998142 0.0498101 -0.1627495 -1.7035455 -0.7318145 0.0813129 -0.7208188 -2.8776292 30 O -1.7932037 -0.1835514 0.3135379 -0.1128935 -3.2077813 -0.2915161 0.3569212 -0.4444897 -1.5510550 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 4 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.348 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.379 ( 0.000 0.000 0.000) 0.000 6.706 ( 0.000 0.000 0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.255 ( 0.000 0.000 0.000) 0.000 8.638 ( 0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.989 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 10.529 ( 0.000 0.000 0.000) 0.000 11.649 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 12.255 ( 0.000 0.000 0.000) 0.000 12.303 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 13.101 ( 0.000 0.000 0.000) 0.000 13.679 ( 0.000 0.000 0.000) 0.000 14.058 ( 0.000 0.000 0.000) 0.000 14.208 ( 0.000 0.000 0.000) 0.000 14.457 ( 0.000 0.000 0.000) 0.000 15.465 ( 0.000 0.000 0.000) 0.000 15.514 ( 0.000 0.000 0.000) 0.000 15.621 ( 0.000 0.000 0.000) 0.000 15.968 ( 0.000 0.000 0.000) 0.000 19.325 ( 0.000 0.000 0.000) 0.000 19.443 ( 0.000 0.000 0.000) 0.000 24.687 ( 0.000 0.000 0.000) 0.000 24.794 ( 0.000 0.000 0.000) 0.000 25.371 ( 0.000 0.000 0.000) 0.000 25.863 ( 0.000 0.000 0.000) 0.000 26.165 ( 0.000 0.000 0.000) 0.000 26.193 ( 0.000 0.000 0.000) 0.000 27.056 ( 0.000 0.000 0.000) 0.000 27.097 ( 0.000 0.000 0.000) 0.000 28.728 ( 0.000 0.000 0.000) 0.000 28.801 ( 0.000 0.000 0.000) 0.000 28.970 ( 0.000 0.000 0.000) 0.000 29.992 ( 0.000 0.000 0.000) 0.000 31.171 ( 0.000 0.000 0.000) 0.000 31.412 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 28.315 0.000 4.437) 28.661 0.614 ( 29.710 0.000 3.743) 29.945 1.077 ( 48.117 0.000 18.536) 51.564 1.839 ( 8.052 0.000 4.562) 9.254 2.011 ( 9.687 0.000 -0.267) 9.691 2.279 ( -2.477 0.000 2.791) 3.732 2.388 ( 2.860 0.000 -1.876) 3.421 2.507 ( 2.827 0.000 -0.182) 2.833 2.545 ( 7.686 0.000 -1.792) 7.892 2.700 ( -0.150 0.000 1.929) 1.935 2.869 ( -0.268 0.000 -2.215) 2.231 3.000 ( -1.388 0.000 -4.172) 4.397 3.107 ( 3.657 0.000 -2.166) 4.250 3.170 ( 1.106 0.000 1.650) 1.987 3.431 ( -0.920 0.000 -4.693) 4.782 3.504 ( -1.810 0.000 0.372) 1.847 3.654 ( 3.830 0.000 -5.570) 6.760 3.696 ( 1.182 0.000 0.752) 1.401 3.853 ( 1.720 0.000 -3.816) 4.185 3.903 ( -2.144 0.000 1.356) 2.537 4.094 ( -6.041 0.000 4.634) 7.614 4.193 ( -3.784 0.000 1.142) 3.952 4.353 ( -4.968 0.000 3.176) 5.897 4.459 ( -1.011 0.000 1.057) 1.463 4.514 ( 1.868 0.000 3.760) 4.198 4.630 ( -5.478 0.000 -0.846) 5.543 4.718 ( -2.491 0.000 -2.273) 3.372 4.853 ( -3.046 0.000 -3.213) 4.428 4.871 ( -0.083 0.000 -0.628) 0.634 5.034 ( -2.579 0.000 -1.927) 3.220 5.134 ( -1.649 0.000 7.732) 7.905 5.176 ( 3.396 0.000 -1.216) 3.607 5.289 ( -3.047 0.000 -1.360) 3.337 5.313 ( 2.996 0.000 -0.760) 3.091 5.422 ( 2.398 0.000 4.807) 5.371 5.444 ( -2.109 0.000 -4.651) 5.107 5.528 ( -4.461 0.000 -8.155) 9.295 5.655 ( 1.336 0.000 -5.682) 5.837 5.697 ( 1.435 0.000 -2.298) 2.709 5.855 ( 3.434 0.000 1.485) 3.741 6.255 ( 0.716 0.000 0.923) 1.168 6.303 ( 2.082 0.000 1.279) 2.443 6.506 ( 8.193 0.000 4.715) 9.452 6.725 ( 1.340 0.000 2.070) 2.465 6.879 ( 7.216 0.000 0.298) 7.223 6.993 ( -2.017 0.000 4.066) 4.539 7.241 ( -0.223 0.000 0.577) 0.619 7.498 ( -4.792 0.000 -10.069) 11.151 7.595 ( -3.046 0.000 -3.854) 4.912 7.927 ( -1.624 0.000 0.022) 1.624 8.073 ( 1.757 0.000 -3.736) 4.129 8.273 ( 3.394 0.000 -4.759) 5.846 8.401 ( 0.751 0.000 -23.964) 23.976 8.689 ( -6.085 0.000 13.122) 14.464 9.305 ( -1.343 0.000 -4.311) 4.516 9.369 ( 0.931 0.000 -0.092) 0.935 9.795 ( 2.052 0.000 8.982) 9.213 9.974 ( -4.763 0.000 2.787) 5.519 10.536 ( 0.355 0.000 4.849) 4.862 10.607 ( 5.263 0.000 2.139) 5.681 11.693 ( 0.030 0.000 -1.402) 1.403 11.746 ( 5.852 0.000 -2.060) 6.204 12.265 ( 0.935 0.000 0.625) 1.125 12.469 ( 3.401 0.000 2.419) 4.174 12.999 ( 3.647 0.000 1.512) 3.948 13.139 ( 3.500 0.000 1.215) 3.705 13.688 ( 0.288 0.000 1.417) 1.446 14.168 ( -7.818 0.000 17.026) 18.735 14.223 ( -2.031 0.000 9.628) 9.840 14.511 ( 2.114 0.000 -16.534) 16.669 15.392 ( -5.321 0.000 -5.774) 7.852 15.587 ( -2.653 0.000 -4.628) 5.334 15.838 ( -14.001 0.000 18.740) 23.393 16.023 ( -1.001 0.000 3.125) 3.281 19.325 ( -0.770 0.000 -2.462) 2.579 19.436 ( -1.575 0.000 2.160) 2.673 24.668 ( -2.034 0.000 0.470) 2.087 24.764 ( -3.120 0.000 0.646) 3.187 25.380 ( 1.128 0.000 -1.065) 1.551 25.960 ( -1.877 0.000 -11.514) 11.666 26.178 ( 4.584 0.000 2.212) 5.090 26.335 ( 7.456 0.000 7.973) 10.916 27.129 ( 7.515 0.000 -0.714) 7.548 27.857 ( 12.343 0.000 -40.835) 42.660 28.690 ( -1.889 0.000 -4.628) 4.999 28.957 ( -1.409 0.000 4.630) 4.839 29.030 ( 1.582 0.000 8.481) 8.627 30.400 ( -11.642 0.000 17.060) 20.654 31.170 ( -0.824 0.000 1.997) 2.161 31.404 ( -7.962 0.000 14.450) 16.499 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 25.475 0.000 4.577) 25.883 1.179 ( 28.146 0.000 2.077) 28.222 1.919 ( 23.582 0.000 10.629) 25.867 2.050 ( 11.021 0.000 0.088) 11.022 2.224 ( 15.218 0.000 4.066) 15.752 2.271 ( 1.376 0.000 4.318) 4.532 2.463 ( 5.326 0.000 -0.168) 5.329 2.604 ( 5.540 0.000 3.065) 6.331 2.654 ( 2.819 0.000 1.073) 3.016 2.762 ( 6.150 0.000 2.867) 6.786 2.875 ( 1.939 0.000 2.156) 2.899 2.983 ( 3.197 0.000 -2.276) 3.924 3.174 ( 0.226 0.000 -0.827) 0.858 3.200 ( 6.273 0.000 -4.505) 7.723 3.349 ( -3.710 0.000 -3.560) 5.142 3.492 ( -0.006 0.000 2.563) 2.563 3.639 ( -1.702 0.000 -3.238) 3.658 3.742 ( 2.111 0.000 0.435) 2.155 3.828 ( -5.877 0.000 1.200) 5.998 3.929 ( 7.301 0.000 -2.174) 7.617 4.003 ( -4.557 0.000 -0.186) 4.561 4.162 ( -0.933 0.000 2.565) 2.729 4.238 ( -6.737 0.000 -0.940) 6.803 4.423 ( -3.385 0.000 3.390) 4.791 4.509 ( -5.792 0.000 3.774) 6.913 4.593 ( 0.194 0.000 0.569) 0.601 4.674 ( -1.430 0.000 0.907) 1.693 4.772 ( -4.833 0.000 1.976) 5.221 4.814 ( -5.424 0.000 -2.935) 6.167 4.967 ( -2.446 0.000 -2.611) 3.578 5.078 ( -7.388 0.000 -1.647) 7.569 5.164 ( -5.962 0.000 -4.195) 7.290 5.199 ( -3.304 0.000 1.680) 3.707 5.260 ( -2.811 0.000 -3.572) 4.546 5.353 ( -0.212 0.000 -1.469) 1.484 5.482 ( -2.494 0.000 -1.432) 2.876 5.541 ( 6.790 0.000 -1.073) 6.874 5.668 ( 5.437 0.000 -0.996) 5.527 5.787 ( 5.231 0.000 2.327) 5.725 5.970 ( 6.658 0.000 3.034) 7.316 6.311 ( 4.670 0.000 2.392) 5.247 6.355 ( 2.530 0.000 0.281) 2.546 6.633 ( 3.233 0.000 2.927) 4.361 6.744 ( -2.212 0.000 2.811) 3.576 6.970 ( -0.186 0.000 1.928) 1.937 7.104 ( 11.119 0.000 0.132) 11.120 7.232 ( 0.055 0.000 -1.084) 1.085 7.328 ( -6.411 0.000 -8.095) 10.326 7.479 ( -4.784 0.000 -3.885) 6.163 7.864 ( -4.105 0.000 -4.110) 5.809 8.096 ( 3.231 0.000 -4.263) 5.350 8.246 ( -2.417 0.000 -13.576) 13.790 8.308 ( 0.543 0.000 0.173) 0.569 8.637 ( -6.014 0.000 6.424) 8.799 9.267 ( 1.751 0.000 -7.888) 8.080 9.386 ( 1.065 0.000 -0.131) 1.073 9.844 ( -3.532 0.000 7.207) 8.026 9.918 ( -1.753 0.000 2.068) 2.711 10.606 ( 3.640 0.000 4.600) 5.866 10.745 ( 7.094 0.000 2.465) 7.510 11.673 ( -0.327 0.000 2.966) 2.983 11.891 ( 6.838 0.000 2.161) 7.171 12.311 ( 4.905 0.000 -1.949) 5.278 12.559 ( 5.726 0.000 -2.633) 6.303 13.108 ( 6.542 0.000 1.658) 6.748 13.237 ( 5.642 0.000 1.396) 5.812 13.701 ( 0.079 0.000 1.204) 1.207 14.118 ( -4.585 0.000 4.283) 6.274 14.240 ( -2.229 0.000 6.733) 7.093 14.423 ( -3.775 0.000 -5.036) 6.294 15.217 ( -8.079 0.000 -7.796) 11.227 15.420 ( -10.014 0.000 -11.153) 14.989 15.707 ( -9.220 0.000 13.611) 16.439 16.020 ( -3.234 0.000 7.495) 8.163 19.290 ( -0.768 0.000 -3.318) 3.405 19.407 ( -3.001 0.000 2.292) 3.776 24.626 ( -2.671 0.000 0.759) 2.776 24.698 ( -4.090 0.000 0.710) 4.151 25.394 ( 1.093 0.000 -1.363) 1.747 25.844 ( -3.837 0.000 -6.497) 7.545 26.332 ( 8.731 0.000 4.549) 9.845 26.547 ( 8.565 0.000 10.280) 13.381 27.297 ( 10.506 0.000 -2.533) 10.807 27.811 ( 3.837 0.000 -21.690) 22.026 28.617 ( -2.044 0.000 -6.001) 6.340 28.973 ( 0.944 0.000 1.590) 1.849 29.120 ( 3.448 0.000 4.189) 5.425 30.255 ( -10.448 0.000 4.447) 11.355 31.165 ( -1.356 0.000 3.081) 3.366 31.336 ( -6.606 0.000 8.029) 10.398 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 20.441 0.000 4.246) 20.877 1.679 ( 23.947 0.000 -0.071) 23.947 2.101 ( 1.282 0.000 2.071) 2.435 2.183 ( 5.620 0.000 -2.552) 6.173 2.371 ( 3.278 0.000 6.063) 6.892 2.534 ( 4.930 0.000 1.256) 5.087 2.568 ( 6.424 0.000 3.127) 7.145 2.699 ( 2.921 0.000 3.481) 4.545 2.803 ( 11.797 0.000 1.543) 11.897 2.902 ( 5.116 0.000 4.729) 6.967 2.968 ( 6.571 0.000 0.158) 6.573 3.043 ( -0.063 0.000 0.940) 0.942 3.133 ( 0.011 0.000 -7.676) 7.676 3.317 ( 5.541 0.000 1.402) 5.715 3.339 ( 4.712 0.000 1.901) 5.081 3.520 ( 1.463 0.000 0.168) 1.472 3.585 ( -2.144 0.000 -1.348) 2.533 3.689 ( -6.284 0.000 0.597) 6.312 3.815 ( -0.017 0.000 2.344) 2.344 3.942 ( 2.678 0.000 -0.373) 2.704 4.055 ( 5.302 0.000 -1.541) 5.522 4.098 ( -5.245 0.000 1.222) 5.386 4.197 ( 0.307 0.000 2.007) 2.030 4.390 ( -2.232 0.000 -1.730) 2.824 4.428 ( -5.220 0.000 2.445) 5.764 4.518 ( -4.180 0.000 -3.835) 5.673 4.546 ( -10.235 0.000 3.546) 10.831 4.716 ( -3.724 0.000 2.781) 4.648 4.797 ( -10.821 0.000 -4.114) 11.577 4.810 ( 3.397 0.000 3.301) 4.737 4.956 ( -2.358 0.000 -2.276) 3.277 5.101 ( -3.817 0.000 -0.554) 3.857 5.155 ( 2.148 0.000 -1.535) 2.640 5.231 ( -2.931 0.000 4.044) 4.994 5.325 ( -0.148 0.000 -1.479) 1.486 5.380 ( -5.321 0.000 -0.436) 5.339 5.684 ( 8.010 0.000 -3.188) 8.621 5.788 ( 5.169 0.000 2.160) 5.602 5.875 ( 2.992 0.000 1.803) 3.494 6.112 ( 5.243 0.000 2.353) 5.746 6.409 ( 3.366 0.000 0.622) 3.423 6.439 ( 6.321 0.000 1.551) 6.509 6.643 ( -6.317 0.000 2.267) 6.711 6.715 ( 1.547 0.000 1.415) 2.097 6.967 ( -0.534 0.000 -4.349) 4.381 7.123 ( -3.498 0.000 -7.192) 7.997 7.192 ( -3.282 0.000 -2.247) 3.978 7.263 ( -0.243 0.000 -0.832) 0.866 7.495 ( 7.803 0.000 -0.039) 7.803 7.724 ( -6.175 0.000 -7.031) 9.358 8.129 ( 2.175 0.000 -2.977) 3.687 8.146 ( -3.258 0.000 -0.754) 3.344 8.311 ( 2.354 0.000 -6.247) 6.676 8.559 ( -5.989 0.000 5.626) 8.217 9.272 ( 3.412 0.000 -6.313) 7.176 9.417 ( 2.457 0.000 0.269) 2.472 9.803 ( -3.220 0.000 3.210) 4.546 9.895 ( -2.680 0.000 1.520) 3.081 10.714 ( 4.744 0.000 3.284) 5.769 10.872 ( 4.514 0.000 1.642) 4.804 11.736 ( 2.864 0.000 8.265) 8.747 11.998 ( 2.839 0.000 3.012) 4.139 12.423 ( 7.867 0.000 -2.731) 8.328 12.639 ( 5.113 0.000 -4.449) 6.777 13.252 ( 7.593 0.000 0.802) 7.635 13.353 ( 5.695 0.000 0.499) 5.717 13.703 ( -0.095 0.000 -0.765) 0.771 14.058 ( -2.682 0.000 -0.877) 2.822 14.208 ( -4.067 0.000 1.617) 4.376 14.329 ( -5.613 0.000 4.826) 7.402 15.013 ( -8.122 0.000 -7.143) 10.816 15.130 ( -12.168 0.000 -9.307) 15.319 15.654 ( -4.937 0.000 9.788) 10.962 15.995 ( -3.864 0.000 6.026) 7.158 19.260 ( -0.098 0.000 -3.344) 3.345 19.356 ( -3.629 0.000 1.740) 4.025 24.585 ( -2.048 0.000 0.672) 2.155 24.630 ( -3.467 0.000 0.765) 3.550 25.401 ( 0.491 0.000 -1.079) 1.186 25.743 ( -3.328 0.000 -3.570) 4.881 26.541 ( 9.453 0.000 5.776) 11.078 26.769 ( 7.294 0.000 11.134) 13.311 27.458 ( 8.583 0.000 -4.879) 9.873 27.729 ( 0.126 0.000 -15.312) 15.312 28.546 ( -1.524 0.000 -5.085) 5.308 29.006 ( 1.385 0.000 1.041) 1.733 29.209 ( 4.016 0.000 1.642) 4.338 30.088 ( -8.555 0.000 0.731) 8.586 31.159 ( -1.262 0.000 2.910) 3.172 31.266 ( -5.127 0.000 5.154) 7.270 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 13.558 0.000 3.584) 14.024 2.055 ( 16.009 0.000 -2.486) 16.201 2.122 ( -0.422 0.000 2.962) 2.992 2.243 ( 2.182 0.000 -0.912) 2.364 2.407 ( -1.570 0.000 2.466) 2.923 2.545 ( -1.725 0.000 -2.398) 2.955 2.720 ( 6.150 0.000 2.580) 6.669 2.780 ( 2.494 0.000 1.512) 2.917 2.916 ( 1.175 0.000 -1.119) 1.622 3.002 ( 2.193 0.000 4.355) 4.876 3.024 ( 1.925 0.000 1.017) 2.177 3.094 ( 5.904 0.000 -1.801) 6.172 3.176 ( 5.717 0.000 -1.351) 5.874 3.355 ( -0.698 0.000 3.520) 3.589 3.430 ( 0.147 0.000 -1.503) 1.510 3.492 ( -3.350 0.000 -3.896) 5.139 3.561 ( -0.320 0.000 2.736) 2.755 3.612 ( -1.926 0.000 1.604) 2.507 3.824 ( 2.844 0.000 0.347) 2.866 3.943 ( -3.847 0.000 -2.725) 4.714 4.118 ( 0.727 0.000 -0.968) 1.211 4.140 ( 3.441 0.000 1.651) 3.816 4.189 ( -0.412 0.000 0.936) 1.022 4.252 ( -4.921 0.000 -2.505) 5.522 4.337 ( -4.952 0.000 2.153) 5.399 4.494 ( -0.315 0.000 0.648) 0.721 4.511 ( -1.192 0.000 10.255) 10.325 4.568 ( -2.579 0.000 -8.932) 9.297 4.716 ( -1.365 0.000 2.436) 2.792 4.859 ( -1.258 0.000 -0.947) 1.575 4.920 ( -1.088 0.000 1.249) 1.656 5.050 ( 0.584 0.000 2.817) 2.877 5.156 ( -1.742 0.000 -1.552) 2.333 5.242 ( 0.378 0.000 8.185) 8.193 5.299 ( -3.272 0.000 -1.298) 3.520 5.351 ( 3.042 0.000 -2.774) 4.117 5.752 ( 1.361 0.000 -3.353) 3.619 5.885 ( 3.947 0.000 4.903) 6.294 5.939 ( 3.492 0.000 -3.103) 4.672 6.148 ( -2.546 0.000 0.342) 2.569 6.428 ( -2.950 0.000 -0.925) 3.091 6.533 ( 2.384 0.000 2.559) 3.497 6.599 ( 3.613 0.000 2.098) 4.178 6.776 ( 2.289 0.000 1.067) 2.525 6.897 ( -2.546 0.000 -5.651) 6.198 7.032 ( 0.592 0.000 -5.980) 6.009 7.124 ( -2.165 0.000 -3.517) 4.129 7.239 ( -3.748 0.000 1.228) 3.944 7.582 ( -2.639 0.000 -3.417) 4.318 7.626 ( 3.124 0.000 0.206) 3.131 8.102 ( -1.530 0.000 2.955) 3.328 8.140 ( 0.878 0.000 -3.683) 3.786 8.339 ( 4.522 0.000 -5.912) 7.443 8.487 ( -5.314 0.000 5.176) 7.418 9.305 ( 2.873 0.000 -3.036) 4.180 9.478 ( 3.057 0.000 0.967) 3.207 9.773 ( -1.400 0.000 1.472) 2.032 9.841 ( -3.067 0.000 -0.430) 3.097 10.806 ( 3.187 0.000 1.056) 3.358 10.936 ( 1.590 0.000 1.250) 2.023 11.852 ( 3.104 0.000 7.421) 8.044 12.046 ( 0.966 0.000 1.439) 1.733 12.538 ( 4.798 0.000 -0.667) 4.844 12.693 ( 3.501 0.000 -3.942) 5.272 13.384 ( 5.616 0.000 -0.508) 5.639 13.448 ( 4.034 0.000 0.805) 4.114 13.681 ( -1.100 0.000 -3.151) 3.337 14.014 ( -0.587 0.000 -2.907) 2.966 14.142 ( -3.309 0.000 2.464) 4.126 14.271 ( -4.345 0.000 5.603) 7.090 14.844 ( -5.196 0.000 -4.681) 6.993 14.889 ( -7.978 0.000 -4.824) 9.323 15.635 ( -2.331 0.000 5.227) 5.723 15.960 ( -2.665 0.000 3.156) 4.130 19.247 ( 0.939 0.000 -2.877) 3.026 19.301 ( -3.219 0.000 1.634) 3.610 24.561 ( -0.808 0.000 0.208) 0.834 24.582 ( -2.146 0.000 0.694) 2.255 25.401 ( 0.095 0.000 -0.572) 0.580 25.678 ( -1.837 0.000 -1.591) 2.430 26.736 ( 6.980 0.000 4.785) 8.462 26.940 ( 3.641 0.000 8.437) 9.189 27.546 ( 4.316 0.000 -5.279) 6.819 27.636 ( -1.150 0.000 -9.185) 9.256 28.502 ( -0.560 0.000 -2.628) 2.687 29.030 ( 0.548 0.000 0.506) 0.746 29.287 ( 3.272 0.000 0.548) 3.317 29.959 ( -5.031 0.000 -0.159) 5.034 31.158 ( -0.403 0.000 1.702) 1.749 31.212 ( -3.219 0.000 2.586) 4.129 ======================= Grid point 5 (6/108) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.191 ( -0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 -0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 -0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 -0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 -0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.124 ( -0.000 0.000 -0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 -0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.743 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 -0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.386 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.767 ( -0.000 0.000 -0.000) 0.000 6.844 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.145 ( -0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.125 ( 0.000 0.000 -0.000) 0.000 8.378 ( 0.000 0.000 -0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 9.516 ( 0.000 0.000 0.000) 0.000 9.771 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 10.840 ( 0.000 0.000 0.000) 0.000 10.954 ( 0.000 0.000 0.000) 0.000 11.911 ( 0.000 0.000 0.000) 0.000 12.058 ( 0.000 0.000 0.000) 0.000 12.581 ( 0.000 0.000 0.000) 0.000 12.716 ( 0.000 0.000 0.000) 0.000 13.434 ( 0.000 0.000 0.000) 0.000 13.503 ( 0.000 0.000 -0.000) 0.000 13.645 ( 0.000 0.000 0.000) 0.000 14.001 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 14.794 ( 0.000 0.000 -0.000) 0.000 15.630 ( 0.000 0.000 0.000) 0.000 15.944 ( 0.000 0.000 0.000) 0.000 19.256 ( 0.000 0.000 -0.000) 0.000 19.266 ( -0.000 0.000 0.000) 0.000 24.557 ( 0.000 0.000 0.000) 0.000 24.560 ( 0.000 0.000 -0.000) 0.000 25.400 ( 0.000 0.000 0.000) 0.000 25.656 ( 0.000 0.000 0.000) 0.000 26.826 ( 0.000 0.000 0.000) 0.000 27.000 ( 0.000 0.000 0.000) 0.000 27.568 ( 0.000 0.000 0.000) 0.000 27.590 ( 0.000 0.000 0.000) 0.000 28.489 ( 0.000 0.000 0.000) 0.000 29.036 ( 0.000 0.000 0.000) 0.000 29.323 ( 0.000 0.000 0.000) 0.000 29.909 ( 0.000 0.000 0.000) 0.000 31.163 ( 0.000 0.000 0.000) 0.000 31.185 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 28.228 0.000) 28.228 0.645 ( 0.000 29.438 0.000) 29.438 1.048 ( 0.000 44.670 0.000) 44.670 1.602 ( 0.000 -13.908 0.000) 13.908 1.687 ( 0.000 -16.329 0.000) 16.329 2.268 ( 0.000 -9.038 0.000) 9.038 2.344 ( 0.000 2.021 0.000) 2.021 2.515 ( 0.000 0.560 0.000) 0.560 2.608 ( 0.000 6.043 0.000) 6.043 2.807 ( 0.000 5.437 0.000) 5.437 2.823 ( 0.000 -2.410 0.000) 2.410 3.032 ( 0.000 -1.960 0.000) 1.960 3.042 ( 0.000 -7.314 0.000) 7.314 3.279 ( 0.000 6.523 0.000) 6.523 3.282 ( 0.000 -11.628 0.000) 11.628 3.479 ( 0.000 -2.820 0.000) 2.820 3.655 ( 0.000 4.679 0.000) 4.679 3.741 ( 0.000 3.152 0.000) 3.152 3.912 ( 0.000 1.682 0.000) 1.682 4.001 ( 0.000 -3.677 0.000) 3.677 4.035 ( 0.000 2.436 0.000) 2.436 4.229 ( 0.000 -6.889 0.000) 6.889 4.249 ( 0.000 1.593 0.000) 1.593 4.492 ( 0.000 -4.881 0.000) 4.881 4.547 ( 0.000 5.268 0.000) 5.268 4.625 ( 0.000 0.648 0.000) 0.648 4.855 ( 0.000 0.800 0.000) 0.800 4.891 ( 0.000 0.197 0.000) 0.197 4.913 ( 0.000 -1.441 0.000) 1.441 5.025 ( 0.000 -4.020 0.000) 4.020 5.137 ( 0.000 2.802 0.000) 2.802 5.184 ( 0.000 1.736 0.000) 1.736 5.267 ( 0.000 1.881 0.000) 1.881 5.308 ( 0.000 0.650 0.000) 0.650 5.437 ( 0.000 -1.666 0.000) 1.666 5.499 ( 0.000 -4.247 0.000) 4.247 5.518 ( 0.000 1.717 0.000) 1.717 5.664 ( 0.000 -5.651 0.000) 5.651 5.768 ( 0.000 1.306 0.000) 1.306 5.823 ( 0.000 -0.547 0.000) 0.547 6.299 ( 0.000 3.715 0.000) 3.715 6.347 ( 0.000 1.025 0.000) 1.025 6.426 ( 0.000 -0.872 0.000) 0.872 6.459 ( 0.000 3.664 0.000) 3.664 6.656 ( 0.000 -1.680 0.000) 1.680 6.836 ( 0.000 -3.751 0.000) 3.751 7.082 ( 0.000 5.978 0.000) 5.978 7.248 ( 0.000 -0.738 0.000) 0.738 7.621 ( 0.000 -0.030 0.000) 0.030 7.630 ( 0.000 0.089 0.000) 0.089 8.066 ( 0.000 -0.107 0.000) 0.107 8.176 ( 0.000 -5.394 0.000) 5.394 8.777 ( 0.000 10.967 0.000) 10.967 9.210 ( 0.000 -7.046 0.000) 7.046 9.343 ( 0.000 1.183 0.000) 1.183 9.389 ( 0.000 -0.177 0.000) 0.177 9.875 ( 0.000 1.711 0.000) 1.711 9.970 ( 0.000 -1.777 0.000) 1.777 10.512 ( 0.000 -0.236 0.000) 0.236 10.525 ( 0.000 -0.662 0.000) 0.662 11.669 ( 0.000 0.677 0.000) 0.677 11.710 ( 0.000 -0.935 0.000) 0.935 12.308 ( 0.000 0.470 0.000) 0.470 12.328 ( 0.000 -0.318 0.000) 0.318 12.977 ( 0.000 1.781 0.000) 1.781 13.080 ( 0.000 -2.155 0.000) 2.155 14.067 ( 0.000 0.781 0.000) 0.781 14.102 ( 0.000 -0.530 0.000) 0.530 14.336 ( 0.000 2.282 0.000) 2.282 14.440 ( 0.000 -1.635 0.000) 1.635 15.527 ( 0.000 1.272 0.000) 1.272 15.598 ( 0.000 -1.386 0.000) 1.386 15.868 ( 0.000 1.476 0.000) 1.476 15.950 ( 0.000 -1.652 0.000) 1.652 19.346 ( 0.000 1.914 0.000) 1.914 19.451 ( 0.000 -2.083 0.000) 2.083 24.754 ( 0.000 0.531 0.000) 0.531 24.786 ( 0.000 -0.705 0.000) 0.705 25.870 ( 0.000 0.582 0.000) 0.582 25.902 ( 0.000 -0.657 0.000) 0.657 26.205 ( 0.000 1.109 0.000) 1.109 26.257 ( 0.000 -0.840 0.000) 0.840 27.067 ( 0.000 0.461 0.000) 0.461 27.092 ( 0.000 -0.481 0.000) 0.481 28.803 ( 0.000 0.185 0.000) 0.185 28.813 ( 0.000 -0.184 0.000) 0.184 29.832 ( 0.000 2.596 0.000) 2.596 29.965 ( 0.000 -2.478 0.000) 2.478 31.417 ( 0.000 0.437 0.000) 0.437 31.440 ( 0.000 -0.430 0.000) 0.430 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 16.887 20.788 6.597) 27.583 0.879 ( 21.180 21.020 2.924) 29.984 1.424 ( 29.262 22.768 8.740) 38.093 1.713 ( 9.086 -12.620 3.851) 16.021 1.779 ( 10.667 -11.958 1.911) 16.138 2.290 ( 1.588 -2.301 1.946) 3.406 2.391 ( 5.744 -2.070 -0.532) 6.129 2.483 ( -1.408 2.623 -0.213) 2.984 2.627 ( 2.290 4.238 -1.100) 4.941 2.783 ( -1.252 3.980 -0.671) 4.225 2.855 ( 2.349 -0.613 -0.338) 2.451 2.984 ( -0.614 -0.772 -1.770) 2.026 3.099 ( 2.361 -5.579 1.700) 6.292 3.234 ( 0.711 6.475 -1.863) 6.775 3.323 ( 1.916 -10.661 0.620) 10.850 3.462 ( -1.643 0.797 -4.939) 5.266 3.644 ( 2.558 -0.044 -0.438) 2.596 3.715 ( -2.570 2.165 -1.848) 3.835 3.881 ( -0.860 1.615 0.070) 1.831 3.962 ( -1.336 3.178 -1.035) 3.600 4.043 ( -4.225 -3.374 1.686) 5.664 4.166 ( -3.404 -4.849 0.987) 6.006 4.299 ( 0.810 0.426 1.769) 1.992 4.479 ( -4.983 2.987 4.671) 7.455 4.542 ( -0.591 -0.817 5.917) 6.003 4.662 ( 1.243 -2.850 -1.693) 3.541 4.771 ( -5.420 4.967 0.285) 7.357 4.838 ( -3.660 0.445 -2.025) 4.206 4.900 ( -2.017 1.977 -1.395) 3.150 5.015 ( 0.399 -2.831 -1.784) 3.370 5.108 ( -3.911 1.403 1.537) 4.430 5.160 ( -1.066 -0.359 0.476) 1.222 5.238 ( -1.633 -1.920 0.740) 2.627 5.326 ( -3.063 -3.157 -2.045) 4.851 5.401 ( 1.735 -0.435 -2.745) 3.276 5.443 ( -0.084 -0.178 -2.740) 2.747 5.551 ( -1.546 0.264 -6.112) 6.311 5.597 ( 0.899 -3.554 -2.678) 4.540 5.732 ( 0.746 3.306 -0.478) 3.422 5.848 ( 2.600 -0.990 -0.140) 2.785 6.311 ( 2.724 4.101 0.840) 4.994 6.369 ( 0.577 4.931 0.801) 5.029 6.527 ( 7.092 0.716 4.425) 8.390 6.653 ( 1.849 -5.015 4.296) 6.857 6.823 ( 10.530 -3.753 -0.140) 11.180 7.029 ( 2.429 -3.286 5.028) 6.479 7.167 ( 16.192 -9.124 0.411) 18.590 7.266 ( 5.577 -4.663 -1.868) 7.506 7.539 ( -4.525 0.452 -5.084) 6.821 7.599 ( -4.086 -1.083 -0.762) 4.295 8.076 ( 1.262 0.049 -0.663) 1.426 8.192 ( 0.843 -5.365 2.009) 5.790 8.704 ( -6.474 11.169 -5.572) 14.061 8.980 ( -15.201 6.141 -8.199) 18.330 9.307 ( -0.572 0.577 -5.848) 5.904 9.354 ( 1.393 -1.002 -4.066) 4.414 9.854 ( -1.165 4.275 8.168) 9.293 9.998 ( -3.558 -0.156 5.367) 6.441 10.542 ( 2.632 0.752 2.861) 3.959 10.596 ( 5.341 -1.107 1.729) 5.722 11.692 ( 1.455 0.093 -1.845) 2.352 11.722 ( 4.335 -1.406 -2.385) 5.143 12.295 ( 0.596 2.414 1.100) 2.719 12.411 ( 4.511 -3.228 2.839) 6.231 13.024 ( 4.045 1.791 1.486) 4.667 13.117 ( 3.580 -1.954 1.166) 4.242 13.902 ( -6.536 10.959 -4.262) 13.452 14.134 ( -5.166 -2.912 13.576) 14.815 14.271 ( -3.048 4.165 3.376) 6.167 14.463 ( 1.726 -3.834 -9.994) 10.843 15.438 ( -6.447 3.337 -6.043) 9.445 15.564 ( -3.430 -2.102 -4.112) 5.752 15.832 ( -9.846 0.047 13.246) 16.505 15.931 ( 0.088 -4.928 0.679) 4.976 19.340 ( -0.860 1.641 -0.474) 1.912 19.429 ( -2.005 -1.323 1.107) 2.645 24.709 ( -3.582 1.832 0.052) 4.024 24.756 ( -3.029 -0.732 0.371) 3.138 25.600 ( -9.565 12.618 -3.099) 16.134 25.905 ( -2.137 -4.379 -8.016) 9.381 26.225 ( 3.289 3.275 2.344) 5.200 26.324 ( 6.337 -1.155 6.934) 9.464 27.153 ( 8.953 2.441 -0.848) 9.319 27.472 ( 22.253 -17.907 -9.314) 30.043 28.729 ( -3.413 1.797 -6.398) 7.471 28.799 ( -1.324 -2.941 -1.207) 3.444 29.546 ( -8.371 21.476 -3.183) 23.269 30.164 ( -0.512 -14.374 11.775) 18.588 31.300 ( -6.103 5.785 -2.610) 8.805 31.398 ( -6.960 -0.680 10.169) 12.341 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 19.948 12.808 5.838) 24.414 1.336 ( 24.657 13.615 1.271) 28.195 1.863 ( 10.592 -12.080 1.767) 16.163 1.950 ( 12.850 -9.039 3.597) 16.117 2.138 ( 18.661 2.805 6.937) 20.105 2.351 ( 2.968 0.738 2.853) 4.182 2.470 ( 4.409 1.576 1.241) 4.844 2.576 ( 7.724 -1.212 3.863) 8.720 2.683 ( 4.572 3.426 1.616) 5.938 2.766 ( 0.554 0.635 -0.367) 0.919 2.889 ( 1.824 0.900 0.736) 2.163 3.047 ( 7.495 3.759 0.626) 8.408 3.129 ( 1.079 -3.789 -1.097) 4.089 3.277 ( 3.798 6.043 -1.688) 7.335 3.354 ( -0.152 -1.784 -1.010) 2.056 3.432 ( 3.029 -2.569 -0.909) 4.075 3.626 ( -3.510 0.110 -2.790) 4.485 3.707 ( 1.092 -1.886 0.762) 2.308 3.875 ( -3.448 0.712 3.618) 5.048 3.934 ( 3.484 1.589 -4.648) 6.022 3.962 ( -4.052 -2.699 -0.140) 4.871 4.126 ( -0.804 -3.897 0.514) 4.012 4.287 ( -3.371 5.001 1.864) 6.313 4.426 ( -3.300 1.225 5.053) 6.158 4.533 ( -4.894 -0.153 6.189) 7.892 4.627 ( -4.238 -1.351 0.003) 4.449 4.715 ( -2.132 4.114 -0.123) 4.636 4.728 ( -4.470 -0.385 -0.385) 4.503 4.841 ( -4.662 2.693 -4.216) 6.838 4.977 ( -1.317 0.726 -2.758) 3.142 5.029 ( -7.130 -3.965 -4.567) 9.349 5.098 ( -2.526 -4.307 0.534) 5.021 5.181 ( -4.440 -1.719 0.847) 4.836 5.253 ( -0.882 -1.653 0.396) 1.915 5.360 ( -3.682 0.953 -4.154) 5.632 5.449 ( -2.348 -2.504 -0.768) 3.518 5.555 ( 5.307 1.037 -2.424) 5.926 5.631 ( 6.323 -2.959 -2.431) 7.393 5.810 ( 5.161 2.392 2.751) 6.319 5.931 ( 5.033 -2.657 2.919) 6.397 6.370 ( 2.340 3.248 1.496) 4.273 6.414 ( 3.122 5.419 1.947) 6.550 6.626 ( 1.662 -1.481 2.634) 3.449 6.712 ( 1.216 -1.329 3.092) 3.578 7.002 ( 3.804 -0.969 0.563) 3.965 7.033 ( 2.321 -1.214 -1.147) 2.860 7.272 ( 3.986 1.282 -2.533) 4.893 7.337 ( -3.760 0.322 -6.084) 7.159 7.467 ( -3.382 -1.759 -2.051) 4.329 7.593 ( 7.584 -11.642 -1.280) 13.953 8.099 ( 1.851 0.085 -1.820) 2.597 8.219 ( 0.045 -5.482 1.724) 5.746 8.480 ( -9.144 12.699 -10.323) 18.747 8.723 ( -9.896 3.150 -1.303) 10.467 9.282 ( 2.489 1.592 -7.084) 7.675 9.372 ( 2.278 -1.452 -2.596) 3.747 9.864 ( -4.028 2.273 7.452) 8.770 9.944 ( -4.015 0.899 3.394) 5.334 10.632 ( 4.497 2.328 3.392) 6.095 10.730 ( 6.846 -1.475 2.302) 7.371 11.698 ( 0.803 2.258 2.799) 3.685 11.843 ( 6.145 -3.896 2.418) 7.667 12.345 ( 4.947 3.073 -1.806) 6.097 12.512 ( 5.713 -3.776 -1.792) 7.079 13.135 ( 6.560 2.034 1.316) 6.993 13.219 ( 5.997 -1.590 1.336) 6.347 13.810 ( -2.858 8.812 0.169) 9.266 14.095 ( -4.914 -2.845 5.250) 7.733 14.252 ( -1.972 1.760 2.895) 3.921 14.393 ( -3.740 -2.889 -3.714) 6.011 15.243 ( -8.845 2.420 -8.077) 12.220 15.385 ( -10.310 -3.029 -9.940) 14.638 15.737 ( -7.197 2.830 11.450) 13.817 15.944 ( -2.311 -6.053 7.700) 10.063 19.309 ( -1.303 1.734 -2.019) 2.963 19.393 ( -2.846 -1.407 1.500) 3.512 24.644 ( -3.353 1.355 0.560) 3.660 24.690 ( -3.992 -0.701 0.603) 4.097 25.492 ( -2.027 8.062 -2.277) 8.619 25.796 ( -4.026 -4.541 -5.577) 8.242 26.368 ( 8.372 3.165 5.177) 10.339 26.518 ( 8.372 -2.679 9.261) 12.769 27.339 ( 10.991 4.129 -3.055) 12.132 27.674 ( 8.909 -10.603 -13.681) 19.467 28.634 ( -2.353 1.522 -5.976) 6.601 28.777 ( 0.301 -7.330 -0.834) 7.383 29.471 ( -1.260 19.875 1.503) 19.972 30.125 ( -6.945 -11.140 4.001) 13.723 31.215 ( -3.519 3.726 2.495) 5.700 31.324 ( -6.238 -1.199 6.583) 9.148 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 17.701 6.916 4.736) 19.585 1.780 ( 21.666 9.004 -0.853) 23.478 1.998 ( 4.784 -8.284 0.593) 9.585 2.173 ( 8.643 -3.206 -0.449) 9.230 2.360 ( 4.504 -1.731 4.703) 6.738 2.452 ( 4.321 -4.670 3.298) 7.166 2.556 ( 3.265 0.344 3.241) 4.613 2.693 ( 1.854 -2.690 5.295) 6.222 2.801 ( 3.785 0.164 3.292) 5.019 2.855 ( 7.419 -1.651 -0.081) 7.601 2.969 ( 5.891 2.102 -0.367) 6.265 3.099 ( 1.040 -2.287 -4.217) 4.909 3.204 ( 1.089 7.831 0.703) 7.938 3.342 ( 3.134 1.153 -0.753) 3.423 3.388 ( 6.493 4.697 0.730) 8.047 3.489 ( 1.089 -1.128 1.565) 2.215 3.563 ( -1.031 -0.783 -2.578) 2.884 3.676 ( -4.019 -1.938 -0.444) 4.484 3.819 ( -3.292 0.337 0.703) 3.383 3.956 ( 3.927 -0.294 3.227) 5.091 4.013 ( 5.488 -0.752 -2.266) 5.985 4.129 ( -1.082 0.187 1.200) 1.627 4.228 ( -1.874 4.122 0.901) 4.617 4.405 ( -2.682 0.783 1.680) 3.260 4.438 ( -6.491 0.232 0.656) 6.529 4.499 ( -9.188 -2.275 1.624) 9.604 4.614 ( -4.915 3.405 1.970) 6.296 4.695 ( -3.248 2.051 -1.480) 4.117 4.775 ( -0.211 -2.258 0.963) 2.464 4.849 ( -3.733 1.208 -3.303) 5.129 4.964 ( -1.198 1.458 -1.027) 2.149 5.090 ( -1.971 -0.400 -0.379) 2.046 5.120 ( -0.096 -3.125 3.029) 4.353 5.229 ( -4.125 0.614 -0.740) 4.236 5.289 ( -0.219 -3.636 -0.132) 3.645 5.343 ( -5.478 -3.311 -0.551) 6.425 5.682 ( 7.759 0.490 -3.171) 8.397 5.764 ( 7.459 -2.425 -0.790) 7.883 5.900 ( 1.986 2.586 3.553) 4.823 6.058 ( 5.079 -4.180 3.508) 7.455 6.418 ( 2.400 1.361 0.701) 2.847 6.486 ( 2.101 1.868 1.744) 3.309 6.624 ( -2.952 0.342 1.664) 3.406 6.736 ( 0.716 0.063 0.868) 1.126 6.988 ( -1.324 1.749 -4.608) 5.103 7.052 ( -0.606 -3.936 -5.887) 7.108 7.206 ( -2.487 1.662 -3.417) 4.541 7.297 ( -2.033 0.243 -1.037) 2.295 7.513 ( 7.038 2.044 0.995) 7.396 7.659 ( 0.385 -4.601 -3.275) 5.661 8.119 ( 1.801 -0.505 -2.838) 3.399 8.174 ( -4.854 -0.813 -0.329) 4.933 8.341 ( 0.186 5.501 -5.235) 7.596 8.560 ( -7.021 -1.168 0.357) 7.126 9.304 ( 3.713 2.722 -5.265) 6.994 9.406 ( 2.857 -1.195 -1.501) 3.441 9.819 ( -3.804 1.531 3.828) 5.610 9.890 ( -3.809 -0.725 2.005) 4.365 10.741 ( 4.756 2.458 2.649) 5.973 10.853 ( 4.580 -1.755 1.648) 5.174 11.771 ( 2.883 3.155 7.807) 8.900 11.952 ( 3.044 -4.016 4.169) 6.541 12.450 ( 7.341 2.498 -3.134) 8.363 12.598 ( 5.329 -3.484 -4.032) 7.536 13.275 ( 7.413 1.775 0.173) 7.624 13.342 ( 6.170 -1.042 0.312) 6.265 13.771 ( -1.463 6.150 -0.755) 6.366 14.030 ( -3.180 -3.172 -0.906) 4.582 14.213 ( -3.840 0.835 1.898) 4.364 14.303 ( -5.316 -2.337 3.936) 7.015 15.025 ( -8.630 1.255 -7.195) 11.306 15.109 ( -11.474 -1.895 -8.684) 14.514 15.698 ( -4.300 4.060 8.946) 10.724 15.935 ( -3.321 -5.261 6.515) 9.008 19.274 ( -0.742 1.351 -2.468) 2.910 19.343 ( -3.208 -1.252 1.033) 3.595 24.593 ( -2.390 0.706 0.604) 2.564 24.624 ( -3.321 -0.532 0.694) 3.434 25.458 ( -0.732 5.067 -1.457) 5.323 25.698 ( -3.242 -4.205 -3.174) 6.186 26.576 ( 9.224 3.172 6.442) 11.690 26.737 ( 7.756 -2.995 10.152) 13.122 27.493 ( 7.837 3.279 -5.632) 10.193 27.684 ( 2.185 -4.012 -12.893) 13.678 28.566 ( -1.161 2.070 -4.456) 5.049 28.801 ( 2.147 -10.505 0.145) 10.723 29.475 ( 0.429 16.172 0.960) 16.207 30.004 ( -6.753 -7.774 0.786) 10.328 31.181 ( -2.176 1.881 2.914) 4.095 31.255 ( -4.751 -1.071 4.588) 6.691 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 12.166 3.564 3.714) 13.210 2.076 ( 3.165 -2.691 0.974) 4.267 2.114 ( 14.035 4.534 -2.170) 14.908 2.270 ( 2.743 1.086 -0.079) 2.951 2.404 ( -1.799 0.081 2.572) 3.139 2.500 ( -0.713 -3.533 -0.036) 3.604 2.676 ( 6.116 -3.236 1.445) 7.069 2.755 ( 1.658 -3.632 2.511) 4.716 2.884 ( 2.903 -0.528 4.998) 5.804 2.968 ( 5.132 -1.767 0.688) 5.471 3.038 ( 2.993 0.243 -2.621) 3.986 3.139 ( 3.897 -0.873 -0.903) 4.094 3.177 ( -2.091 3.402 -1.180) 4.164 3.355 ( -1.458 -1.518 1.648) 2.674 3.429 ( -2.155 1.497 -0.704) 2.717 3.501 ( -1.839 1.807 -3.296) 4.185 3.552 ( -0.206 -1.123 2.846) 3.067 3.601 ( -0.768 -1.165 -2.515) 2.876 3.826 ( 3.464 2.082 0.815) 4.122 3.982 ( -3.707 -0.530 -0.655) 3.801 4.084 ( 2.899 -0.373 -1.939) 3.507 4.124 ( 0.143 -1.576 -0.753) 1.753 4.225 ( -2.024 2.674 1.897) 3.853 4.292 ( -5.794 1.224 0.336) 5.932 4.372 ( -0.571 3.095 2.457) 3.993 4.449 ( 0.014 0.306 5.039) 5.048 4.569 ( -1.638 2.280 2.031) 3.465 4.606 ( -1.997 2.618 -3.243) 4.621 4.765 ( 0.072 3.342 -0.554) 3.389 4.853 ( -0.617 -0.074 0.249) 0.669 4.943 ( -1.031 2.476 2.579) 3.720 5.037 ( 0.379 -0.699 -0.017) 0.795 5.134 ( -3.297 -2.409 0.840) 4.169 5.196 ( 0.436 -4.355 5.616) 7.120 5.266 ( -1.135 -1.972 -1.214) 2.579 5.318 ( 2.170 -2.871 -1.846) 4.045 5.760 ( 2.331 1.170 -2.910) 3.908 5.873 ( 4.134 -2.338 -0.337) 4.761 5.953 ( 2.443 2.542 1.871) 3.991 6.113 ( -1.320 -3.218 1.847) 3.938 6.437 ( -0.999 1.241 -1.548) 2.222 6.523 ( 0.996 -1.191 4.332) 4.602 6.605 ( 1.782 1.189 0.087) 2.144 6.749 ( -0.306 -3.599 -2.512) 4.399 6.921 ( -1.192 2.512 -3.828) 4.732 6.998 ( 1.006 -1.515 -4.365) 4.729 7.157 ( -2.141 2.191 -2.012) 3.665 7.247 ( -3.977 -0.105 -0.613) 4.026 7.602 ( -0.380 1.753 -1.174) 2.144 7.634 ( 2.297 0.571 -0.387) 2.398 8.108 ( -1.340 0.255 1.004) 1.694 8.132 ( 0.745 -0.662 -2.410) 2.608 8.352 ( 2.990 1.622 -3.658) 4.995 8.465 ( -4.261 -2.070 2.086) 5.176 9.343 ( 2.814 3.172 -2.601) 4.974 9.459 ( 3.001 -1.680 -0.072) 3.440 9.782 ( -1.900 0.749 1.655) 2.629 9.829 ( -3.197 -1.102 0.139) 3.384 10.829 ( 3.018 2.042 0.968) 3.771 10.921 ( 1.856 -1.411 1.136) 2.594 11.877 ( 2.619 2.287 6.816) 7.652 12.013 ( 1.217 -2.941 2.625) 4.126 12.553 ( 4.525 1.447 -1.335) 4.935 12.659 ( 3.636 -2.860 -3.469) 5.782 13.397 ( 5.242 1.073 -1.125) 5.467 13.443 ( 4.334 -0.603 0.021) 4.376 13.737 ( -1.263 5.197 -2.112) 5.750 13.976 ( -1.001 -3.626 -2.565) 4.553 14.155 ( -3.161 1.267 2.570) 4.266 14.245 ( -3.948 -2.276 4.818) 6.632 14.849 ( -5.554 0.495 -4.522) 7.179 14.881 ( -7.491 -0.679 -4.696) 8.867 15.682 ( -2.193 4.306 4.878) 6.866 15.911 ( -2.378 -4.491 3.479) 6.158 19.255 ( 0.282 0.689 -2.183) 2.306 19.293 ( -2.653 -0.758 0.983) 2.928 24.563 ( -1.038 0.270 0.245) 1.100 24.578 ( -1.975 -0.296 0.595) 2.084 25.441 ( -0.379 3.679 -0.711) 3.766 25.637 ( -1.731 -3.786 -1.424) 4.400 26.770 ( 6.721 3.068 5.306) 9.096 26.914 ( 4.404 -2.407 7.841) 9.309 27.558 ( 3.308 1.179 -5.783) 6.765 27.624 ( -0.508 -1.172 -8.634) 8.728 28.535 ( -0.092 3.331 -2.059) 3.918 28.843 ( 1.702 -11.320 0.287) 11.451 29.492 ( 0.795 13.038 0.288) 13.066 29.902 ( -4.063 -5.480 -0.095) 6.822 31.167 ( -0.892 0.868 1.749) 2.147 31.206 ( -2.862 -0.607 2.389) 3.777 ======================= Grid point 16 (12/108) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 0.000 0.536 0.000) 0.536 2.096 ( 0.000 0.372 -0.000) 0.372 2.239 ( -0.000 4.376 0.000) 4.376 2.305 ( 0.000 2.395 0.000) 2.395 2.385 ( 0.000 -0.222 0.000) 0.222 2.466 ( 0.000 -2.760 0.000) 2.760 2.755 ( 0.000 -3.141 -0.000) 3.141 2.756 ( -0.000 -3.759 0.000) 3.759 2.949 ( 0.000 2.090 0.000) 2.090 3.033 ( 0.000 -1.111 0.000) 1.111 3.080 ( 0.000 1.014 0.000) 1.014 3.127 ( 0.000 -3.066 0.000) 3.066 3.184 ( 0.000 -2.163 0.000) 2.163 3.340 ( 0.000 -3.773 0.000) 3.773 3.388 ( 0.000 2.781 0.000) 2.781 3.453 ( 0.000 2.619 0.000) 2.619 3.549 ( 0.000 -2.271 0.000) 2.271 3.605 ( 0.000 -0.834 0.000) 0.834 3.891 ( 0.000 1.353 0.000) 1.353 3.917 ( 0.000 1.374 0.000) 1.374 4.101 ( 0.000 -0.348 0.000) 0.348 4.107 ( 0.000 -0.524 -0.000) 0.524 4.215 ( 0.000 1.127 0.000) 1.127 4.220 ( -0.000 -0.383 0.000) 0.383 4.390 ( 0.000 4.383 -0.000) 4.383 4.470 ( 0.000 4.484 0.000) 4.484 4.573 ( 0.000 2.225 -0.000) 2.225 4.591 ( 0.000 -0.129 0.000) 0.129 4.760 ( 0.000 4.007 0.000) 4.007 4.832 ( 0.000 0.258 0.000) 0.258 4.931 ( 0.000 3.620 0.000) 3.620 5.094 ( 0.000 -2.394 0.000) 2.394 5.107 ( 0.000 -1.451 0.000) 1.451 5.174 ( 0.000 -5.222 0.000) 5.222 5.295 ( 0.000 -1.140 -0.000) 1.140 5.321 ( 0.000 -2.844 0.000) 2.844 5.764 ( 0.000 1.995 0.000) 1.995 5.902 ( 0.000 -3.506 -0.000) 3.506 6.009 ( 0.000 1.980 0.000) 1.980 6.077 ( 0.000 -0.382 0.000) 0.382 6.415 ( 0.000 2.614 0.000) 2.614 6.555 ( 0.000 -2.124 0.000) 2.124 6.653 ( 0.000 -2.026 0.000) 2.026 6.698 ( 0.000 -3.997 0.000) 3.997 6.910 ( 0.000 3.833 0.000) 3.833 7.026 ( 0.000 -2.217 0.000) 2.217 7.141 ( 0.000 1.524 0.000) 1.524 7.150 ( 0.000 0.489 0.000) 0.489 7.589 ( 0.000 3.444 0.000) 3.444 7.662 ( 0.000 0.188 0.000) 0.188 8.109 ( 0.000 -0.176 0.000) 0.176 8.126 ( 0.000 -0.236 -0.000) 0.236 8.380 ( 0.000 0.403 -0.000) 0.403 8.423 ( 0.000 -1.351 0.000) 1.351 9.364 ( 0.000 3.249 0.000) 3.249 9.493 ( 0.000 -2.077 0.000) 2.077 9.773 ( 0.000 0.133 0.000) 0.133 9.790 ( 0.000 -0.681 0.000) 0.681 10.861 ( 0.000 1.856 0.000) 1.856 10.942 ( 0.000 -1.198 0.000) 1.198 11.927 ( 0.000 1.587 0.000) 1.587 12.032 ( 0.000 -2.344 0.000) 2.344 12.591 ( 0.000 1.091 0.000) 1.091 12.684 ( 0.000 -2.636 0.000) 2.636 13.442 ( 0.000 0.769 0.000) 0.769 13.491 ( 0.000 -1.064 -0.000) 1.064 13.711 ( 0.000 5.818 0.000) 5.818 13.961 ( 0.000 -3.815 0.000) 3.815 14.135 ( 0.000 1.256 0.000) 1.256 14.221 ( 0.000 -2.079 0.000) 2.079 14.780 ( 0.000 0.178 0.000) 0.178 14.792 ( 0.000 -0.228 -0.000) 0.228 15.677 ( 0.000 4.285 0.000) 4.285 15.899 ( 0.000 -4.182 0.000) 4.182 19.257 ( 0.000 0.069 0.000) 0.069 19.264 ( 0.000 -0.191 0.000) 0.191 24.557 ( 0.000 -0.004 0.000) 0.004 24.559 ( 0.000 -0.073 -0.000) 0.073 25.435 ( 0.000 3.275 0.000) 3.275 25.616 ( 0.000 -3.617 0.000) 3.617 26.859 ( 0.000 2.910 0.000) 2.910 26.982 ( 0.000 -1.775 0.000) 1.775 27.568 ( 0.000 0.065 0.000) 0.065 27.584 ( 0.000 -0.539 0.000) 0.539 28.529 ( 0.000 3.953 0.000) 3.953 28.860 ( 0.000 -11.266 0.000) 11.266 29.502 ( 0.000 11.679 0.000) 11.679 29.862 ( 0.000 -4.601 0.000) 4.601 31.167 ( 0.000 0.373 0.000) 0.373 31.183 ( 0.000 -0.224 0.000) 0.224 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.000 -24.096 0.000) 24.096 1.124 ( 0.000 24.096 0.000) 24.096 1.211 ( 0.000 -24.583 0.000) 24.583 1.211 ( 0.000 24.583 0.000) 24.583 1.933 ( 0.000 -26.439 0.000) 26.439 1.933 ( 0.000 26.439 0.000) 26.439 2.442 ( 0.000 -6.973 0.000) 6.973 2.442 ( 0.000 6.973 0.000) 6.973 2.717 ( 0.000 -5.341 0.000) 5.341 2.717 ( 0.000 5.341 0.000) 5.341 2.911 ( 0.000 -4.461 0.000) 4.461 2.911 ( 0.000 4.461 0.000) 4.461 3.075 ( 0.000 -6.690 0.000) 6.690 3.075 ( 0.000 6.690 0.000) 6.690 3.404 ( 0.000 -5.008 0.000) 5.008 3.404 ( 0.000 5.008 0.000) 5.008 3.751 ( 0.000 -3.045 0.000) 3.045 3.751 ( 0.000 3.045 0.000) 3.045 3.936 ( 0.000 -1.321 0.000) 1.321 3.936 ( 0.000 1.321 0.000) 1.321 4.109 ( 0.000 -4.841 0.000) 4.841 4.109 ( 0.000 4.841 0.000) 4.841 4.338 ( 0.000 -7.089 0.000) 7.089 4.338 ( 0.000 7.089 0.000) 7.089 4.631 ( 0.000 -1.721 0.000) 1.721 4.631 ( 0.000 1.721 0.000) 1.721 4.890 ( 0.000 -0.926 0.000) 0.926 4.890 ( 0.000 0.926 0.000) 0.926 4.927 ( 0.000 -4.612 0.000) 4.612 4.927 ( 0.000 4.612 0.000) 4.612 5.189 ( 0.000 -1.574 0.000) 1.574 5.189 ( 0.000 1.574 0.000) 1.574 5.310 ( 0.000 -1.203 0.000) 1.203 5.310 ( 0.000 1.203 0.000) 1.203 5.420 ( 0.000 -1.532 0.000) 1.532 5.420 ( 0.000 1.532 0.000) 1.532 5.570 ( 0.000 -3.406 0.000) 3.406 5.570 ( 0.000 3.406 0.000) 3.406 5.799 ( 0.000 -1.504 0.000) 1.504 5.799 ( 0.000 1.504 0.000) 1.504 6.367 ( 0.000 -0.435 0.000) 0.435 6.367 ( 0.000 0.435 0.000) 0.435 6.429 ( 0.000 -3.133 0.000) 3.133 6.429 ( 0.000 3.133 0.000) 3.133 6.729 ( 0.000 -6.145 0.000) 6.145 6.729 ( 0.000 6.145 0.000) 6.145 7.197 ( 0.000 -4.417 0.000) 4.417 7.197 ( 0.000 4.417 0.000) 4.417 7.627 ( 0.000 -0.420 0.000) 0.420 7.627 ( 0.000 0.420 0.000) 0.420 8.088 ( 0.000 -2.665 0.000) 2.665 8.088 ( 0.000 2.665 0.000) 2.665 9.017 ( 0.000 -11.206 0.000) 11.206 9.017 ( 0.000 11.206 0.000) 11.206 9.372 ( 0.000 -1.342 0.000) 1.342 9.372 ( 0.000 1.342 0.000) 1.342 9.922 ( 0.000 -2.594 0.000) 2.594 9.922 ( 0.000 2.594 0.000) 2.594 10.513 ( 0.000 -0.387 0.000) 0.387 10.513 ( 0.000 0.387 0.000) 0.387 11.688 ( 0.000 -1.121 0.000) 1.121 11.688 ( 0.000 1.121 0.000) 1.121 12.319 ( 0.000 -0.514 0.000) 0.514 12.319 ( 0.000 0.514 0.000) 0.514 13.026 ( 0.000 -2.742 0.000) 2.742 13.026 ( 0.000 2.742 0.000) 2.742 14.086 ( 0.000 -0.971 0.000) 0.971 14.086 ( 0.000 0.971 0.000) 0.971 14.392 ( 0.000 -2.793 0.000) 2.793 14.392 ( 0.000 2.793 0.000) 2.793 15.562 ( 0.000 -1.908 0.000) 1.908 15.562 ( 0.000 1.908 0.000) 1.908 15.908 ( 0.000 -2.220 0.000) 2.220 15.908 ( 0.000 2.220 0.000) 2.220 19.397 ( 0.000 -2.824 0.000) 2.824 19.397 ( 0.000 2.824 0.000) 2.824 24.769 ( 0.000 -0.866 0.000) 0.866 24.769 ( 0.000 0.866 0.000) 0.866 25.885 ( 0.000 -0.863 0.000) 0.863 25.885 ( 0.000 0.863 0.000) 0.863 26.233 ( 0.000 -1.388 0.000) 1.388 26.233 ( 0.000 1.388 0.000) 1.388 27.079 ( 0.000 -0.672 0.000) 0.672 27.079 ( 0.000 0.672 0.000) 0.672 28.808 ( 0.000 -0.262 0.000) 0.262 28.808 ( 0.000 0.262 0.000) 0.262 29.899 ( 0.000 -3.586 0.000) 3.586 29.899 ( 0.000 3.586 0.000) 3.586 31.429 ( 0.000 -0.614 0.000) 0.614 31.429 ( 0.000 0.614 0.000) 0.614 ======================= Grid point 24 (14/108) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 11.490 -19.429 4.974) 23.114 1.269 ( 11.490 19.429 4.974) 23.114 1.342 ( 12.639 -19.734 2.356) 23.553 1.342 ( 12.639 19.734 2.356) 23.553 2.066 ( 11.441 -19.032 1.838) 22.282 2.066 ( 11.441 19.032 1.838) 22.282 2.460 ( 2.341 -5.170 -0.230) 5.680 2.460 ( 2.341 5.170 -0.230) 5.680 2.734 ( 0.555 -6.217 2.542) 6.739 2.734 ( 0.555 6.217 2.542) 6.739 2.917 ( 2.006 -5.646 -1.670) 6.220 2.917 ( 2.006 5.646 -1.670) 6.220 3.082 ( 1.335 -6.479 1.204) 6.724 3.082 ( 1.335 6.479 1.204) 6.724 3.408 ( 1.166 -5.673 -2.933) 6.492 3.408 ( 1.166 5.673 -2.933) 6.492 3.703 ( -2.379 -3.492 -2.088) 4.713 3.703 ( -2.379 3.492 -2.088) 4.713 3.938 ( -1.894 -4.063 1.917) 4.876 3.938 ( -1.894 4.063 1.917) 4.876 4.056 ( -3.254 -4.449 -0.739) 5.561 4.056 ( -3.254 4.449 -0.739) 5.561 4.397 ( 3.079 -7.381 2.056) 8.258 4.397 ( 3.079 7.381 2.056) 8.258 4.591 ( -4.988 -3.793 4.337) 7.621 4.591 ( -4.988 3.793 4.337) 7.621 4.843 ( -3.894 -1.611 0.713) 4.274 4.843 ( -3.894 1.611 0.713) 4.274 4.941 ( 1.663 -3.065 -1.419) 3.765 4.941 ( 1.663 3.065 -1.419) 3.765 5.182 ( -5.688 -3.243 0.214) 6.551 5.182 ( -5.688 3.243 0.214) 6.551 5.216 ( -4.428 -5.840 -2.195) 7.651 5.216 ( -4.428 5.840 -2.195) 7.651 5.419 ( 2.593 -1.684 -4.013) 5.066 5.419 ( 2.593 1.684 -4.013) 5.066 5.555 ( -0.104 -0.938 -2.671) 2.833 5.555 ( -0.104 0.938 -2.671) 2.833 5.804 ( 1.599 -3.169 -0.386) 3.571 5.804 ( 1.599 3.169 -0.386) 3.571 6.401 ( 2.114 -3.443 1.233) 4.224 6.401 ( 2.114 3.443 1.233) 4.224 6.547 ( 6.012 -4.297 3.315) 8.099 6.547 ( 6.012 4.297 3.315) 8.099 6.858 ( 11.375 -6.724 3.151) 13.584 6.858 ( 11.375 6.724 3.151) 13.584 7.204 ( 2.205 -3.864 -1.312) 4.638 7.204 ( 2.205 3.864 -1.312) 4.638 7.569 ( -4.577 -1.857 -2.794) 5.675 7.569 ( -4.577 1.857 -2.794) 5.675 8.103 ( 1.038 -2.877 1.013) 3.222 8.103 ( 1.038 2.877 1.013) 3.222 8.918 ( -8.788 -8.575 -4.390) 13.040 8.918 ( -8.788 8.575 -4.390) 13.040 9.331 ( 0.187 -1.308 -6.400) 6.535 9.331 ( 0.187 1.308 -6.400) 6.535 9.946 ( -1.744 -4.172 7.378) 8.654 9.946 ( -1.744 4.172 7.378) 8.654 10.567 ( 4.750 -1.484 1.708) 5.261 10.567 ( 4.750 1.484 1.708) 5.261 11.700 ( 2.502 -0.707 -2.290) 3.465 11.700 ( 2.502 0.707 -2.290) 3.465 12.351 ( 2.453 -2.810 1.894) 4.183 12.351 ( 2.453 2.810 1.894) 4.183 13.069 ( 3.940 -2.439 1.346) 4.825 13.069 ( 3.940 2.439 1.346) 4.825 14.055 ( -4.135 -4.944 3.376) 7.276 14.055 ( -4.135 4.944 3.376) 7.276 14.371 ( -1.210 -4.955 -2.901) 5.868 14.371 ( -1.210 4.955 -2.901) 5.868 15.507 ( -5.147 -3.215 -4.717) 7.687 15.507 ( -5.147 3.215 -4.717) 7.687 15.857 ( -4.990 -2.403 4.613) 7.208 15.857 ( -4.990 2.403 4.613) 7.208 19.386 ( -1.380 -2.501 0.533) 2.906 19.386 ( -1.380 2.501 0.533) 2.906 24.737 ( -3.109 -1.115 0.183) 3.308 24.737 ( -3.109 1.115 0.183) 3.308 25.793 ( -5.917 -6.777 -4.765) 10.181 25.793 ( -5.917 6.777 -4.765) 10.181 26.286 ( 4.376 -2.491 4.694) 6.883 26.286 ( 4.376 2.491 4.694) 6.883 27.240 ( 13.971 -6.512 -1.888) 15.530 27.240 ( 13.971 6.512 -1.888) 15.530 28.760 ( -2.782 -1.417 -4.659) 5.608 28.760 ( -2.782 1.417 -4.659) 5.608 29.886 ( -2.492 -13.546 2.835) 14.062 29.886 ( -2.492 13.546 2.835) 14.062 31.372 ( -5.658 -1.979 2.323) 6.429 31.372 ( -5.658 1.979 2.323) 6.429 ======================= Grid point 26 (15/108) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 13.180 -16.792 3.955) 21.709 1.539 ( 13.180 16.792 3.955) 21.709 1.664 ( 18.425 -16.373 2.378) 24.763 1.664 ( 18.425 16.373 2.378) 24.763 2.267 ( 6.192 -6.695 3.412) 9.736 2.267 ( 6.192 6.695 3.412) 9.736 2.541 ( 4.851 -3.264 1.709) 6.091 2.541 ( 4.851 3.264 1.709) 6.091 2.755 ( 1.343 -2.296 0.778) 2.771 2.755 ( 1.343 2.296 0.778) 2.771 2.978 ( 3.669 -7.248 -0.057) 8.124 2.978 ( 3.669 7.248 -0.057) 8.124 3.193 ( 9.325 -8.073 3.868) 12.926 3.193 ( 9.325 8.073 3.868) 12.926 3.405 ( 1.010 -2.771 -3.734) 4.758 3.405 ( 1.010 2.771 -3.734) 4.758 3.665 ( -1.279 -2.792 -1.049) 3.245 3.665 ( -1.279 2.792 -1.049) 3.245 3.885 ( -2.974 -2.026 0.099) 3.600 3.885 ( -2.974 2.026 0.099) 3.600 4.026 ( 0.418 -5.020 0.538) 5.066 4.026 ( 0.418 5.020 0.538) 5.066 4.420 ( -2.043 -5.495 1.369) 6.020 4.420 ( -2.043 5.495 1.369) 6.020 4.524 ( -5.572 -1.560 5.285) 7.837 4.524 ( -5.572 1.560 5.285) 7.837 4.771 ( -3.967 -1.429 -0.104) 4.218 4.771 ( -3.967 1.429 -0.104) 4.218 4.919 ( -4.929 -4.615 -5.998) 9.032 4.919 ( -4.929 4.615 -5.998) 9.032 5.021 ( -2.784 -2.829 -0.714) 4.033 5.021 ( -2.784 2.829 -0.714) 4.033 5.191 ( -1.114 -3.091 1.638) 3.671 5.191 ( -1.114 3.091 1.638) 3.671 5.396 ( -4.759 -2.375 -2.662) 5.947 5.396 ( -4.759 2.375 -2.662) 5.947 5.581 ( 6.396 -1.672 -2.870) 7.207 5.581 ( 6.396 1.672 -2.870) 7.207 5.872 ( 4.300 -3.165 2.637) 5.955 5.872 ( 4.300 3.165 2.637) 5.955 6.443 ( 0.936 -3.060 2.191) 3.878 6.443 ( 0.936 3.060 2.191) 3.878 6.652 ( 3.490 -4.506 2.230) 6.120 6.652 ( 3.490 4.506 2.230) 6.120 7.008 ( 2.509 -2.952 -0.199) 3.880 7.008 ( 2.509 2.952 -0.199) 3.880 7.291 ( 4.784 -2.058 -4.401) 6.819 7.291 ( 4.784 2.058 -4.401) 6.819 7.481 ( 0.039 -3.178 -0.341) 3.196 7.481 ( 0.039 3.178 -0.341) 3.196 8.128 ( 0.839 -3.037 0.461) 3.184 8.128 ( 0.839 3.037 0.461) 3.184 8.683 ( -10.810 -6.561 -6.411) 14.177 8.683 ( -10.810 6.561 -6.411) 14.177 9.328 ( 3.059 -2.555 -5.223) 6.570 9.328 ( 3.059 2.555 -5.223) 6.570 9.923 ( -4.846 -2.630 5.919) 8.089 9.923 ( -4.846 2.630 5.919) 8.089 10.686 ( 5.983 -2.612 2.271) 6.912 10.686 ( 5.983 2.612 2.271) 6.912 11.760 ( 3.628 -3.681 2.644) 5.806 11.760 ( 3.628 3.681 2.644) 5.806 12.425 ( 5.177 -4.350 -1.519) 6.930 12.425 ( 5.177 4.350 -1.519) 6.930 13.179 ( 6.482 -2.122 1.264) 6.936 13.179 ( 6.482 2.122 1.264) 6.936 13.988 ( -4.510 -7.342 2.135) 8.877 13.988 ( -4.510 7.342 2.135) 8.877 14.316 ( -3.149 -4.003 -0.834) 5.161 14.316 ( -3.149 4.003 -0.834) 5.161 15.311 ( -10.024 -3.838 -8.724) 13.832 15.311 ( -10.024 3.838 -8.724) 13.832 15.821 ( -3.783 -5.238 8.810) 10.926 15.821 ( -3.783 5.238 8.810) 10.926 19.353 ( -2.185 -2.271 -0.048) 3.152 19.353 ( -2.185 2.271 -0.048) 3.152 24.671 ( -3.794 -1.161 0.485) 3.998 24.671 ( -3.794 1.161 0.485) 3.998 25.666 ( -4.239 -7.823 -3.880) 9.707 25.666 ( -4.239 7.823 -3.880) 9.707 26.446 ( 8.129 -4.008 7.061) 11.489 26.446 ( 8.129 4.008 7.061) 11.489 27.468 ( 11.599 -8.365 -5.798) 15.432 27.468 ( 11.599 8.365 -5.798) 15.432 28.679 ( -1.974 -3.039 -4.652) 5.897 28.679 ( -1.974 3.039 -4.652) 5.897 29.842 ( -3.676 -15.901 2.171) 16.464 29.842 ( -3.676 15.901 2.171) 16.464 31.284 ( -5.323 -2.670 3.783) 7.055 31.284 ( -5.323 2.670 3.783) 7.055 ======================= Grid point 28 (16/108) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 11.604 -10.041 3.238) 15.683 1.796 ( 11.604 10.041 3.238) 15.683 2.007 ( 16.360 -11.222 -1.301) 19.881 2.007 ( 16.360 11.222 -1.301) 19.881 2.370 ( 3.254 -3.118 4.549) 6.403 2.370 ( 3.254 3.118 4.549) 6.403 2.610 ( 0.708 -4.288 4.771) 6.454 2.610 ( 0.708 4.288 4.771) 6.454 2.820 ( 4.391 -1.491 0.885) 4.721 2.820 ( 4.391 1.491 0.885) 4.721 3.034 ( 3.169 -3.510 -1.731) 5.036 3.034 ( 3.169 3.510 -1.731) 5.036 3.325 ( 0.121 -3.288 -0.896) 3.410 3.325 ( 0.121 3.288 -0.896) 3.410 3.464 ( 5.959 -2.227 1.834) 6.621 3.464 ( 5.959 2.227 1.834) 6.621 3.609 ( -2.973 -4.189 -3.375) 6.147 3.609 ( -2.973 4.189 -3.375) 6.147 3.866 ( 0.828 -4.525 0.278) 4.608 3.866 ( 0.828 4.525 0.278) 4.608 4.086 ( 3.702 -3.914 2.320) 5.866 4.086 ( 3.702 3.914 2.320) 5.866 4.360 ( -5.964 -7.436 3.961) 10.322 4.360 ( -5.964 7.436 3.961) 10.322 4.434 ( -3.455 -0.734 -1.264) 3.751 4.434 ( -3.455 0.734 -1.264) 3.751 4.687 ( -5.405 -3.337 0.744) 6.396 4.687 ( -5.405 3.337 0.744) 6.396 4.815 ( -0.496 -4.331 -1.520) 4.616 4.815 ( -0.496 4.331 -1.520) 4.616 5.013 ( 0.226 -4.082 -0.586) 4.130 5.013 ( 0.226 4.082 -0.586) 4.130 5.177 ( -3.341 -5.681 2.134) 6.927 5.177 ( -3.341 5.681 2.134) 6.927 5.272 ( -3.872 -2.836 -1.517) 5.034 5.272 ( -3.872 2.836 -1.517) 5.034 5.712 ( 7.932 -2.223 -2.700) 8.669 5.712 ( 7.932 2.223 -2.700) 8.669 5.970 ( 3.216 -4.011 4.118) 6.587 5.970 ( 3.216 4.011 4.118) 6.587 6.464 ( 0.232 -2.718 1.622) 3.174 6.464 ( 0.232 2.718 1.622) 3.174 6.686 ( -0.623 -4.215 0.326) 4.273 6.686 ( -0.623 4.215 0.326) 4.273 7.014 ( 0.018 -0.639 -5.134) 5.174 7.014 ( 0.018 0.639 -5.134) 5.174 7.255 ( -1.823 -3.032 -2.225) 4.179 7.255 ( -1.823 3.032 -2.225) 4.179 7.575 ( 5.123 -3.543 0.610) 6.259 7.575 ( 5.123 3.543 0.610) 6.259 8.131 ( -0.381 -1.858 -0.996) 2.142 8.131 ( -0.381 1.858 -0.996) 2.142 8.483 ( -5.979 -6.194 -4.178) 9.569 8.483 ( -5.979 6.194 -4.178) 9.569 9.365 ( 3.623 -2.734 -3.711) 5.863 9.365 ( 3.623 2.734 -3.711) 5.863 9.860 ( -4.595 -2.077 3.352) 6.055 9.860 ( -4.595 2.077 3.352) 6.055 10.802 ( 4.684 -3.025 1.849) 5.875 10.802 ( 4.684 3.025 1.849) 5.875 11.856 ( 3.064 -4.781 6.308) 8.487 11.856 ( 3.064 4.781 6.308) 8.487 12.518 ( 6.142 -3.880 -3.612) 8.114 12.518 ( 6.142 3.880 -3.612) 8.114 13.312 ( 6.923 -1.735 -0.042) 7.137 13.312 ( 6.923 1.735 -0.042) 7.137 13.920 ( -3.096 -7.123 -0.866) 7.815 13.920 ( -3.096 7.123 -0.866) 7.815 14.249 ( -4.403 -2.474 2.583) 5.672 14.249 ( -4.403 2.474 2.583) 5.673 15.063 ( -9.970 -2.264 -7.696) 12.797 15.063 ( -9.970 2.264 -7.696) 12.797 15.809 ( -3.259 -6.273 7.595) 10.376 15.809 ( -3.259 6.273 7.595) 10.376 19.309 ( -2.076 -1.848 -0.636) 2.851 19.309 ( -2.076 1.848 -0.636) 2.851 24.610 ( -2.934 -0.819 0.586) 3.102 24.610 ( -2.934 0.819 0.586) 3.102 25.584 ( -2.531 -6.426 -2.306) 7.282 25.584 ( -2.531 6.426 -2.306) 7.282 26.657 ( 8.599 -4.309 8.156) 12.611 26.657 ( 8.599 4.309 8.156) 12.611 27.584 ( 5.657 -5.136 -8.438) 11.383 27.584 ( 5.657 5.136 -8.438) 11.383 28.640 ( 0.207 -5.348 -2.494) 5.904 28.640 ( 0.207 5.348 -2.494) 5.904 29.784 ( -3.233 -13.201 0.738) 13.611 29.784 ( -3.233 13.201 0.738) 13.611 31.223 ( -3.692 -1.948 3.493) 5.443 31.223 ( -3.692 1.948 3.493) 5.443 ======================= Grid point 30 (17/108) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 8.120 -3.853 2.411) 9.305 2.005 ( 8.120 3.853 2.411) 9.305 2.231 ( 8.990 -5.103 -2.408) 10.614 2.231 ( 8.990 5.103 -2.408) 10.614 2.431 ( -0.790 -2.740 3.561) 4.562 2.431 ( -0.790 2.740 3.561) 4.562 2.662 ( 2.545 -3.012 2.112) 4.473 2.662 ( 2.545 3.012 2.112) 4.473 2.916 ( 4.632 -2.724 3.077) 6.192 2.916 ( 4.632 2.724 3.077) 6.192 3.075 ( 2.483 -3.086 -2.705) 4.796 3.075 ( 2.483 3.086 -2.705) 4.796 3.280 ( -3.379 -4.893 -0.106) 5.948 3.280 ( -3.379 4.893 -0.106) 5.948 3.496 ( -2.878 -3.495 0.924) 4.621 3.496 ( -2.878 3.495 0.924) 4.621 3.562 ( 0.650 -2.511 -3.875) 4.663 3.562 ( 0.650 2.511 -3.875) 4.663 3.906 ( 2.252 -4.900 -0.090) 5.394 3.906 ( 2.252 4.900 -0.090) 5.394 4.101 ( -1.171 -0.867 -1.625) 2.182 4.101 ( -1.171 0.867 -1.625) 2.182 4.268 ( -5.503 -1.886 3.798) 6.948 4.268 ( -5.503 1.886 3.798) 6.948 4.454 ( 3.203 -3.039 2.281) 4.969 4.454 ( 3.203 3.039 2.281) 4.969 4.609 ( -2.671 -1.529 0.546) 3.125 4.609 ( -2.671 1.529 0.546) 3.125 4.834 ( 1.079 -2.700 -1.045) 3.090 4.834 ( 1.079 2.700 -1.045) 3.090 5.016 ( 0.596 -3.662 0.834) 3.802 5.016 ( 0.596 3.662 0.834) 3.802 5.103 ( -3.799 -2.883 2.851) 5.556 5.103 ( -3.799 2.883 2.851) 5.556 5.261 ( 1.488 -1.767 -0.892) 2.476 5.261 ( 1.488 1.767 -0.892) 2.476 5.808 ( 3.439 -3.243 -2.347) 5.278 5.808 ( 3.439 3.243 -2.347) 5.278 6.031 ( 1.000 -4.349 3.215) 5.500 6.031 ( 1.000 4.349 3.215) 5.500 6.481 ( 0.411 -2.605 1.394) 2.983 6.481 ( 0.411 2.605 1.394) 2.983 6.659 ( -0.978 -3.998 -2.394) 4.761 6.659 ( -0.978 3.998 -2.394) 4.761 6.970 ( -0.000 -1.729 -3.433) 3.844 6.970 ( -0.000 1.729 -3.433) 3.844 7.213 ( -2.916 -2.851 -1.237) 4.262 7.213 ( -2.916 2.851 -1.237) 4.262 7.635 ( 1.626 -0.868 0.053) 1.844 7.635 ( 1.626 0.868 0.053) 1.844 8.115 ( -0.150 -0.701 -0.956) 1.195 8.115 ( -0.150 0.701 -0.956) 1.195 8.407 ( -1.070 -3.232 -1.307) 3.646 8.407 ( -1.070 3.232 -1.307) 3.646 9.411 ( 2.874 -2.998 -1.691) 4.484 9.411 ( 2.874 2.998 -1.691) 4.484 9.803 ( -2.859 -1.252 1.271) 3.369 9.803 ( -2.859 1.252 1.271) 3.369 10.879 ( 2.477 -2.505 0.953) 3.650 10.879 ( 2.477 2.505 0.953) 3.650 11.940 ( 1.773 -3.631 4.999) 6.428 11.940 ( 1.773 3.631 4.999) 6.428 12.597 ( 4.029 -2.745 -2.517) 5.487 12.597 ( 4.029 2.745 -2.517) 5.487 13.422 ( 4.734 -1.273 -1.056) 5.015 13.422 ( 4.734 1.273 -1.056) 5.015 13.868 ( -1.380 -6.522 -1.767) 6.897 13.868 ( -1.380 6.522 -1.767) 6.897 14.193 ( -3.296 -2.395 3.314) 5.252 14.193 ( -3.296 2.395 3.314) 5.252 14.864 ( -6.467 -0.888 -4.484) 7.920 14.864 ( -6.467 0.888 -4.484) 7.920 15.795 ( -2.070 -6.138 4.175) 7.707 15.795 ( -2.070 6.138 4.175) 7.707 19.273 ( -1.230 -1.029 -0.579) 1.705 19.273 ( -1.230 1.029 -0.579) 1.705 24.571 ( -1.534 -0.397 0.391) 1.632 24.571 ( -1.534 0.397 0.391) 1.632 25.538 ( -1.238 -5.269 -1.055) 5.514 25.538 ( -1.238 5.269 -1.055) 5.514 26.847 ( 5.813 -3.874 6.545) 9.573 26.847 ( 5.813 3.874 6.545) 9.573 27.591 ( 1.221 -1.834 -7.191) 7.521 27.591 ( 1.221 1.834 -7.191) 7.521 28.645 ( 1.028 -7.471 -0.764) 7.580 28.645 ( 1.028 7.471 -0.764) 7.580 29.738 ( -1.806 -10.228 0.048) 10.386 29.738 ( -1.806 10.228 0.048) 10.386 31.188 ( -1.941 -1.022 1.996) 2.965 31.188 ( -1.941 1.022 1.996) 2.965 ======================= Grid point 32 (18/108) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.000 -0.340 0.000) 0.340 2.096 ( 0.000 0.340 0.000) 0.340 2.328 ( 0.000 -2.326 0.000) 2.326 2.328 ( 0.000 2.326 0.000) 2.326 2.402 ( 0.000 -2.612 0.000) 2.612 2.402 ( 0.000 2.612 0.000) 2.612 2.699 ( 0.000 -0.044 0.000) 0.044 2.699 ( 0.000 0.044 0.000) 0.044 2.994 ( 0.000 -2.706 0.000) 2.706 2.994 ( 0.000 2.706 0.000) 2.706 3.085 ( 0.000 -0.134 0.000) 0.134 3.085 ( 0.000 0.134 0.000) 0.134 3.238 ( 0.000 -5.518 0.000) 5.518 3.238 ( 0.000 5.518 0.000) 5.518 3.459 ( 0.000 -3.103 0.000) 3.103 3.459 ( 0.000 3.103 0.000) 3.103 3.557 ( 0.000 -3.317 0.000) 3.317 3.557 ( 0.000 3.317 0.000) 3.317 3.919 ( 0.000 -0.975 0.000) 0.975 3.919 ( 0.000 0.975 0.000) 0.975 4.092 ( 0.000 -0.198 0.000) 0.198 4.092 ( 0.000 0.198 0.000) 0.198 4.223 ( 0.000 -0.308 0.000) 0.308 4.223 ( -0.000 0.308 0.000) 0.308 4.493 ( 0.000 -3.695 -0.000) 3.695 4.493 ( 0.000 3.695 0.000) 3.695 4.596 ( 0.000 -0.456 0.000) 0.456 4.596 ( 0.000 0.456 0.000) 0.456 4.828 ( 0.000 -1.693 0.000) 1.693 4.828 ( 0.000 1.693 0.000) 1.693 5.041 ( 0.000 -5.900 0.000) 5.900 5.041 ( 0.000 5.900 0.000) 5.900 5.074 ( 0.000 -0.313 0.000) 0.313 5.074 ( 0.000 0.313 0.000) 0.313 5.279 ( 0.000 -0.373 0.000) 0.373 5.279 ( 0.000 0.373 0.000) 0.373 5.823 ( 0.000 -3.627 0.000) 3.627 5.823 ( 0.000 3.627 0.000) 3.627 6.055 ( 0.000 -1.927 0.000) 1.927 6.055 ( 0.000 1.927 0.000) 1.927 6.486 ( 0.000 -3.957 0.000) 3.957 6.486 ( 0.000 3.957 0.000) 3.957 6.640 ( 0.000 -1.193 0.000) 1.193 6.640 ( 0.000 1.193 0.000) 1.193 6.977 ( 0.000 -2.681 0.000) 2.681 6.977 ( 0.000 2.681 0.000) 2.681 7.157 ( 0.000 -0.065 0.000) 0.065 7.157 ( 0.000 0.065 0.000) 0.065 7.650 ( 0.000 -1.763 0.000) 1.763 7.650 ( 0.000 1.763 0.000) 1.763 8.113 ( 0.000 -0.650 0.000) 0.650 8.113 ( 0.000 0.650 0.000) 0.650 8.397 ( 0.000 -1.116 0.000) 1.116 8.397 ( 0.000 1.116 0.000) 1.116 9.436 ( 0.000 -3.342 0.000) 3.342 9.436 ( 0.000 3.342 0.000) 3.342 9.778 ( 0.000 -0.424 0.000) 0.424 9.778 ( 0.000 0.424 0.000) 0.424 10.906 ( 0.000 -2.199 0.000) 2.199 10.906 ( 0.000 2.199 0.000) 2.199 11.975 ( 0.000 -2.826 0.000) 2.826 11.975 ( 0.000 2.826 0.000) 2.826 12.628 ( 0.000 -2.442 0.000) 2.442 12.628 ( 0.000 2.442 0.000) 2.442 13.465 ( 0.000 -1.352 0.000) 1.352 13.465 ( 0.000 1.352 0.000) 1.352 13.849 ( 0.000 -6.674 0.000) 6.674 13.849 ( 0.000 6.674 0.000) 6.674 14.172 ( 0.000 -2.291 0.000) 2.291 14.172 ( 0.000 2.291 0.000) 2.291 14.785 ( 0.000 -0.344 0.000) 0.344 14.785 ( 0.000 0.344 0.000) 0.344 15.788 ( 0.000 -5.952 0.000) 5.952 15.788 ( 0.000 5.952 0.000) 5.952 19.259 ( 0.000 -0.184 0.000) 0.184 19.259 ( 0.000 0.184 0.000) 0.184 24.558 ( 0.000 -0.044 0.000) 0.044 24.558 ( 0.000 0.044 0.000) 0.044 25.523 ( 0.000 -4.870 0.000) 4.870 25.523 ( 0.000 4.870 0.000) 4.870 26.928 ( 0.000 -3.320 0.000) 3.320 26.928 ( 0.000 3.320 0.000) 3.320 27.573 ( 0.000 -0.414 0.000) 0.414 27.573 ( 0.000 0.414 0.000) 0.414 28.654 ( 0.000 -8.187 0.000) 8.187 28.654 ( 0.000 8.187 0.000) 8.187 29.721 ( 0.000 -8.961 0.000) 8.961 29.721 ( 0.000 8.961 0.000) 8.961 31.176 ( 0.000 -0.417 0.000) 0.417 31.176 ( 0.000 0.417 0.000) 0.417 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -4.614 0.000 29.430) 29.789 0.615 ( -1.757 0.000 31.230) 31.279 1.046 ( -1.669 0.000 51.514) 51.541 1.876 ( 0.871 0.000 12.725) 12.755 1.976 ( -4.151 0.000 6.761) 7.934 2.268 ( 5.126 0.000 -2.370) 5.648 2.355 ( -0.576 0.000 -5.536) 5.566 2.461 ( -3.818 0.000 1.950) 4.287 2.503 ( -0.633 0.000 1.307) 1.452 2.706 ( 0.444 0.000 0.616) 0.759 2.846 ( -3.224 0.000 -5.327) 6.227 2.957 ( 1.871 0.000 -5.075) 5.409 3.086 ( -3.562 0.000 0.008) 3.562 3.201 ( -0.654 0.000 2.179) 2.276 3.365 ( -0.071 0.000 -4.995) 4.995 3.448 ( 0.891 0.000 0.811) 1.205 3.548 ( 0.342 0.000 -0.174) 0.384 3.823 ( -4.739 0.000 -2.038) 5.159 3.861 ( -6.441 0.000 2.902) 7.065 3.947 ( 0.006 0.000 2.782) 2.782 4.149 ( 2.101 0.000 -0.272) 2.118 4.231 ( 2.843 0.000 -0.378) 2.868 4.384 ( 2.620 0.000 -4.479) 5.189 4.467 ( 6.487 0.000 1.703) 6.707 4.529 ( 2.445 0.000 0.102) 2.447 4.725 ( -6.015 0.000 0.622) 6.047 4.748 ( -5.868 0.000 1.731) 6.118 4.824 ( 7.755 0.000 -4.309) 8.872 4.884 ( -2.857 0.000 -0.733) 2.950 5.068 ( -5.248 0.000 -1.507) 5.460 5.078 ( 3.263 0.000 -1.107) 3.446 5.244 ( 2.956 0.000 -3.833) 4.840 5.265 ( 1.554 0.000 2.786) 3.190 5.307 ( 0.309 0.000 0.014) 0.310 5.432 ( -1.549 0.000 -0.605) 1.663 5.512 ( -0.007 0.000 2.934) 2.934 5.589 ( -7.697 0.000 -1.860) 7.919 5.639 ( -7.421 0.000 3.599) 8.248 5.756 ( -8.266 0.000 -0.922) 8.317 5.977 ( -18.140 0.000 1.821) 18.231 6.238 ( 1.840 0.000 2.030) 2.739 6.325 ( -2.691 0.000 0.859) 2.824 6.418 ( 6.394 0.000 4.967) 8.096 6.594 ( 29.138 0.000 -0.577) 29.144 6.700 ( 2.776 0.000 -0.477) 2.817 6.839 ( 1.662 0.000 1.383) 2.162 7.167 ( -0.512 0.000 -6.254) 6.275 7.328 ( 0.275 0.000 -0.686) 0.739 7.534 ( -3.726 0.000 -7.539) 8.409 7.843 ( 2.333 0.000 -2.693) 3.563 7.942 ( 1.450 0.000 0.125) 1.455 8.048 ( 1.917 0.000 -2.148) 2.879 8.452 ( -2.234 0.000 -2.169) 3.114 8.885 ( -5.336 0.000 -2.108) 5.737 9.315 ( -6.151 0.000 -5.569) 8.297 9.401 ( 1.482 0.000 -1.501) 2.109 9.852 ( 4.928 0.000 9.581) 10.774 10.037 ( 0.917 0.000 0.529) 1.059 10.491 ( 2.538 0.000 -3.606) 4.410 10.587 ( 3.487 0.000 0.314) 3.501 11.677 ( -4.715 0.000 2.658) 5.413 11.771 ( -6.788 0.000 1.627) 6.981 12.295 ( 1.896 0.000 3.445) 3.932 12.407 ( 6.633 0.000 2.006) 6.929 12.952 ( 1.959 0.000 -0.463) 2.013 13.108 ( 1.284 0.000 0.825) 1.527 13.724 ( 0.367 0.000 3.900) 3.918 14.210 ( 6.056 0.000 -1.444) 6.226 14.279 ( -0.654 0.000 2.304) 2.396 15.021 ( -19.149 0.000 -8.346) 20.889 15.305 ( 2.286 0.000 -12.301) 12.511 15.639 ( -6.300 0.000 4.154) 7.546 15.958 ( 10.899 0.000 13.825) 17.605 16.495 ( -4.844 0.000 -9.536) 10.696 19.301 ( 0.529 0.000 -1.457) 1.550 19.537 ( -1.374 0.000 7.703) 7.825 24.693 ( 0.283 0.000 0.524) 0.595 24.980 ( -4.257 0.000 -2.058) 4.729 25.407 ( -3.491 0.000 3.225) 4.753 25.867 ( -8.479 0.000 -1.445) 8.601 26.116 ( 1.806 0.000 -2.891) 3.408 26.339 ( -1.667 0.000 5.062) 5.330 27.051 ( 0.168 0.000 -0.429) 0.461 27.082 ( 0.845 0.000 -1.483) 1.707 28.673 ( -2.656 0.000 -4.626) 5.334 28.965 ( -1.579 0.000 -0.525) 1.664 29.104 ( 4.387 0.000 2.844) 5.228 30.190 ( 19.538 0.000 -5.321) 20.249 31.235 ( -0.088 0.000 6.173) 6.174 32.009 ( -0.523 0.000 -2.837) 2.885 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 13.105 0.000 23.125) 26.581 0.916 ( 13.428 0.000 23.748) 27.282 1.643 ( 26.434 0.000 31.830) 41.375 1.941 ( 2.828 0.000 5.085) 5.819 2.095 ( 6.910 0.000 8.152) 10.687 2.322 ( 2.165 0.000 1.037) 2.400 2.360 ( 1.934 0.000 -0.765) 2.080 2.489 ( 8.313 0.000 1.116) 8.387 2.578 ( 5.647 0.000 3.032) 6.409 2.721 ( 1.461 0.000 -0.263) 1.485 2.858 ( 4.788 0.000 1.487) 5.014 2.919 ( -2.003 0.000 -4.061) 4.528 3.055 ( 1.272 0.000 -5.254) 5.406 3.180 ( -1.325 0.000 1.293) 1.852 3.337 ( -0.393 0.000 -1.961) 2.000 3.541 ( 2.156 0.000 1.681) 2.734 3.572 ( 5.633 0.000 -2.538) 6.178 3.692 ( -5.394 0.000 -1.765) 5.676 3.820 ( -0.599 0.000 -0.463) 0.757 3.958 ( -0.956 0.000 3.405) 3.536 4.083 ( -5.230 0.000 -2.417) 5.762 4.251 ( -1.471 0.000 1.882) 2.389 4.351 ( -8.544 0.000 -2.650) 8.945 4.415 ( 0.289 0.000 -4.022) 4.033 4.576 ( 2.089 0.000 0.950) 2.295 4.692 ( -5.055 0.000 3.972) 6.429 4.746 ( 2.186 0.000 4.521) 5.022 4.819 ( -2.825 0.000 -0.071) 2.826 4.894 ( 2.125 0.000 -3.203) 3.844 4.946 ( -5.034 0.000 -1.192) 5.173 5.129 ( -0.288 0.000 -4.142) 4.152 5.192 ( -2.533 0.000 -0.280) 2.548 5.295 ( -2.081 0.000 -2.310) 3.109 5.312 ( -1.463 0.000 1.538) 2.123 5.395 ( -6.546 0.000 3.530) 7.437 5.429 ( -1.556 0.000 -1.155) 1.938 5.485 ( -2.130 0.000 1.858) 2.827 5.661 ( 1.283 0.000 2.189) 2.537 5.689 ( 6.859 0.000 1.962) 7.134 5.887 ( 1.075 0.000 1.026) 1.486 6.315 ( 1.892 0.000 0.357) 1.925 6.323 ( 1.330 0.000 5.913) 6.061 6.587 ( 6.187 0.000 3.198) 6.965 6.761 ( 3.473 0.000 1.462) 3.768 6.874 ( 9.945 0.000 -0.742) 9.972 6.997 ( 3.839 0.000 -2.520) 4.592 7.151 ( 4.448 0.000 -11.332) 12.173 7.314 ( -1.507 0.000 -6.523) 6.694 7.409 ( -1.756 0.000 -9.949) 10.103 7.799 ( -2.330 0.000 -7.692) 8.037 7.969 ( 1.928 0.000 -1.347) 2.352 8.095 ( 3.211 0.000 -3.693) 4.894 8.375 ( -4.087 0.000 -0.664) 4.141 8.777 ( -4.607 0.000 0.008) 4.607 9.186 ( -2.709 0.000 -5.608) 6.228 9.415 ( -0.335 0.000 1.468) 1.505 9.979 ( 0.987 0.000 7.734) 7.797 10.002 ( -3.878 0.000 2.052) 4.387 10.557 ( 6.189 0.000 -2.129) 6.545 10.645 ( 3.222 0.000 1.337) 3.489 11.710 ( 0.930 0.000 2.944) 3.087 11.742 ( 7.127 0.000 1.755) 7.340 12.306 ( -2.581 0.000 2.473) 3.575 12.493 ( 2.391 0.000 1.441) 2.791 13.017 ( 4.814 0.000 0.397) 4.830 13.156 ( 3.131 0.000 0.892) 3.256 13.745 ( -0.861 0.000 3.719) 3.818 14.210 ( -3.203 0.000 1.049) 3.370 14.302 ( 1.167 0.000 -4.650) 4.794 14.678 ( -14.649 0.000 10.922) 18.273 15.202 ( -3.864 0.000 -12.511) 13.094 15.480 ( -10.643 0.000 -1.907) 10.812 16.026 ( -7.254 0.000 8.416) 11.111 16.268 ( -8.953 0.000 8.042) 12.034 19.278 ( -1.424 0.000 -1.852) 2.336 19.518 ( -4.321 0.000 6.139) 7.507 24.680 ( -1.912 0.000 0.658) 2.022 24.823 ( -7.492 0.000 2.770) 7.987 25.389 ( -0.490 0.000 1.929) 1.991 25.810 ( -0.782 0.000 -4.308) 4.379 26.209 ( 7.921 0.000 0.948) 7.977 26.481 ( 9.613 0.000 6.878) 11.820 27.106 ( 6.349 0.000 -1.396) 6.501 27.327 ( 16.529 0.000 -15.505) 22.663 28.592 ( -2.556 0.000 -4.629) 5.288 28.946 ( 0.416 0.000 -1.205) 1.275 29.151 ( 0.438 0.000 2.944) 2.976 30.308 ( 1.100 0.000 -11.612) 11.664 31.260 ( -1.693 0.000 6.735) 6.944 31.748 ( -18.343 0.000 9.442) 20.631 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 17.199 0.000 15.069) 22.867 1.352 ( 18.820 0.000 14.587) 23.811 2.049 ( 4.833 0.000 2.078) 5.261 2.079 ( 5.709 0.000 2.225) 6.127 2.368 ( 16.654 0.000 7.119) 18.112 2.395 ( 3.565 0.000 6.981) 7.838 2.475 ( 7.742 0.000 2.929) 8.278 2.638 ( 5.141 0.000 -0.844) 5.210 2.695 ( 5.214 0.000 4.031) 6.590 2.802 ( 6.979 0.000 -1.696) 7.182 2.898 ( 2.244 0.000 1.681) 2.804 3.003 ( 2.084 0.000 -6.945) 7.251 3.044 ( 5.339 0.000 5.216) 7.464 3.195 ( 3.337 0.000 1.365) 3.605 3.347 ( 1.255 0.000 3.381) 3.606 3.559 ( 0.819 0.000 0.540) 0.981 3.578 ( -3.324 0.000 -0.169) 3.328 3.710 ( 6.343 0.000 -2.885) 6.969 3.793 ( -1.818 0.000 -2.076) 2.760 3.969 ( -3.851 0.000 -0.759) 3.925 3.992 ( 1.612 0.000 3.546) 3.895 4.202 ( -5.451 0.000 -0.665) 5.492 4.235 ( -1.356 0.000 1.939) 2.366 4.364 ( -1.862 0.000 -6.608) 6.865 4.519 ( -6.700 0.000 -1.489) 6.864 4.652 ( -1.797 0.000 3.299) 3.757 4.721 ( -9.353 0.000 -1.672) 9.501 4.818 ( -0.540 0.000 3.614) 3.654 4.835 ( -2.632 0.000 1.664) 3.114 4.901 ( 0.115 0.000 -1.010) 1.017 5.008 ( -9.271 0.000 -2.403) 9.578 5.109 ( -1.780 0.000 -0.086) 1.782 5.206 ( -4.416 0.000 0.091) 4.417 5.302 ( -0.223 0.000 4.765) 4.770 5.357 ( -2.942 0.000 0.926) 3.084 5.468 ( 0.362 0.000 -0.197) 0.412 5.493 ( 3.292 0.000 -0.735) 3.373 5.682 ( 3.313 0.000 0.946) 3.445 5.880 ( 6.259 0.000 5.945) 8.632 5.980 ( 8.627 0.000 -1.450) 8.748 6.353 ( 1.988 0.000 -0.272) 2.007 6.386 ( 2.572 0.000 4.234) 4.954 6.686 ( 3.202 0.000 2.419) 4.013 6.792 ( -2.160 0.000 1.587) 2.680 6.966 ( -2.689 0.000 -1.907) 3.297 7.056 ( -0.154 0.000 -7.752) 7.754 7.130 ( 7.629 0.000 -2.590) 8.057 7.196 ( -2.529 0.000 -11.278) 11.558 7.381 ( 2.602 0.000 -3.331) 4.226 7.699 ( -2.596 0.000 -7.619) 8.049 8.004 ( 3.398 0.000 -3.333) 4.760 8.117 ( 2.440 0.000 -3.483) 4.252 8.291 ( -4.384 0.000 -2.506) 5.050 8.703 ( -4.243 0.000 1.711) 4.575 9.153 ( 2.091 0.000 -3.416) 4.005 9.417 ( 0.038 0.000 1.604) 1.605 9.908 ( -4.983 0.000 0.399) 4.999 10.007 ( -3.818 0.000 5.953) 7.072 10.663 ( 5.210 0.000 0.705) 5.258 10.749 ( 7.044 0.000 -1.140) 7.136 11.780 ( 3.445 0.000 7.254) 8.030 11.952 ( 10.369 0.000 4.084) 11.144 12.274 ( 0.335 0.000 -1.549) 1.585 12.539 ( 2.286 0.000 0.002) 2.286 13.127 ( 6.461 0.000 -0.003) 6.461 13.231 ( 4.737 0.000 -1.172) 4.880 13.735 ( -1.980 0.000 1.826) 2.694 14.121 ( -5.316 0.000 -2.468) 5.861 14.279 ( -1.618 0.000 0.984) 1.893 14.560 ( -7.169 0.000 9.271) 11.719 15.026 ( -6.283 0.000 -11.478) 13.085 15.245 ( -11.853 0.000 -3.202) 12.277 15.915 ( -8.859 0.000 7.912) 11.877 16.195 ( -6.320 0.000 7.829) 10.062 19.238 ( -1.383 0.000 -1.930) 2.374 19.462 ( -4.761 0.000 3.525) 5.924 24.638 ( -2.718 0.000 0.381) 2.744 24.723 ( -5.082 0.000 1.412) 5.274 25.400 ( 0.139 0.000 1.886) 1.891 25.758 ( -2.172 0.000 -2.521) 3.327 26.399 ( 10.680 0.000 1.923) 10.851 26.721 ( 10.365 0.000 7.153) 12.593 27.242 ( 8.744 0.000 -2.573) 9.115 27.450 ( 8.012 0.000 -14.839) 16.864 28.524 ( -1.851 0.000 -3.155) 3.659 28.969 ( 2.392 0.000 -0.310) 2.412 29.178 ( 1.303 0.000 1.018) 1.654 30.186 ( -5.686 0.000 -8.177) 9.960 31.255 ( -2.939 0.000 5.674) 6.390 31.523 ( -12.244 0.000 8.007) 14.629 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 15.548 0.000 7.687) 17.344 1.776 ( 17.421 0.000 9.354) 19.774 2.101 ( 2.405 0.000 -1.536) 2.854 2.188 ( 4.545 0.000 2.290) 5.089 2.475 ( 0.359 0.000 2.405) 2.431 2.523 ( 0.237 0.000 -2.000) 2.014 2.622 ( 6.747 0.000 2.358) 7.147 2.736 ( 3.602 0.000 0.014) 3.602 2.833 ( 7.455 0.000 1.754) 7.659 2.929 ( 6.003 0.000 -1.155) 6.113 2.988 ( 3.275 0.000 -2.423) 4.074 3.033 ( 8.018 0.000 2.027) 8.270 3.077 ( -1.772 0.000 2.534) 3.092 3.313 ( 4.700 0.000 -1.032) 4.812 3.418 ( 1.665 0.000 4.584) 4.877 3.528 ( -2.364 0.000 -0.571) 2.432 3.594 ( 1.405 0.000 2.062) 2.495 3.708 ( -3.397 0.000 2.230) 4.063 3.794 ( -0.319 0.000 -2.876) 2.894 3.944 ( 2.721 0.000 0.930) 2.876 4.058 ( 1.005 0.000 1.106) 1.495 4.159 ( 0.755 0.000 4.227) 4.294 4.208 ( -1.481 0.000 -2.500) 2.906 4.309 ( -1.666 0.000 -1.067) 1.978 4.397 ( -2.148 0.000 -4.422) 4.916 4.496 ( -10.659 0.000 -0.781) 10.688 4.654 ( -2.230 0.000 6.870) 7.223 4.724 ( -7.026 0.000 -0.636) 7.055 4.790 ( -7.227 0.000 1.132) 7.315 4.862 ( -0.292 0.000 -2.388) 2.406 4.943 ( 0.436 0.000 2.621) 2.657 5.082 ( -2.226 0.000 -1.168) 2.514 5.175 ( 0.487 0.000 3.127) 3.165 5.296 ( -1.702 0.000 -1.215) 2.091 5.353 ( -0.304 0.000 6.709) 6.716 5.397 ( -6.185 0.000 3.581) 7.147 5.594 ( 7.635 0.000 -4.806) 9.022 5.773 ( 5.806 0.000 -1.919) 6.115 5.964 ( -0.229 0.000 4.742) 4.747 6.126 ( 4.886 0.000 -0.699) 4.936 6.402 ( 4.981 0.000 -0.386) 4.996 6.498 ( 5.123 0.000 3.359) 6.126 6.683 ( -7.913 0.000 1.111) 7.990 6.745 ( 1.703 0.000 1.131) 2.044 6.873 ( -4.450 0.000 -5.647) 7.190 6.960 ( -0.888 0.000 -6.948) 7.005 7.094 ( -0.251 0.000 -6.129) 6.135 7.258 ( 2.570 0.000 -0.506) 2.619 7.481 ( 7.859 0.000 -1.523) 8.005 7.611 ( -2.776 0.000 -3.392) 4.383 8.041 ( 3.040 0.000 -5.089) 5.928 8.150 ( 0.649 0.000 0.295) 0.713 8.201 ( -0.138 0.000 -5.088) 5.090 8.630 ( -4.895 0.000 2.244) 5.385 9.210 ( 4.779 0.000 -0.357) 4.792 9.452 ( 2.436 0.000 2.330) 3.371 9.829 ( -3.418 0.000 -0.180) 3.423 9.935 ( -5.917 0.000 2.304) 6.350 10.759 ( 4.151 0.000 1.324) 4.357 10.858 ( 5.275 0.000 -2.719) 5.935 11.896 ( 2.660 0.000 7.251) 7.724 12.090 ( 0.233 0.000 5.784) 5.789 12.371 ( 11.151 0.000 -1.617) 11.267 12.583 ( 3.052 0.000 -1.801) 3.544 13.250 ( 6.804 0.000 -1.574) 6.983 13.310 ( 5.423 0.000 -3.902) 6.680 13.699 ( -2.451 0.000 0.200) 2.459 14.015 ( -3.269 0.000 -2.413) 4.063 14.255 ( -2.887 0.000 4.039) 4.965 14.474 ( -7.399 0.000 5.184) 9.034 14.843 ( -5.491 0.000 -9.427) 10.910 15.024 ( -10.342 0.000 0.680) 10.365 15.803 ( -7.496 0.000 4.990) 9.005 16.112 ( -6.711 0.000 5.013) 8.377 19.208 ( -0.381 0.000 -1.920) 1.957 19.393 ( -4.281 0.000 2.211) 4.818 24.590 ( -2.253 0.000 -0.137) 2.257 24.646 ( -3.761 0.000 0.764) 3.838 25.413 ( -0.190 0.000 2.265) 2.273 25.705 ( -2.246 0.000 -0.452) 2.291 26.606 ( 9.875 0.000 0.117) 9.875 26.921 ( 6.312 0.000 2.651) 6.846 27.385 ( 7.738 0.000 -1.537) 7.889 27.489 ( 5.173 0.000 -7.603) 9.196 28.489 ( -0.503 0.000 -0.733) 0.889 29.012 ( 1.659 0.000 0.250) 1.678 29.222 ( 3.348 0.000 -0.414) 3.374 30.028 ( -5.807 0.000 -5.818) 8.221 31.226 ( -3.146 0.000 3.655) 4.823 31.370 ( -8.537 0.000 4.489) 9.646 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 10.490 0.000 1.401) 10.583 2.067 ( 7.426 0.000 2.412) 7.808 2.153 ( 2.731 0.000 1.034) 2.921 2.276 ( 3.760 0.000 4.485) 5.853 2.433 ( -3.691 0.000 -1.132) 3.860 2.492 ( 0.240 0.000 -2.256) 2.269 2.740 ( 4.158 0.000 -0.228) 4.164 2.784 ( 0.919 0.000 -0.725) 1.171 2.917 ( -0.710 0.000 1.598) 1.749 3.006 ( 3.966 0.000 -3.271) 5.141 3.044 ( 5.468 0.000 1.277) 5.615 3.117 ( 2.540 0.000 2.997) 3.928 3.194 ( 6.059 0.000 2.020) 6.387 3.341 ( 0.729 0.000 -4.041) 4.106 3.418 ( -2.301 0.000 0.102) 2.304 3.464 ( -4.476 0.000 0.220) 4.481 3.599 ( -0.713 0.000 1.044) 1.265 3.684 ( -2.557 0.000 5.497) 6.062 3.816 ( 3.905 0.000 -0.690) 3.965 3.925 ( -2.719 0.000 0.920) 2.870 4.095 ( 0.182 0.000 -0.967) 0.984 4.132 ( -3.497 0.000 -1.663) 3.872 4.198 ( 0.973 0.000 0.387) 1.047 4.284 ( -1.960 0.000 4.468) 4.879 4.361 ( -2.148 0.000 -0.973) 2.358 4.402 ( 0.571 0.000 -5.302) 5.332 4.508 ( -7.849 0.000 -0.231) 7.852 4.704 ( -2.555 0.000 6.268) 6.768 4.740 ( -0.594 0.000 2.501) 2.570 4.837 ( -0.420 0.000 -1.510) 1.567 4.904 ( -1.671 0.000 -3.575) 3.947 5.093 ( 1.815 0.000 -1.257) 2.208 5.173 ( -2.114 0.000 2.479) 3.257 5.264 ( -6.634 0.000 -1.065) 6.719 5.293 ( 0.697 0.000 0.795) 1.057 5.415 ( -0.219 0.000 7.552) 7.556 5.685 ( 4.876 0.000 -2.697) 5.572 5.865 ( 5.051 0.000 -3.294) 6.030 5.982 ( 0.215 0.000 3.539) 3.546 6.125 ( -2.731 0.000 -2.270) 3.551 6.448 ( -3.250 0.000 2.440) 4.064 6.563 ( 3.520 0.000 0.993) 3.657 6.643 ( 0.838 0.000 0.362) 0.912 6.763 ( -1.091 0.000 -3.412) 3.582 6.831 ( 3.791 0.000 0.991) 3.918 6.947 ( 4.165 0.000 -1.781) 4.529 7.085 ( 1.231 0.000 0.315) 1.270 7.250 ( -3.561 0.000 0.115) 3.563 7.529 ( -0.224 0.000 -2.492) 2.502 7.610 ( 3.374 0.000 -1.799) 3.823 8.050 ( 1.347 0.000 -5.233) 5.403 8.139 ( 0.475 0.000 0.765) 0.900 8.243 ( 4.685 0.000 -3.681) 5.958 8.553 ( -4.638 0.000 2.006) 5.053 9.308 ( 4.217 0.000 2.887) 5.110 9.518 ( 2.084 0.000 2.509) 3.262 9.784 ( -0.936 0.000 -0.229) 0.964 9.835 ( -4.939 0.000 -0.248) 4.945 10.831 ( 2.459 0.000 1.545) 2.904 10.905 ( 2.030 0.000 -4.212) 4.676 11.927 ( -2.076 0.000 -0.399) 2.114 12.104 ( -1.235 0.000 4.644) 4.805 12.563 ( 5.231 0.000 3.640) 6.373 12.646 ( 5.979 0.000 -1.037) 6.068 13.349 ( 5.505 0.000 -4.036) 6.826 13.387 ( 5.521 0.000 -5.407) 7.728 13.660 ( -1.154 0.000 0.908) 1.468 13.987 ( 0.589 0.000 0.356) 0.688 14.216 ( -3.989 0.000 3.801) 5.510 14.351 ( -7.732 0.000 2.126) 8.019 14.729 ( -0.960 0.000 -5.130) 5.219 14.877 ( -6.143 0.000 2.955) 6.817 15.696 ( -5.835 0.000 0.830) 5.894 16.019 ( -5.443 0.000 2.411) 5.953 19.202 ( 1.030 0.000 -1.753) 2.033 19.338 ( -2.982 0.000 2.228) 3.723 24.556 ( -1.059 0.000 -0.616) 1.225 24.592 ( -2.400 0.000 0.252) 2.414 25.422 ( -0.485 0.000 2.732) 2.775 25.674 ( -1.134 0.000 1.136) 1.605 26.740 ( 5.257 0.000 -4.852) 7.154 26.963 ( -0.146 0.000 -6.541) 6.542 27.513 ( 6.273 0.000 1.969) 6.575 27.581 ( 5.067 0.000 4.594) 6.840 28.495 ( 0.597 0.000 1.823) 1.918 29.028 ( 0.268 0.000 -0.619) 0.674 29.289 ( 3.299 0.000 -0.163) 3.303 29.909 ( -3.028 0.000 -4.703) 5.593 31.190 ( -2.293 0.000 1.549) 2.767 31.256 ( -5.676 0.000 1.655) 5.912 ======================= Grid point 60 (24/108) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 1.915 0.000 -3.096) 3.641 2.054 ( -6.647 0.000 -1.460) 6.806 2.212 ( 3.786 0.000 0.858) 3.882 2.338 ( -5.284 0.000 5.165) 7.389 2.407 ( -0.184 0.000 1.270) 1.283 2.511 ( 3.492 0.000 1.055) 3.648 2.757 ( -2.194 0.000 -2.497) 3.324 2.781 ( 0.805 0.000 -2.054) 2.207 2.925 ( 0.693 0.000 -0.060) 0.695 2.978 ( -2.322 0.000 -4.114) 4.724 3.100 ( -3.525 0.000 0.816) 3.618 3.188 ( 2.089 0.000 -2.160) 3.005 3.208 ( -2.923 0.000 1.776) 3.420 3.349 ( 0.158 0.000 3.233) 3.237 3.409 ( -0.038 0.000 -1.216) 1.216 3.431 ( 5.298 0.000 0.200) 5.302 3.591 ( -2.217 0.000 1.717) 2.804 3.658 ( -3.795 0.000 4.271) 5.713 3.848 ( -0.351 0.000 -2.396) 2.422 3.919 ( 1.516 0.000 2.165) 2.644 4.080 ( 1.227 0.000 -1.318) 1.800 4.126 ( 2.816 0.000 0.891) 2.953 4.220 ( -0.010 0.000 0.045) 0.046 4.250 ( -2.035 0.000 -2.009) 2.859 4.274 ( -2.386 0.000 -2.698) 3.602 4.387 ( -1.751 0.000 0.900) 1.969 4.438 ( 0.038 0.000 -5.600) 5.600 4.659 ( -0.576 0.000 -3.380) 3.429 4.754 ( -2.592 0.000 7.580) 8.011 4.847 ( 1.897 0.000 1.558) 2.455 4.900 ( 0.911 0.000 0.705) 1.152 5.078 ( -1.904 0.000 -6.358) 6.637 5.111 ( -4.204 0.000 2.207) 4.748 5.187 ( 1.105 0.000 -0.940) 1.451 5.306 ( -1.083 0.000 1.987) 2.263 5.431 ( -1.795 0.000 3.104) 3.586 5.751 ( 2.253 0.000 0.502) 2.308 5.897 ( -0.447 0.000 -3.379) 3.408 6.002 ( -0.550 0.000 -0.065) 0.554 6.083 ( 1.969 0.000 0.392) 2.008 6.440 ( -0.337 0.000 3.932) 3.947 6.532 ( -2.717 0.000 -2.114) 3.442 6.659 ( -2.616 0.000 -2.157) 3.390 6.762 ( 2.975 0.000 0.349) 2.996 6.915 ( 3.147 0.000 5.851) 6.643 7.089 ( 7.543 0.000 -0.579) 7.565 7.138 ( 1.923 0.000 4.530) 4.922 7.151 ( -4.421 0.000 0.739) 4.482 7.541 ( 3.175 0.000 -0.627) 3.236 7.634 ( 0.611 0.000 -2.450) 2.525 8.033 ( 0.630 0.000 -4.709) 4.751 8.170 ( 1.191 0.000 1.513) 1.925 8.304 ( 4.754 0.000 -5.117) 6.984 8.487 ( -3.861 0.000 2.684) 4.703 9.385 ( 0.938 0.000 5.670) 5.747 9.537 ( -1.697 0.000 2.035) 2.650 9.758 ( -2.087 0.000 -1.434) 2.532 9.800 ( 1.942 0.000 -0.301) 1.966 10.853 ( -1.973 0.000 0.067) 1.974 10.896 ( 1.241 0.000 -4.291) 4.467 11.834 ( -4.733 0.000 -6.546) 8.078 12.096 ( -2.594 0.000 3.482) 4.342 12.605 ( -0.951 0.000 2.198) 2.395 12.758 ( 2.736 0.000 4.030) 4.871 13.387 ( 2.455 0.000 -8.989) 9.318 13.433 ( 1.202 0.000 -0.730) 1.406 13.695 ( 2.902 0.000 3.007) 4.179 14.019 ( 1.869 0.000 1.784) 2.583 14.158 ( -3.722 0.000 2.294) 4.372 14.234 ( -4.761 0.000 0.360) 4.774 14.757 ( 5.631 0.000 -0.106) 5.632 14.847 ( 1.349 0.000 2.886) 3.186 15.597 ( -3.761 0.000 -3.149) 4.905 15.949 ( -2.801 0.000 0.454) 2.838 19.224 ( 2.345 0.000 -1.619) 2.850 19.311 ( -1.567 0.000 2.919) 3.313 24.544 ( 0.269 0.000 -1.009) 1.044 24.561 ( -0.738 0.000 -0.127) 0.749 25.431 ( -0.525 0.000 3.212) 3.255 25.681 ( 0.653 0.000 2.457) 2.542 26.732 ( -1.356 0.000 -8.551) 8.658 26.868 ( -3.030 0.000 -11.296) 11.696 27.649 ( 3.586 0.000 7.193) 8.038 27.697 ( 3.099 0.000 8.716) 9.250 28.530 ( 1.146 0.000 4.182) 4.337 29.021 ( -0.149 0.000 -1.579) 1.586 29.319 ( -0.405 0.000 -0.142) 0.429 29.865 ( 1.607 0.000 -4.527) 4.804 31.163 ( -1.446 0.000 0.071) 1.448 31.183 ( -2.235 0.000 -0.257) 2.250 ======================= Grid point 61 (25/108) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -13.934 0.000 -0.029) 13.934 2.067 ( 1.141 0.000 -2.093) 2.383 2.115 ( -16.362 0.000 1.107) 16.400 2.280 ( -1.075 0.000 3.783) 3.933 2.396 ( -2.847 0.000 2.110) 3.544 2.559 ( 0.015 0.000 -1.065) 1.065 2.634 ( -6.445 0.000 -6.318) 9.026 2.731 ( -4.742 0.000 -3.153) 5.695 2.903 ( -1.710 0.000 -2.861) 3.333 2.941 ( -3.214 0.000 0.590) 3.267 3.030 ( -0.891 0.000 1.295) 1.572 3.096 ( -4.177 0.000 -1.791) 4.544 3.242 ( 0.007 0.000 -0.147) 0.148 3.327 ( -6.077 0.000 2.387) 6.529 3.411 ( 0.231 0.000 -0.969) 0.996 3.546 ( 2.646 0.000 0.472) 2.688 3.567 ( 3.521 0.000 4.700) 5.872 3.617 ( -2.814 0.000 1.955) 3.426 3.796 ( -2.337 0.000 -2.573) 3.475 3.990 ( 3.874 0.000 -1.292) 4.084 4.061 ( -7.856 0.000 -3.849) 8.748 4.116 ( -0.255 0.000 -2.356) 2.370 4.206 ( -3.443 0.000 2.534) 4.275 4.271 ( 9.080 0.000 -5.522) 10.627 4.295 ( 4.973 0.000 -1.431) 5.174 4.367 ( 4.238 0.000 1.003) 4.355 4.485 ( 4.004 0.000 2.111) 4.526 4.641 ( 0.749 0.000 -4.269) 4.334 4.767 ( 0.510 0.000 6.142) 6.163 4.858 ( -2.986 0.000 0.938) 3.130 4.936 ( 2.596 0.000 4.635) 5.312 5.065 ( 4.962 0.000 -5.813) 7.642 5.090 ( 0.248 0.000 4.572) 4.579 5.230 ( 0.999 0.000 3.678) 3.811 5.306 ( 1.887 0.000 -0.295) 1.910 5.386 ( -3.864 0.000 1.227) 4.054 5.761 ( -0.988 0.000 -3.271) 3.417 5.804 ( -4.558 0.000 -2.393) 5.148 5.984 ( -3.043 0.000 0.734) 3.131 6.131 ( 0.611 0.000 -0.799) 1.006 6.425 ( -1.750 0.000 -2.377) 2.952 6.522 ( 0.476 0.000 2.348) 2.396 6.588 ( -3.332 0.000 0.785) 3.423 6.761 ( -3.256 0.000 0.122) 3.258 7.006 ( 2.967 0.000 5.457) 6.211 7.129 ( 1.646 0.000 2.439) 2.943 7.163 ( -0.152 0.000 -0.535) 0.556 7.216 ( 4.585 0.000 0.494) 4.611 7.592 ( -2.901 0.000 -3.380) 4.455 7.662 ( 7.081 0.000 3.967) 8.116 8.038 ( 3.493 0.000 -3.303) 4.807 8.185 ( -0.508 0.000 1.062) 1.178 8.353 ( 4.348 0.000 -8.256) 9.331 8.453 ( -1.815 0.000 5.652) 5.936 9.420 ( -1.591 0.000 8.225) 8.378 9.499 ( -3.426 0.000 3.021) 4.567 9.729 ( 0.307 0.000 -3.053) 3.069 9.837 ( 2.173 0.000 -1.435) 2.604 10.765 ( -5.050 0.000 -4.126) 6.522 10.886 ( -1.131 0.000 -2.376) 2.632 11.699 ( -4.055 0.000 -6.928) 8.027 12.054 ( -3.708 0.000 2.427) 4.431 12.569 ( -4.479 0.000 2.300) 5.035 12.786 ( -2.558 0.000 5.190) 5.786 13.337 ( -2.189 0.000 -6.781) 7.126 13.396 ( -4.198 0.000 -2.609) 4.942 13.746 ( -0.393 0.000 2.643) 2.672 14.052 ( -0.855 0.000 0.087) 0.860 14.157 ( 2.603 0.000 4.448) 5.154 14.213 ( 3.313 0.000 0.979) 3.455 14.915 ( 9.208 0.000 3.128) 9.724 14.971 ( 10.248 0.000 1.329) 10.334 15.521 ( -1.158 0.000 -5.669) 5.786 15.923 ( -0.028 0.000 -0.189) 0.191 19.264 ( 2.877 0.000 -1.824) 3.406 19.315 ( -0.226 0.000 3.547) 3.554 24.546 ( 0.841 0.000 -1.127) 1.406 24.572 ( 1.894 0.000 -0.294) 1.917 25.443 ( -0.602 0.000 3.713) 3.762 25.732 ( 2.778 0.000 3.785) 4.695 26.601 ( -6.238 0.000 -8.203) 10.305 26.722 ( -4.449 0.000 -12.612) 13.374 27.665 ( -5.597 0.000 5.941) 8.162 27.848 ( 5.080 0.000 11.150) 12.253 28.591 ( 1.687 0.000 6.234) 6.458 28.998 ( -0.958 0.000 -2.961) 3.112 29.274 ( -3.814 0.000 -0.408) 3.836 29.904 ( 5.554 0.000 -5.937) 8.130 31.133 ( -0.850 0.000 -0.577) 1.028 31.177 ( 1.400 0.000 -0.582) 1.517 ======================= Grid point 62 (26/108) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -21.010 0.000 2.898) 21.209 1.723 ( -25.518 0.000 2.456) 25.636 2.063 ( -1.281 0.000 -0.826) 1.524 2.211 ( -8.478 0.000 -2.298) 8.784 2.340 ( -4.505 0.000 5.469) 7.086 2.482 ( -8.728 0.000 -2.498) 9.079 2.521 ( -1.314 0.000 -2.424) 2.757 2.636 ( -2.078 0.000 -2.041) 2.912 2.785 ( -13.442 0.000 -0.104) 13.442 2.843 ( -3.988 0.000 -1.103) 4.138 2.946 ( -8.656 0.000 -0.980) 8.711 3.043 ( -1.173 0.000 0.213) 1.192 3.199 ( -4.558 0.000 -3.849) 5.965 3.276 ( 2.453 0.000 1.359) 2.804 3.388 ( -3.773 0.000 5.109) 6.351 3.536 ( -4.733 0.000 0.934) 4.824 3.627 ( 4.260 0.000 1.530) 4.526 3.683 ( 3.763 0.000 0.065) 3.764 3.730 ( -0.477 0.000 -4.175) 4.202 3.921 ( 1.344 0.000 -2.634) 2.958 4.081 ( -1.144 0.000 -0.808) 1.401 4.102 ( 5.278 0.000 0.563) 5.308 4.174 ( -3.251 0.000 1.080) 3.426 4.342 ( 2.600 0.000 -2.185) 3.396 4.362 ( 2.992 0.000 -4.060) 5.043 4.511 ( 7.320 0.000 0.434) 7.333 4.636 ( 9.407 0.000 6.826) 11.623 4.655 ( 2.324 0.000 -2.020) 3.079 4.785 ( 1.045 0.000 -0.837) 1.339 4.929 ( 6.700 0.000 3.020) 7.349 4.993 ( 1.080 0.000 2.073) 2.338 5.094 ( 3.496 0.000 2.556) 4.330 5.191 ( 1.167 0.000 2.536) 2.791 5.257 ( 1.716 0.000 4.342) 4.669 5.363 ( 2.016 0.000 2.382) 3.121 5.388 ( 5.201 0.000 0.470) 5.222 5.649 ( -5.691 0.000 -4.774) 7.428 5.755 ( -1.429 0.000 -1.028) 1.760 5.889 ( -6.946 0.000 1.435) 7.093 6.065 ( -6.124 0.000 -1.478) 6.300 6.369 ( -2.357 0.000 -2.350) 3.329 6.444 ( -7.959 0.000 0.737) 7.993 6.606 ( 3.351 0.000 -1.519) 3.679 6.719 ( -2.432 0.000 2.076) 3.197 7.001 ( -5.530 0.000 -2.510) 6.073 7.132 ( 2.463 0.000 -1.560) 2.915 7.258 ( 4.549 0.000 1.259) 4.720 7.310 ( 4.033 0.000 4.786) 6.258 7.480 ( -4.702 0.000 -1.750) 5.017 7.794 ( 4.578 0.000 -0.307) 4.589 8.116 ( 3.209 0.000 -2.412) 4.014 8.194 ( 2.883 0.000 0.487) 2.924 8.346 ( 2.026 0.000 -7.527) 7.795 8.509 ( 2.941 0.000 6.294) 6.947 9.427 ( -3.562 0.000 7.928) 8.692 9.472 ( -2.002 0.000 6.283) 6.594 9.721 ( 1.337 0.000 -4.603) 4.793 9.858 ( 1.590 0.000 -3.116) 3.498 10.631 ( -5.664 0.000 -5.138) 7.647 10.807 ( -4.949 0.000 -4.163) 6.467 11.632 ( 0.360 0.000 -1.379) 1.425 11.990 ( -4.770 0.000 2.143) 5.229 12.467 ( -7.641 0.000 2.125) 7.931 12.738 ( -5.976 0.000 4.943) 7.755 13.216 ( -7.494 0.000 -3.274) 8.177 13.273 ( -4.084 0.000 -7.541) 8.576 13.726 ( -2.174 0.000 1.026) 2.404 14.019 ( -0.957 0.000 -2.141) 2.345 14.238 ( 1.813 0.000 6.525) 6.772 14.377 ( 9.646 0.000 6.411) 11.582 15.119 ( 9.952 0.000 3.154) 10.440 15.212 ( 14.681 0.000 -3.888) 15.187 15.490 ( 1.638 0.000 -4.552) 4.838 15.948 ( 2.254 0.000 2.379) 3.277 19.299 ( 1.974 0.000 -1.753) 2.640 19.349 ( 1.442 0.000 3.162) 3.475 24.568 ( 2.149 0.000 -0.992) 2.367 24.623 ( 3.587 0.000 0.048) 3.588 25.453 ( -1.076 0.000 4.244) 4.378 25.834 ( 5.012 0.000 5.359) 7.337 26.418 ( -7.791 0.000 -6.309) 10.025 26.543 ( -6.269 0.000 -11.646) 13.226 27.535 ( -10.673 0.000 2.722) 11.015 28.009 ( 4.098 0.000 11.973) 12.655 28.664 ( 1.551 0.000 6.196) 6.387 28.942 ( -2.216 0.000 -5.455) 5.888 29.187 ( -5.006 0.000 0.004) 5.006 29.976 ( 6.856 0.000 -10.248) 12.330 31.129 ( 0.548 0.000 0.058) 0.552 31.226 ( 3.665 0.000 1.531) 3.972 ======================= Grid point 63 (27/108) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -25.646 0.000 8.313) 26.960 1.223 ( -29.282 0.000 4.864) 29.684 1.862 ( -26.940 0.000 6.597) 27.736 2.029 ( -13.326 0.000 -0.408) 13.333 2.200 ( -8.912 0.000 -0.781) 8.946 2.271 ( -7.958 0.000 5.777) 9.834 2.470 ( -3.491 0.000 0.762) 3.573 2.572 ( -4.274 0.000 0.141) 4.276 2.646 ( 0.503 0.000 -1.162) 1.267 2.733 ( -6.859 0.000 0.547) 6.881 2.857 ( -0.838 0.000 0.649) 1.059 3.025 ( 0.155 0.000 0.082) 0.176 3.117 ( -1.425 0.000 -5.566) 5.746 3.232 ( -5.131 0.000 0.289) 5.139 3.429 ( 2.662 0.000 2.607) 3.725 3.479 ( -0.579 0.000 -0.625) 0.852 3.623 ( -1.770 0.000 -5.178) 5.472 3.759 ( 4.784 0.000 3.531) 5.946 3.818 ( 5.370 0.000 2.107) 5.768 3.982 ( 4.063 0.000 -0.420) 4.085 4.012 ( -6.615 0.000 3.684) 7.572 4.138 ( 1.680 0.000 -1.249) 2.093 4.204 ( 5.616 0.000 -3.512) 6.624 4.386 ( 2.809 0.000 -0.189) 2.815 4.412 ( 4.625 0.000 -2.994) 5.509 4.598 ( 2.959 0.000 2.496) 3.871 4.649 ( 0.213 0.000 -2.937) 2.945 4.863 ( 5.007 0.000 4.975) 7.058 4.869 ( 6.606 0.000 5.629) 8.679 4.999 ( 3.904 0.000 -5.344) 6.618 5.013 ( 0.333 0.000 -0.955) 1.011 5.163 ( 0.435 0.000 -2.120) 2.164 5.271 ( 4.791 0.000 4.627) 6.661 5.346 ( 3.794 0.000 3.038) 4.860 5.371 ( -2.604 0.000 -1.272) 2.898 5.499 ( 4.564 0.000 0.812) 4.636 5.550 ( -2.092 0.000 4.316) 4.796 5.752 ( -2.764 0.000 4.472) 5.257 5.793 ( 0.829 0.000 1.324) 1.562 5.932 ( -7.414 0.000 2.746) 7.906 6.293 ( -3.726 0.000 -0.561) 3.768 6.333 ( -3.870 0.000 -1.629) 4.199 6.588 ( -4.538 0.000 -1.421) 4.755 6.701 ( -0.038 0.000 -1.500) 1.501 6.884 ( -2.634 0.000 -6.567) 7.076 7.093 ( -9.829 0.000 -0.991) 9.879 7.206 ( -0.822 0.000 -2.153) 2.304 7.468 ( 7.505 0.000 3.827) 8.424 7.513 ( 5.057 0.000 1.089) 5.172 7.841 ( 2.711 0.000 -5.454) 6.091 8.096 ( -1.518 0.000 -3.892) 4.177 8.157 ( -3.716 0.000 -13.191) 13.704 8.431 ( 7.203 0.000 -4.715) 8.609 8.647 ( 6.739 0.000 12.693) 14.371 9.407 ( -2.709 0.000 5.945) 6.533 9.471 ( -3.201 0.000 5.809) 6.632 9.716 ( 0.855 0.000 -3.922) 4.014 9.873 ( 2.746 0.000 -2.355) 3.618 10.508 ( -3.343 0.000 -5.203) 6.184 10.676 ( -5.577 0.000 -2.866) 6.270 11.689 ( 3.885 0.000 4.566) 5.995 11.900 ( -6.765 0.000 3.768) 7.743 12.335 ( -6.139 0.000 0.609) 6.169 12.613 ( -10.198 0.000 1.480) 10.305 13.049 ( -6.164 0.000 -5.092) 7.995 13.166 ( -2.989 0.000 -5.069) 5.884 13.696 ( -1.255 0.000 0.428) 1.326 14.005 ( 0.514 0.000 -0.043) 0.515 14.293 ( -0.576 0.000 6.403) 6.428 14.633 ( 10.983 0.000 15.387) 18.905 15.303 ( 8.065 0.000 -1.117) 8.142 15.395 ( 9.772 0.000 -14.681) 17.635 15.548 ( 5.243 0.000 2.897) 5.990 16.051 ( 5.126 0.000 9.169) 10.504 19.315 ( 1.130 0.000 -2.522) 2.763 19.403 ( 2.003 0.000 3.527) 4.056 24.612 ( 2.982 0.000 -0.582) 3.038 24.706 ( 4.902 0.000 1.413) 5.101 25.453 ( -2.041 0.000 4.709) 5.132 25.984 ( 6.481 0.000 6.398) 9.107 26.247 ( -6.377 0.000 -3.393) 7.224 26.348 ( -6.890 0.000 -9.672) 11.875 27.325 ( -11.925 0.000 0.303) 11.929 28.140 ( 2.546 0.000 5.235) 5.822 28.715 ( 0.635 0.000 2.883) 2.952 28.848 ( -3.252 0.000 -6.560) 7.322 29.097 ( -4.786 0.000 1.405) 4.988 30.000 ( 3.855 0.000 -16.148) 16.602 31.152 ( 1.148 0.000 1.818) 2.150 31.347 ( 6.729 0.000 7.962) 10.424 ======================= Grid point 64 (28/108) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -24.853 0.000 18.327) 30.880 0.742 ( -26.164 0.000 16.319) 30.836 1.249 ( -41.111 0.000 31.179) 51.597 1.848 ( -6.052 0.000 6.156) 8.633 2.075 ( -10.092 0.000 7.009) 12.287 2.211 ( 2.343 0.000 -4.023) 4.655 2.419 ( -3.297 0.000 1.161) 3.495 2.502 ( -2.651 0.000 -0.878) 2.792 2.597 ( -7.930 0.000 1.501) 8.071 2.676 ( 2.296 0.000 0.319) 2.318 2.895 ( 3.365 0.000 -0.766) 3.451 2.992 ( -1.434 0.000 -9.621) 9.727 3.120 ( 2.279 0.000 3.199) 3.928 3.161 ( -2.332 0.000 1.037) 2.552 3.417 ( -0.750 0.000 -5.933) 5.980 3.500 ( -0.996 0.000 -0.401) 1.074 3.568 ( -0.490 0.000 -4.695) 4.721 3.856 ( 1.259 0.000 4.469) 4.643 3.891 ( 2.571 0.000 1.163) 2.821 3.946 ( -2.545 0.000 4.472) 5.146 4.044 ( 2.508 0.000 3.622) 4.405 4.192 ( 2.537 0.000 -1.760) 3.088 4.289 ( 6.808 0.000 -1.329) 6.937 4.416 ( 0.026 0.000 -2.630) 2.631 4.483 ( 3.437 0.000 -0.648) 3.497 4.676 ( 5.720 0.000 -2.622) 6.293 4.694 ( 4.959 0.000 3.365) 5.993 4.886 ( -0.978 0.000 -1.760) 2.013 4.942 ( -2.971 0.000 -4.716) 5.574 5.046 ( 1.157 0.000 -2.356) 2.625 5.055 ( 6.076 0.000 8.518) 10.463 5.171 ( 0.894 0.000 -0.597) 1.075 5.257 ( -1.406 0.000 -5.586) 5.761 5.330 ( -0.425 0.000 -3.787) 3.811 5.404 ( 1.974 0.000 6.134) 6.443 5.513 ( -3.670 0.000 2.942) 4.703 5.645 ( 2.605 0.000 6.144) 6.673 5.749 ( -0.178 0.000 2.989) 2.994 5.819 ( -5.102 0.000 3.081) 5.960 5.957 ( 10.024 0.000 10.740) 14.691 6.241 ( -3.874 0.000 -2.594) 4.662 6.289 ( 3.267 0.000 2.507) 4.118 6.444 ( -8.617 0.000 -1.071) 8.683 6.677 ( -1.424 0.000 -3.736) 3.998 6.767 ( -8.067 0.000 -12.594) 14.956 6.901 ( -8.326 0.000 -0.394) 8.336 7.204 ( 0.941 0.000 -3.318) 3.449 7.496 ( -6.884 0.000 -13.455) 15.114 7.601 ( 1.092 0.000 -1.303) 1.700 7.806 ( 0.574 0.000 -10.774) 10.789 7.952 ( -3.283 0.000 -5.787) 6.653 8.065 ( -1.173 0.000 -2.542) 2.800 8.475 ( 1.740 0.000 -4.554) 4.875 8.877 ( 7.216 0.000 6.172) 9.495 9.396 ( -1.313 0.000 -0.610) 1.448 9.426 ( -3.118 0.000 2.038) 3.726 9.727 ( 2.237 0.000 3.045) 3.778 9.949 ( 5.060 0.000 2.758) 5.763 10.459 ( 1.948 0.000 -4.321) 4.740 10.582 ( -3.680 0.000 0.930) 3.796 11.782 ( -5.560 0.000 6.520) 8.569 11.814 ( 1.433 0.000 4.648) 4.864 12.290 ( 1.263 0.000 1.519) 1.975 12.370 ( -12.638 0.000 -3.111) 13.015 12.953 ( -1.326 0.000 -2.585) 2.905 13.105 ( -1.028 0.000 -1.529) 1.843 13.693 ( 0.264 0.000 2.163) 2.179 14.061 ( 4.827 0.000 4.433) 6.554 14.298 ( -2.592 0.000 5.146) 5.762 15.043 ( 20.338 0.000 18.193) 27.288 15.338 ( 0.817 0.000 -16.909) 16.929 15.505 ( 10.059 0.000 9.100) 13.564 15.652 ( 1.920 0.000 4.104) 4.531 16.265 ( 11.201 0.000 12.444) 16.743 19.308 ( 0.075 0.000 -3.105) 3.106 19.469 ( 2.000 0.000 5.775) 6.111 24.664 ( 2.427 0.000 0.019) 2.427 24.839 ( 8.138 0.000 4.588) 9.343 25.437 ( -2.777 0.000 4.821) 5.563 26.051 ( -3.183 0.000 -4.437) 5.461 26.181 ( -4.631 0.000 -6.978) 8.375 26.244 ( 6.455 0.000 8.331) 10.540 27.129 ( -7.874 0.000 -0.700) 7.905 27.901 ( -29.272 0.000 -41.608) 50.874 28.733 ( -1.064 0.000 -1.029) 1.480 28.853 ( 8.462 0.000 11.542) 14.312 29.028 ( -3.529 0.000 2.029) 4.070 29.938 ( 1.713 0.000 -5.826) 6.072 31.192 ( 0.936 0.000 4.197) 4.300 31.633 ( 17.400 0.000 17.542) 24.708 ======================= Grid point 65 (29/108) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -1.422 21.160 17.227) 27.323 0.856 ( -0.204 19.113 21.852) 29.032 1.432 ( -2.904 24.285 31.113) 39.576 1.733 ( -0.389 -15.451 10.144) 18.487 1.775 ( -1.948 -11.330 10.650) 15.672 2.223 ( 2.667 -4.399 -4.005) 6.520 2.366 ( -0.415 1.113 2.127) 2.436 2.508 ( -0.639 1.117 -1.192) 1.754 2.594 ( -1.828 6.986 1.242) 7.327 2.766 ( 0.397 4.914 -2.320) 5.449 2.834 ( -1.226 -1.098 -2.345) 2.865 2.979 ( 0.108 1.906 -3.129) 3.666 3.071 ( 1.615 -4.088 1.394) 4.611 3.246 ( -3.237 3.479 -1.441) 4.965 3.331 ( -0.302 -9.283 3.374) 9.882 3.411 ( -0.581 -1.205 -3.908) 4.130 3.548 ( 1.727 4.691 -4.124) 6.480 3.756 ( -2.370 -2.738 -2.699) 4.516 3.914 ( -2.481 1.441 -1.089) 3.069 3.984 ( -0.484 1.727 1.690) 2.464 4.110 ( -0.270 -2.700 1.633) 3.166 4.208 ( 2.100 -3.865 -1.056) 4.523 4.289 ( 0.652 -2.837 2.165) 3.628 4.432 ( 6.136 0.946 -3.778) 7.268 4.562 ( 4.768 -1.093 2.709) 5.591 4.708 ( -2.728 -0.299 1.942) 3.362 4.811 ( 0.326 2.905 -2.351) 3.752 4.846 ( 2.908 1.217 -2.091) 3.783 4.889 ( -2.212 0.655 -0.053) 2.308 5.036 ( -2.070 -2.921 -0.269) 3.590 5.126 ( 1.729 3.216 -0.797) 3.737 5.223 ( 0.683 -0.784 0.593) 1.197 5.259 ( 2.653 1.160 0.072) 2.896 5.322 ( 1.416 0.569 0.525) 1.614 5.435 ( -4.219 0.025 -2.382) 4.846 5.461 ( -6.856 -2.007 0.981) 7.210 5.578 ( -5.068 -3.031 3.726) 6.983 5.640 ( -1.995 -2.783 -1.663) 3.807 5.756 ( -8.710 2.209 0.370) 8.994 5.885 ( -7.462 -4.457 3.671) 9.435 6.296 ( -0.365 3.818 0.917) 3.943 6.359 ( 1.274 2.487 -0.483) 2.835 6.426 ( 8.817 -0.884 3.962) 9.706 6.564 ( 12.705 -1.608 4.099) 13.446 6.676 ( 0.300 -0.596 1.109) 1.294 6.828 ( 3.025 -1.646 0.340) 3.461 7.129 ( -0.830 -0.490 -0.966) 1.365 7.231 ( 0.121 -2.964 -0.282) 2.980 7.538 ( -2.962 1.637 -5.936) 6.833 7.651 ( -1.475 -3.032 -0.083) 3.373 8.044 ( 0.239 1.232 -1.709) 2.120 8.189 ( 1.961 -2.043 0.961) 2.990 8.631 ( 0.652 14.642 -12.799) 19.458 8.996 ( -2.927 3.179 -11.099) 11.911 9.311 ( -6.236 -0.771 -6.524) 9.058 9.333 ( -1.013 -3.341 -1.478) 3.791 9.904 ( 5.606 3.731 6.635) 9.454 10.036 ( 4.154 -0.999 2.654) 5.030 10.488 ( 2.421 -0.182 -2.966) 3.833 10.535 ( 2.708 -3.018 1.295) 4.257 11.690 ( -4.822 1.087 2.436) 5.511 11.750 ( -5.892 -1.528 2.635) 6.633 12.322 ( 1.284 1.796 2.554) 3.376 12.386 ( 4.260 -1.456 3.246) 5.550 12.970 ( 2.029 1.682 -0.453) 2.674 13.072 ( 1.564 -2.559 0.165) 3.004 13.889 ( 0.964 10.560 -2.365) 10.864 14.171 ( 4.772 -3.301 -1.380) 5.964 14.348 ( -1.638 5.778 3.793) 7.103 14.777 ( -12.924 -16.222 9.978) 23.016 15.360 ( 0.646 3.707 -13.178) 13.705 15.556 ( -1.298 -5.930 0.003) 6.071 15.959 ( 6.033 0.863 11.184) 12.737 16.157 ( -4.093 -12.639 7.760) 15.386 19.359 ( -0.082 3.399 -0.201) 3.406 19.493 ( -0.658 -3.057 5.412) 6.250 24.729 ( 0.373 2.264 -0.510) 2.351 24.844 ( -1.373 -4.811 2.778) 5.723 25.715 ( -1.616 10.709 -10.238) 14.903 25.860 ( -7.102 -0.715 -2.285) 7.495 26.170 ( 3.467 4.101 -2.274) 5.832 26.308 ( 1.509 -2.456 4.680) 5.496 27.056 ( 0.003 0.412 -0.773) 0.876 27.078 ( 0.306 -0.414 -1.372) 1.466 28.719 ( -3.775 2.686 -5.677) 7.328 28.827 ( -2.298 -4.112 -0.055) 4.711 29.516 ( 1.377 20.357 -10.851) 23.110 30.069 ( 12.277 -9.499 -1.659) 15.611 31.327 ( 0.363 7.140 3.205) 7.835 31.739 ( -1.051 -15.341 9.397) 18.021 ======================= Grid point 66 (30/108) ======================= q-point: ( 0.10 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 12.852 16.926 14.069) 25.488 1.099 ( 10.501 14.484 19.272) 26.296 1.734 ( 9.056 -5.697 12.665) 16.579 1.834 ( 7.582 -9.399 10.195) 15.804 1.950 ( 12.835 1.250 14.912) 19.714 2.315 ( 6.618 -1.378 1.893) 7.020 2.423 ( 2.497 1.417 1.516) 3.247 2.482 ( 3.437 -0.130 1.171) 3.633 2.635 ( 3.392 7.443 4.186) 9.189 2.755 ( 0.551 2.631 -2.084) 3.401 2.831 ( 2.031 -0.997 -3.886) 4.497 2.979 ( 1.768 3.603 2.282) 4.617 3.104 ( 0.975 -1.076 -1.449) 2.052 3.200 ( 0.436 5.258 -1.662) 5.532 3.349 ( 0.037 -3.076 -2.173) 3.766 3.400 ( 1.322 -6.932 4.875) 8.578 3.601 ( 4.377 0.390 -3.262) 5.473 3.679 ( -2.750 -0.612 -2.519) 3.779 3.858 ( -1.236 3.259 -1.985) 4.011 3.979 ( -1.728 1.502 1.303) 2.635 4.030 ( -5.024 -3.840 -2.042) 6.645 4.168 ( -3.762 -6.886 -1.142) 7.930 4.333 ( 1.269 1.037 0.845) 1.844 4.500 ( -1.641 6.847 -1.893) 7.291 4.597 ( 0.553 -6.666 -2.442) 7.121 4.695 ( 0.286 3.374 5.340) 6.323 4.767 ( -2.425 3.575 0.382) 4.337 4.831 ( -3.867 1.481 0.161) 4.144 4.906 ( 1.016 1.014 -0.267) 1.460 4.966 ( -4.749 1.362 -0.046) 4.941 5.098 ( -4.706 -3.113 -1.893) 5.951 5.185 ( -4.224 -2.276 0.060) 4.799 5.232 ( -4.377 -1.877 -1.201) 4.912 5.316 ( -1.577 -0.293 1.842) 2.443 5.367 ( -1.415 -1.471 -0.095) 2.043 5.395 ( 2.140 -1.523 -0.792) 2.744 5.530 ( -4.203 1.056 3.008) 5.275 5.592 ( 0.559 -3.538 1.293) 3.808 5.748 ( 5.097 3.321 1.456) 6.255 5.854 ( 1.857 -2.250 0.224) 2.926 6.345 ( 2.281 3.626 1.508) 4.542 6.400 ( 2.853 4.952 3.420) 6.661 6.601 ( 4.879 -1.344 3.028) 5.897 6.713 ( 3.587 -3.809 1.639) 5.483 6.818 ( 9.834 -1.838 -0.452) 10.014 7.017 ( 8.557 -0.544 -3.084) 9.113 7.119 ( 5.420 -2.136 -7.754) 9.698 7.217 ( 0.029 -6.342 -3.473) 7.231 7.431 ( -3.046 2.602 -5.221) 6.581 7.583 ( -4.151 -5.421 -0.612) 6.855 8.044 ( 0.862 2.465 -2.081) 3.339 8.230 ( 1.131 -2.171 1.420) 2.830 8.487 ( -6.454 14.392 -11.878) 19.745 8.834 ( -6.889 1.731 -6.312) 9.502 9.191 ( -1.594 0.820 -5.063) 5.371 9.333 ( 0.963 -5.709 -0.346) 5.800 10.017 ( 0.183 2.490 7.734) 8.127 10.054 ( -3.056 3.224 1.308) 4.631 10.553 ( 6.135 -0.022 -1.753) 6.381 10.616 ( 4.839 -2.334 0.728) 5.422 11.708 ( 1.944 -0.100 3.039) 3.609 11.729 ( 5.339 -0.981 2.546) 5.996 12.335 ( -1.769 2.491 2.233) 3.785 12.460 ( 1.902 -2.690 2.236) 3.982 13.036 ( 4.802 1.608 0.089) 5.065 13.127 ( 3.833 -2.245 0.489) 4.469 13.871 ( -2.114 9.809 0.390) 10.042 14.186 ( -1.755 -3.108 -2.606) 4.419 14.333 ( -1.784 3.410 1.318) 4.068 14.593 ( -11.027 -7.056 11.562) 17.466 15.238 ( -4.561 3.283 -12.346) 13.565 15.432 ( -8.784 -4.307 -5.041) 11.006 16.015 ( -6.217 -0.633 8.676) 10.693 16.136 ( -3.014 -8.026 10.908) 13.874 19.329 ( -2.330 3.844 -0.833) 4.572 19.484 ( -3.413 -2.939 4.494) 6.363 24.706 ( -2.450 1.870 0.084) 3.083 24.790 ( -4.843 -2.276 1.913) 5.682 25.541 ( -5.763 10.162 -2.221) 11.891 25.786 ( -1.978 -2.398 -4.073) 5.124 26.263 ( 7.195 4.631 1.509) 8.689 26.451 ( 8.810 -2.870 5.937) 11.004 27.124 ( 7.438 1.707 -1.908) 7.866 27.264 ( 14.550 -4.669 -9.518) 18.003 28.618 ( -3.143 2.243 -4.661) 6.053 28.782 ( -1.604 -7.049 -0.460) 7.244 29.478 ( -0.226 20.012 -3.274) 20.279 30.166 ( 1.280 -12.170 -7.117) 14.156 31.328 ( -2.844 5.697 5.253) 8.254 31.639 ( -11.982 -8.358 9.148) 17.236 ======================= Grid point 67 (31/108) ======================= q-point: ( 0.20 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 15.377 11.311 10.933) 21.998 1.459 ( 16.506 9.399 12.072) 22.506 1.903 ( 5.999 -10.034 2.837) 12.030 2.024 ( 8.292 -10.050 3.390) 13.463 2.315 ( 10.436 -0.185 7.985) 13.142 2.403 ( 3.624 -0.891 1.906) 4.190 2.526 ( 7.239 3.788 4.002) 9.097 2.666 ( 7.872 -0.848 2.732) 8.375 2.718 ( 5.137 0.885 3.063) 6.046 2.782 ( 1.606 0.347 1.449) 2.191 2.865 ( 4.386 2.603 -1.970) 5.468 3.028 ( 1.324 1.439 -4.034) 4.483 3.167 ( 5.336 2.142 3.246) 6.603 3.222 ( 2.795 7.072 1.384) 7.729 3.360 ( 2.214 0.061 2.434) 3.291 3.483 ( 3.429 -4.962 2.945) 6.712 3.566 ( -2.696 -0.438 -1.983) 3.376 3.695 ( 1.547 -2.044 -1.701) 3.077 3.841 ( 0.951 2.944 -4.516) 5.474 3.928 ( -2.464 -2.769 1.107) 3.868 3.975 ( -0.169 -0.077 2.201) 2.208 4.128 ( 0.545 -4.328 -0.262) 4.370 4.302 ( -4.029 3.569 -1.564) 5.605 4.421 ( -3.261 5.017 -1.843) 6.261 4.554 ( -4.167 -2.357 -3.313) 5.822 4.685 ( -4.914 1.872 1.724) 5.534 4.717 ( -5.067 0.757 -2.126) 5.547 4.754 ( -3.882 -0.110 2.534) 4.637 4.864 ( -3.887 1.113 7.298) 8.343 4.929 ( -0.937 2.534 -1.238) 2.972 4.952 ( -4.763 -4.424 -1.400) 6.649 5.106 ( -3.014 -2.468 0.702) 3.959 5.182 ( -3.157 -0.319 -1.897) 3.697 5.287 ( -0.522 -2.051 3.409) 4.012 5.345 ( -3.908 -0.063 1.396) 4.150 5.456 ( -0.164 -2.506 1.014) 2.708 5.500 ( 1.923 1.818 -0.366) 2.671 5.630 ( 4.312 -4.206 1.061) 6.116 5.884 ( 5.530 0.946 4.012) 6.897 5.953 ( 8.433 -1.772 -0.267) 8.622 6.386 ( 1.588 3.154 -0.052) 3.532 6.473 ( 2.045 5.637 3.558) 6.973 6.681 ( 1.633 -3.160 2.608) 4.411 6.748 ( -0.277 -0.552 0.096) 0.625 6.943 ( 3.002 -3.913 -5.848) 7.650 7.007 ( -4.275 -0.219 -2.294) 4.857 7.136 ( 3.128 1.549 -6.873) 7.709 7.242 ( 4.032 -0.382 -7.665) 8.669 7.404 ( 2.719 2.273 -2.860) 4.554 7.564 ( 2.870 -7.010 -0.695) 7.607 8.045 ( 1.038 2.703 -3.057) 4.211 8.234 ( -1.425 -1.729 -0.690) 2.345 8.306 ( -5.043 10.541 -6.562) 13.401 8.674 ( -6.650 -3.452 -2.717) 7.970 9.184 ( 3.052 2.864 -2.934) 5.111 9.357 ( 1.860 -4.621 0.059) 4.982 9.958 ( -6.107 3.424 1.504) 7.161 10.018 ( -4.799 0.707 4.759) 6.796 10.666 ( 5.957 0.558 -0.075) 5.984 10.732 ( 7.183 -1.594 -1.363) 7.483 11.800 ( 4.574 1.826 6.960) 8.526 11.916 ( 9.228 -2.963 4.818) 10.823 12.317 ( 0.756 3.776 -0.995) 3.977 12.501 ( 2.016 -3.462 0.136) 4.009 13.141 ( 6.314 1.262 -0.585) 6.465 13.213 ( 5.259 -1.595 -1.292) 5.646 13.821 ( -3.252 7.336 0.398) 8.034 14.092 ( -5.214 -3.107 -3.460) 6.986 14.306 ( -2.516 2.746 3.201) 4.911 14.506 ( -6.459 -4.824 8.730) 11.883 15.054 ( -6.823 2.624 -10.498) 12.792 15.209 ( -10.725 -3.253 -4.814) 12.198 15.934 ( -7.482 2.057 8.164) 11.263 16.125 ( -5.105 -5.709 8.589) 11.508 19.277 ( -2.223 3.389 -1.228) 4.235 19.432 ( -4.279 -2.786 2.555) 5.710 24.652 ( -3.128 1.195 0.233) 3.356 24.709 ( -4.558 -1.176 1.036) 4.820 25.476 ( -1.725 6.404 0.651) 6.664 25.721 ( -2.595 -3.534 -2.161) 4.888 26.448 ( 10.351 4.432 2.625) 11.561 26.674 ( 10.114 -4.300 6.282) 12.659 27.269 ( 9.032 2.482 -3.585) 10.029 27.413 ( 8.748 -3.231 -11.845) 15.075 28.548 ( -1.728 2.335 -2.596) 3.896 28.776 ( 0.939 -9.743 0.654) 9.810 29.463 ( 0.259 17.826 -2.038) 17.944 30.081 ( -4.366 -9.681 -6.506) 12.454 31.295 ( -4.033 3.536 5.248) 7.504 31.479 ( -10.173 -3.837 7.139) 13.007 ======================= Grid point 68 (32/108) ======================= q-point: ( 0.30 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 13.770 6.259 6.629) 16.514 1.835 ( 16.285 5.621 6.510) 18.417 2.009 ( 4.584 -6.074 0.729) 7.645 2.187 ( 6.638 -3.758 1.786) 7.834 2.447 ( 3.146 -1.601 2.349) 4.240 2.495 ( 2.096 -2.328 0.917) 3.264 2.611 ( 1.232 1.651 1.638) 2.632 2.777 ( 0.712 0.844 2.290) 2.542 2.824 ( 8.666 -0.784 -0.842) 8.742 2.892 ( 5.023 -4.322 3.799) 7.638 2.944 ( 4.318 1.328 -0.526) 4.548 3.052 ( 3.521 -0.149 0.053) 3.524 3.180 ( -0.146 6.641 -3.360) 7.444 3.319 ( 3.245 0.173 -0.412) 3.275 3.434 ( 0.996 1.792 1.962) 2.838 3.519 ( 0.414 -0.797 0.209) 0.922 3.571 ( 0.913 -1.616 2.983) 3.514 3.641 ( -4.204 -3.857 -1.426) 5.881 3.817 ( -0.683 0.998 -0.724) 1.409 3.963 ( 4.393 -2.475 0.417) 5.059 4.024 ( 0.156 1.859 0.540) 1.942 4.147 ( -0.302 -1.512 -0.355) 1.582 4.243 ( 0.687 4.673 2.025) 5.139 4.362 ( -2.479 2.869 -0.278) 3.802 4.453 ( -2.954 0.839 -3.795) 4.881 4.507 ( -7.557 2.092 1.515) 7.986 4.661 ( -6.403 -0.293 -0.039) 6.410 4.699 ( -2.490 0.576 3.356) 4.218 4.807 ( -4.481 1.367 2.758) 5.436 4.889 ( -0.806 1.764 0.242) 1.954 4.964 ( 1.061 0.690 2.921) 3.183 5.048 ( -3.140 -3.326 -3.287) 5.633 5.156 ( 1.251 -0.072 1.785) 2.181 5.260 ( -3.246 -2.508 0.236) 4.109 5.319 ( -1.353 -2.905 5.141) 6.058 5.373 ( -6.120 -2.514 3.901) 7.681 5.606 ( 7.391 1.510 -3.433) 8.288 5.735 ( 5.981 -3.505 -1.453) 7.082 5.972 ( 2.078 1.880 2.533) 3.777 6.112 ( 5.189 -2.227 2.137) 6.037 6.408 ( 1.743 1.512 -1.202) 2.602 6.527 ( 1.610 0.646 1.785) 2.489 6.647 ( -3.718 -1.466 -0.549) 4.034 6.744 ( -1.053 -1.175 0.160) 1.586 6.889 ( -2.066 1.131 -5.960) 6.409 6.936 ( 0.021 -0.446 -2.922) 2.956 7.139 ( 0.893 3.251 -3.726) 5.025 7.261 ( 1.062 -0.836 -2.258) 2.631 7.504 ( 7.318 2.205 -2.026) 7.907 7.595 ( 0.600 -1.237 -1.924) 2.365 8.051 ( 1.875 1.486 -3.525) 4.260 8.165 ( -3.420 -0.912 -0.868) 3.645 8.251 ( 1.517 6.014 -4.085) 7.426 8.560 ( -4.670 -6.110 0.101) 7.691 9.250 ( 4.793 3.382 -0.536) 5.890 9.410 ( 3.363 -3.482 1.286) 5.009 9.860 ( -4.626 2.415 0.440) 5.237 9.930 ( -6.212 -0.606 1.982) 6.549 10.768 ( 4.682 1.027 0.268) 4.801 10.841 ( 5.369 -1.530 -2.535) 6.132 11.925 ( 2.616 2.595 7.201) 8.089 12.058 ( 1.311 -2.747 6.090) 6.808 12.401 ( 9.108 2.690 -1.226) 9.576 12.548 ( 3.625 -3.087 -1.381) 4.958 13.256 ( 6.575 0.638 -2.201) 6.963 13.300 ( 5.701 -0.980 -3.986) 7.025 13.763 ( -2.810 5.546 -0.283) 6.224 13.984 ( -3.347 -3.017 -2.512) 5.159 14.274 ( -3.521 1.960 4.213) 5.830 14.429 ( -6.751 -3.946 5.221) 9.402 14.869 ( -6.058 2.414 -7.841) 10.199 14.997 ( -9.477 -2.460 -0.798) 9.824 15.841 ( -6.880 3.639 5.149) 9.332 16.059 ( -6.280 -4.717 5.292) 9.471 19.237 ( -1.097 2.586 -1.356) 3.119 19.367 ( -3.767 -2.426 1.541) 4.738 24.598 ( -2.496 0.716 -0.107) 2.599 24.637 ( -3.521 -0.805 0.540) 3.652 25.461 ( -0.979 4.298 1.741) 4.739 25.666 ( -2.320 -3.614 -0.162) 4.298 26.653 ( 9.517 4.287 0.632) 10.457 26.874 ( 7.088 -4.230 2.477) 8.618 27.401 ( 7.225 1.479 -2.655) 7.838 27.475 ( 5.489 -1.286 -6.871) 8.888 28.523 ( -0.107 3.304 -0.047) 3.306 28.816 ( 2.121 -11.015 1.405) 11.305 29.461 ( 1.061 14.903 -2.146) 15.094 29.954 ( -4.623 -7.039 -5.154) 9.873 31.248 ( -3.871 1.930 3.530) 5.583 31.348 ( -7.619 -1.963 4.153) 8.897 ======================= Grid point 69 (33/108) ======================= q-point: ( 0.40 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 8.968 3.065 1.100) 9.541 2.085 ( 4.220 -0.927 1.178) 4.478 2.116 ( 7.988 1.148 1.241) 8.164 2.297 ( 4.420 -0.437 2.690) 5.193 2.440 ( -4.173 1.551 0.165) 4.455 2.496 ( 0.072 0.076 -0.213) 0.237 2.682 ( 4.757 -3.126 -0.161) 5.695 2.785 ( -0.675 -1.925 0.889) 2.225 2.939 ( 0.394 -0.044 -2.265) 2.300 2.991 ( 6.478 0.366 2.012) 6.793 3.018 ( 2.510 -1.225 2.641) 3.844 3.132 ( 4.071 0.824 -0.617) 4.199 3.172 ( 0.742 -1.464 0.746) 1.803 3.338 ( -0.113 -1.658 -2.520) 3.019 3.423 ( -1.492 1.301 -0.802) 2.136 3.473 ( -4.679 1.585 0.585) 4.974 3.551 ( -0.304 -3.273 -1.311) 3.539 3.637 ( -0.211 -2.573 4.521) 5.206 3.844 ( 2.710 1.668 0.949) 3.321 3.962 ( -2.647 -0.424 -1.068) 2.885 4.044 ( 2.991 -0.752 -1.551) 3.452 4.099 ( -1.901 -2.019 -1.108) 2.986 4.271 ( -2.035 4.128 1.985) 5.012 4.302 ( -4.917 2.410 1.370) 5.644 4.401 ( -2.058 1.683 -0.998) 2.840 4.472 ( 0.492 1.362 -2.179) 2.616 4.527 ( -4.393 6.614 0.940) 7.996 4.692 ( -0.710 -1.341 3.528) 3.840 4.787 ( -1.569 3.622 4.079) 5.676 4.862 ( -1.413 1.742 -0.191) 2.251 4.925 ( -1.895 1.805 -4.782) 5.451 5.049 ( 2.546 -3.675 -0.918) 4.564 5.142 ( -2.308 -1.984 -0.417) 3.072 5.229 ( -6.351 -3.055 0.461) 7.062 5.287 ( 1.403 -0.591 3.045) 3.405 5.370 ( -0.341 -3.803 6.847) 7.840 5.703 ( 4.958 1.728 -2.113) 5.659 5.823 ( 4.574 -3.166 -2.992) 6.317 6.014 ( 0.677 2.663 2.540) 3.742 6.123 ( -2.805 -0.859 -1.198) 3.169 6.416 ( -0.583 -0.854 -0.310) 1.080 6.573 ( 2.895 -4.372 -1.602) 5.483 6.614 ( -1.386 1.401 0.923) 2.176 6.708 ( -0.080 -2.423 0.869) 2.575 6.898 ( 2.926 3.496 0.934) 4.653 6.950 ( 3.964 0.450 -0.289) 4.000 7.127 ( -0.373 3.184 -0.349) 3.225 7.234 ( -3.514 -1.444 -0.449) 3.825 7.563 ( 0.955 2.683 -2.601) 3.857 7.615 ( 3.035 0.369 -1.755) 3.526 8.063 ( 1.399 1.302 -3.297) 3.811 8.134 ( 0.269 -0.703 0.376) 0.842 8.277 ( 3.385 3.248 -3.633) 5.933 8.493 ( -3.066 -5.210 0.816) 6.100 9.343 ( 4.052 3.026 2.264) 5.541 9.486 ( 2.788 -2.847 2.210) 4.556 9.796 ( -2.109 0.931 -0.175) 2.312 9.829 ( -4.747 -0.552 -0.159) 4.782 10.840 ( 2.677 0.907 0.284) 2.840 10.894 ( 2.299 -1.015 -3.668) 4.446 11.953 ( -2.319 2.392 0.441) 3.361 12.079 ( -1.616 -2.331 4.108) 4.993 12.568 ( 5.207 0.572 3.151) 6.113 12.626 ( 5.754 -1.665 0.162) 5.993 13.349 ( 5.457 0.203 -4.296) 6.948 13.379 ( 5.830 -0.729 -5.301) 7.914 13.723 ( -1.051 5.437 0.431) 5.554 13.951 ( 0.313 -3.458 0.091) 3.474 14.226 ( -4.268 1.094 3.604) 5.692 14.322 ( -6.921 -2.539 2.476) 7.776 14.752 ( -1.812 2.059 -3.826) 4.708 14.856 ( -5.427 -1.945 1.805) 6.041 15.743 ( -5.604 4.331 1.153) 7.176 15.971 ( -5.345 -4.367 2.278) 7.268 19.222 ( 0.393 1.801 -1.173) 2.185 19.317 ( -2.426 -1.853 1.633) 3.463 24.560 ( -1.244 0.413 -0.526) 1.412 24.586 ( -2.189 -0.546 0.088) 2.258 25.458 ( -0.739 3.324 2.459) 4.200 25.636 ( -1.188 -3.484 1.315) 3.909 26.779 ( 4.659 3.540 -4.858) 7.605 26.938 ( 0.850 -2.459 -6.011) 6.550 27.518 ( 5.984 0.521 1.912) 6.304 27.566 ( 5.096 -1.320 3.669) 6.417 28.537 ( 0.652 4.078 2.185) 4.672 28.857 ( 1.101 -10.721 1.269) 10.852 29.474 ( 1.491 12.043 -1.985) 12.296 29.856 ( -2.294 -5.079 -4.344) 7.066 31.200 ( -2.747 0.888 1.476) 3.243 31.246 ( -5.130 -0.883 1.556) 5.433 ======================= Grid point 70 (34/108) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -1.693 0.498 -2.581) 3.127 2.081 ( -3.278 0.767 -2.272) 4.061 2.227 ( 4.412 2.349 -0.079) 4.999 2.360 ( -3.896 1.256 3.742) 5.546 2.403 ( -0.011 0.013 1.758) 1.758 2.485 ( -0.069 -2.043 1.195) 2.368 2.749 ( 1.843 -2.353 -0.359) 3.010 2.759 ( -3.053 -2.295 0.232) 3.826 2.879 ( -3.851 -0.039 -5.557) 6.761 3.032 ( -1.075 0.963 -1.405) 2.014 3.102 ( 0.343 1.805 1.492) 2.367 3.120 ( -0.052 -3.623 -0.461) 3.653 3.204 ( -0.415 -1.533 1.340) 2.078 3.314 ( 0.130 -4.300 -0.837) 4.383 3.418 ( 0.698 1.122 1.438) 1.953 3.463 ( 3.783 4.475 0.813) 5.916 3.544 ( -0.582 -2.694 1.432) 3.106 3.650 ( -0.972 -1.469 2.771) 3.283 3.884 ( -0.303 2.492 -0.674) 2.599 3.931 ( 0.030 0.112 0.723) 0.732 4.074 ( 2.417 -0.584 -2.367) 3.433 4.108 ( 2.783 -2.059 0.048) 3.462 4.216 ( -3.700 -0.041 -1.583) 4.025 4.232 ( -1.594 0.013 0.522) 1.678 4.328 ( -1.344 3.992 -3.604) 5.543 4.436 ( -2.313 0.735 -5.665) 6.163 4.510 ( -1.149 8.319 2.184) 8.678 4.691 ( -0.523 0.922 0.848) 1.357 4.783 ( -0.847 3.164 2.659) 4.219 4.859 ( 0.938 1.523 1.657) 2.438 4.911 ( 0.854 0.939 1.118) 1.692 5.050 ( -0.476 -2.027 -6.086) 6.432 5.098 ( -3.971 -1.554 1.445) 4.503 5.145 ( 0.553 -3.332 0.881) 3.490 5.305 ( -1.561 -0.110 2.309) 2.790 5.391 ( -1.690 -3.567 3.546) 5.306 5.763 ( 1.941 1.215 -0.269) 2.306 5.866 ( 1.664 -2.866 -3.180) 4.593 6.009 ( -2.187 1.286 -0.415) 2.571 6.083 ( 0.153 -0.429 0.354) 0.577 6.428 ( 1.450 -0.579 -0.038) 1.561 6.503 ( -3.316 -2.711 -1.861) 4.669 6.647 ( -0.190 0.608 0.312) 0.709 6.762 ( 2.680 -1.612 2.919) 4.278 6.953 ( 1.327 3.092 4.623) 5.718 7.049 ( 2.432 -2.038 1.782) 3.639 7.150 ( -0.086 0.728 0.224) 0.767 7.175 ( 2.525 0.986 3.005) 4.047 7.574 ( 1.965 2.690 -1.468) 3.640 7.636 ( 0.512 0.065 -2.651) 2.701 8.062 ( 0.860 2.450 -2.561) 3.647 8.158 ( 0.989 -1.257 1.215) 2.009 8.319 ( 3.724 1.705 -4.429) 6.032 8.452 ( -1.883 -3.084 1.446) 3.892 9.414 ( 0.902 2.488 4.782) 5.466 9.519 ( -0.928 -1.620 2.499) 3.120 9.759 ( -1.766 0.171 -1.429) 2.278 9.788 ( 1.032 -1.008 -0.617) 1.569 10.859 ( -1.274 0.587 -1.111) 1.790 10.891 ( 0.856 -0.503 -3.949) 4.072 11.867 ( -4.605 3.145 -4.954) 7.460 12.053 ( -3.193 -3.890 2.005) 5.417 12.622 ( -0.341 1.639 2.882) 3.333 12.728 ( 1.997 -2.606 4.082) 5.238 13.398 ( 3.092 0.914 -7.059) 7.761 13.433 ( 1.789 -0.194 -2.227) 2.863 13.742 ( 2.012 4.530 2.181) 5.415 13.977 ( 1.727 -4.010 1.516) 4.622 14.166 ( -3.600 0.821 2.329) 4.366 14.220 ( -4.411 -1.242 0.863) 4.663 14.769 ( 4.883 1.138 0.322) 5.024 14.833 ( 1.907 -1.265 2.412) 3.325 15.650 ( -3.627 4.851 -2.543) 6.569 15.898 ( -2.980 -4.640 -0.025) 5.515 19.236 ( 1.759 1.119 -0.946) 2.290 19.298 ( -1.005 -1.240 2.258) 2.765 24.546 ( 0.151 0.183 -0.890) 0.921 24.558 ( -0.562 -0.277 -0.266) 0.681 25.465 ( -0.354 3.159 3.066) 4.417 25.641 ( 0.480 -3.572 2.509) 4.392 26.760 ( -1.719 2.476 -8.895) 9.392 26.857 ( -2.872 -1.169 -10.809) 11.245 27.649 ( 3.596 0.137 7.110) 7.969 27.685 ( 3.574 -1.033 8.304) 9.100 28.568 ( 0.582 3.694 3.969) 5.453 28.868 ( -0.655 -10.052 0.798) 10.104 29.481 ( 0.382 10.878 -2.037) 11.073 29.821 ( 1.462 -4.336 -4.224) 6.228 31.166 ( -1.498 0.311 -0.022) 1.530 31.180 ( -2.065 -0.223 -0.245) 2.091 ======================= Grid point 71 (35/108) ======================= q-point: (-0.40 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -12.526 2.855 -1.149) 12.899 2.036 ( -1.897 -2.955 -2.117) 4.100 2.169 ( -13.224 4.796 0.307) 14.070 2.289 ( -2.774 1.032 3.537) 4.612 2.400 ( -1.931 -0.311 2.087) 2.860 2.491 ( -1.119 -5.109 -0.700) 5.277 2.618 ( -9.189 -1.578 -4.482) 10.345 2.704 ( -5.694 -5.145 -1.985) 7.927 2.801 ( -0.634 -0.334 -3.120) 3.201 2.947 ( -5.156 -2.270 -1.262) 5.774 3.081 ( -0.946 1.898 2.115) 2.995 3.140 ( -1.856 2.237 -1.495) 3.269 3.226 ( 2.285 0.229 0.383) 2.328 3.323 ( -0.220 -1.727 1.228) 2.130 3.427 ( 0.708 1.277 -1.793) 2.313 3.539 ( 0.302 1.359 1.710) 2.205 3.574 ( 3.228 0.775 3.842) 5.077 3.639 ( -1.230 1.183 1.380) 2.195 3.816 ( -3.891 2.128 -0.086) 4.435 3.958 ( 0.199 -1.826 -3.695) 4.126 4.098 ( -0.101 -0.376 -1.630) 1.676 4.108 ( -3.017 1.151 -2.126) 3.866 4.199 ( 0.511 -1.732 -1.067) 2.097 4.236 ( 5.705 -2.934 -5.609) 8.522 4.331 ( 2.983 3.363 -0.576) 4.532 4.391 ( 3.750 1.970 1.108) 4.378 4.522 ( 1.722 4.678 1.079) 5.100 4.688 ( -0.075 2.619 -1.349) 2.947 4.787 ( -0.176 0.826 2.352) 2.499 4.872 ( -0.195 2.814 2.203) 3.579 4.961 ( 1.780 1.482 5.315) 5.798 5.032 ( 2.417 -2.740 -4.892) 6.106 5.075 ( 0.860 -1.027 3.787) 4.017 5.201 ( 3.036 -2.982 2.961) 5.184 5.288 ( -0.353 -1.124 1.062) 1.586 5.350 ( -3.510 -3.048 1.849) 5.003 5.779 ( 0.205 0.970 -1.340) 1.667 5.807 ( -4.166 0.831 -4.684) 6.323 5.964 ( -3.617 -1.109 0.448) 3.809 6.085 ( -1.278 -4.180 -0.674) 4.422 6.419 ( -0.713 0.100 -2.757) 2.849 6.493 ( 0.774 -2.066 0.877) 2.374 6.622 ( -2.431 2.911 1.681) 4.148 6.766 ( -2.594 -1.088 0.194) 2.820 7.026 ( 2.719 1.869 5.856) 6.721 7.084 ( 1.489 -1.688 3.178) 3.895 7.185 ( 1.796 1.364 0.960) 2.451 7.249 ( 2.874 1.359 -0.073) 3.180 7.591 ( -3.055 -0.025 -2.707) 4.082 7.635 ( 3.804 -1.786 -0.294) 4.213 8.087 ( 3.444 3.177 -0.559) 4.719 8.170 ( -0.595 -1.362 1.033) 1.809 8.355 ( 2.867 1.338 -4.584) 5.570 8.457 ( 1.901 -0.456 2.453) 3.137 9.441 ( -1.750 1.831 7.091) 7.530 9.498 ( -2.813 -0.208 3.679) 4.636 9.735 ( 0.511 0.723 -3.137) 3.259 9.814 ( 2.170 -2.090 -1.852) 3.536 10.784 ( -4.195 1.697 -4.257) 6.213 10.869 ( -1.477 -1.536 -3.087) 3.751 11.745 ( -4.109 4.268 -5.446) 8.047 11.993 ( -3.981 -5.388 0.906) 6.760 12.601 ( -4.089 2.743 3.270) 5.911 12.746 ( -2.857 -3.360 5.086) 6.732 13.362 ( -2.298 1.720 -6.453) 7.062 13.395 ( -4.174 -0.134 -2.950) 5.113 13.789 ( 0.449 4.206 2.427) 4.877 14.017 ( 0.241 -3.635 1.030) 3.786 14.161 ( 2.172 0.480 3.491) 4.140 14.199 ( 2.536 -1.079 1.185) 3.000 14.920 ( 9.214 0.521 2.834) 9.654 14.960 ( 9.963 -0.935 1.638) 10.140 15.581 ( -1.122 5.423 -4.779) 7.315 15.863 ( -0.435 -5.458 -0.929) 5.553 19.271 ( 2.416 0.626 -1.019) 2.696 19.307 ( 0.252 -0.746 2.747) 2.857 24.550 ( 1.057 0.345 -1.012) 1.504 24.568 ( 1.785 -0.333 -0.422) 1.864 25.484 ( 0.080 3.787 3.666) 5.271 25.688 ( 2.448 -4.025 3.681) 5.979 26.624 ( -6.139 2.080 -8.752) 10.891 26.711 ( -4.892 -1.138 -11.813) 12.837 27.685 ( -4.146 1.975 6.164) 7.686 27.817 ( 3.274 -2.825 9.791) 10.703 28.613 ( 1.034 2.295 5.798) 6.321 28.846 ( -2.034 -9.195 0.665) 9.441 29.461 ( -0.790 12.322 -2.851) 12.672 29.850 ( 4.587 -5.149 -5.481) 8.808 31.142 ( -0.357 0.750 -0.637) 1.047 31.173 ( 1.196 -0.437 -0.625) 1.418 ======================= Grid point 72 (36/108) ======================= q-point: (-0.30 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -18.574 5.720 1.345) 19.482 1.812 ( -22.854 7.615 1.053) 24.113 1.982 ( -4.403 -7.805 -0.910) 9.007 2.183 ( -11.510 -2.353 0.159) 11.749 2.329 ( -6.969 -4.312 0.374) 8.204 2.409 ( -5.429 -2.938 1.076) 6.266 2.500 ( -0.338 -0.142 -2.005) 2.038 2.628 ( -1.419 -3.406 -0.947) 3.810 2.750 ( -3.272 1.313 -1.451) 3.813 2.860 ( -5.203 -1.330 0.744) 5.422 2.964 ( -9.085 4.436 -0.229) 10.113 3.129 ( -1.629 1.203 -1.063) 2.287 3.201 ( -4.608 2.924 -1.482) 5.655 3.319 ( -0.876 2.463 0.473) 2.656 3.420 ( -2.634 2.865 1.034) 4.027 3.510 ( -2.649 -2.325 3.066) 4.672 3.627 ( -0.413 0.119 2.114) 2.157 3.649 ( 2.405 0.257 -1.973) 3.121 3.786 ( 1.016 2.730 -2.031) 3.551 3.889 ( 0.845 -1.584 -2.642) 3.194 4.045 ( -1.559 -2.955 -1.302) 3.585 4.128 ( -0.706 -2.579 1.985) 3.330 4.180 ( 3.169 3.321 -2.889) 5.423 4.340 ( 3.412 -0.733 -3.028) 4.620 4.364 ( 1.788 0.865 -3.115) 3.694 4.520 ( 6.077 0.845 1.365) 6.286 4.630 ( 8.931 1.448 2.973) 9.523 4.704 ( 2.617 2.377 1.099) 3.703 4.808 ( 1.854 1.667 0.076) 2.495 4.953 ( 5.545 0.774 3.762) 6.745 4.988 ( 0.561 -1.678 -2.497) 3.060 5.064 ( 1.418 -0.372 6.167) 6.339 5.132 ( 1.738 -3.326 2.283) 4.392 5.265 ( -1.160 -1.194 2.126) 2.700 5.328 ( 6.337 -2.105 3.252) 7.427 5.366 ( 3.727 -1.924 2.101) 4.692 5.676 ( -6.087 2.342 -3.190) 7.260 5.765 ( -1.614 0.354 -0.435) 1.709 5.874 ( -5.040 -0.443 0.247) 5.066 6.002 ( -6.411 -4.860 -1.342) 8.156 6.384 ( -1.357 1.569 -2.020) 2.895 6.468 ( -4.001 0.342 -0.555) 4.054 6.605 ( 0.578 1.651 -0.354) 1.784 6.730 ( -2.330 -0.326 0.702) 2.455 7.029 ( -4.526 2.202 -2.091) 5.450 7.100 ( -0.421 -1.892 0.906) 2.139 7.274 ( 5.867 1.296 2.110) 6.368 7.331 ( 4.576 0.782 3.715) 5.946 7.477 ( -5.617 0.400 -2.679) 6.236 7.665 ( -1.018 -8.309 -2.612) 8.769 8.136 ( -0.654 0.094 -0.936) 1.146 8.181 ( 2.238 -2.483 -0.040) 3.343 8.400 ( 6.183 6.941 -2.131) 9.536 8.562 ( 7.215 2.087 2.467) 7.905 9.438 ( -3.484 1.095 7.419) 8.269 9.480 ( -2.275 0.230 5.999) 6.420 9.730 ( 1.604 1.341 -4.869) 5.299 9.839 ( 2.447 -1.885 -3.679) 4.804 10.664 ( -5.002 2.941 -4.957) 7.632 10.787 ( -4.639 -1.855 -4.339) 6.617 11.675 ( -0.515 3.999 -1.108) 4.182 11.920 ( -4.298 -5.834 1.140) 7.336 12.511 ( -7.504 3.728 3.288) 9.001 12.691 ( -6.463 -3.921 5.013) 9.071 13.235 ( -7.350 1.296 -4.351) 8.638 13.270 ( -4.646 -0.364 -7.074) 8.472 13.796 ( -0.267 6.056 1.269) 6.194 14.004 ( -0.565 -1.803 -1.171) 2.223 14.244 ( 2.773 0.780 5.745) 6.427 14.343 ( 8.662 -2.939 5.985) 10.931 15.125 ( 10.479 0.775 2.016) 10.700 15.193 ( 13.551 -1.632 -2.054) 13.803 15.556 ( 1.736 5.910 -3.744) 7.208 15.874 ( 1.653 -6.647 1.361) 6.983 19.306 ( 1.856 0.616 -0.901) 2.153 19.341 ( 1.619 -0.681 2.346) 2.930 24.578 ( 2.518 0.859 -0.892) 2.806 24.616 ( 3.447 -0.654 -0.153) 3.512 25.514 ( 0.481 5.479 4.275) 6.966 25.781 ( 4.523 -4.885 4.986) 8.318 26.441 ( -7.577 2.032 -6.878) 10.433 26.530 ( -6.602 -1.308 -10.635) 12.585 27.579 ( -9.904 4.244 2.787) 11.129 27.901 ( -1.116 -8.908 8.052) 12.059 28.679 ( 1.600 1.421 6.527) 6.869 28.814 ( -1.662 -6.292 1.754) 6.740 29.422 ( -0.692 15.256 -4.350) 15.879 29.905 ( 5.643 -6.640 -9.001) 12.528 31.150 ( 1.486 1.772 -0.035) 2.313 31.217 ( 3.502 -0.887 1.119) 3.782 ======================= Grid point 73 (37/108) ======================= q-point: (-0.20 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -21.434 10.497 5.444) 24.479 1.355 ( -25.822 11.688 3.156) 28.519 1.847 ( -11.441 -10.090 1.038) 15.290 1.925 ( -13.188 -9.387 1.226) 16.234 2.144 ( -18.633 3.249 7.094) 20.200 2.314 ( -5.019 -0.665 -0.263) 5.070 2.485 ( -1.602 2.245 2.215) 3.538 2.539 ( -8.814 2.009 0.239) 9.043 2.673 ( -1.059 2.413 0.833) 2.763 2.780 ( -1.361 0.900 0.898) 1.862 2.878 ( -1.151 2.559 0.378) 2.831 3.049 ( -4.665 1.998 -0.466) 5.096 3.102 ( -2.968 -2.341 -3.871) 5.410 3.283 ( -2.380 2.722 0.111) 3.617 3.379 ( -2.388 -4.228 2.368) 5.403 3.497 ( -1.153 2.495 1.961) 3.376 3.598 ( -0.167 -0.793 -5.663) 5.721 3.722 ( 4.095 -3.307 3.305) 6.215 3.830 ( 3.441 1.280 -0.596) 3.719 3.949 ( 4.128 -2.733 -0.699) 5.000 4.007 ( -2.675 -1.381 1.890) 3.555 4.111 ( 0.996 -3.698 -0.645) 3.884 4.250 ( 4.597 5.170 -2.792) 7.461 4.340 ( 0.407 0.425 -0.358) 0.689 4.411 ( 4.912 -0.791 -5.115) 7.135 4.606 ( 2.629 -1.608 -0.661) 3.152 4.730 ( 2.128 5.136 1.497) 5.758 4.820 ( 4.862 -2.691 3.157) 6.391 4.895 ( 4.203 2.063 2.250) 5.194 4.990 ( 3.361 -0.034 -3.483) 4.841 5.034 ( 1.376 0.987 1.439) 2.223 5.135 ( 2.910 -2.908 -0.096) 4.115 5.207 ( 0.998 -3.278 3.277) 4.741 5.278 ( 3.458 -4.849 1.992) 6.280 5.422 ( 0.908 2.295 0.824) 2.602 5.475 ( 4.393 -1.612 1.937) 5.064 5.571 ( -2.240 2.590 2.040) 3.986 5.742 ( -3.254 -2.069 6.172) 7.277 5.812 ( -1.210 1.232 2.825) 3.312 5.876 ( -4.697 -2.814 -0.227) 5.480 6.344 ( -1.548 3.296 -1.484) 3.932 6.388 ( -3.352 4.042 -0.926) 5.332 6.585 ( -2.883 -0.482 -1.601) 3.333 6.658 ( -4.550 -2.213 -1.987) 5.436 6.936 ( -2.652 2.886 -5.213) 6.522 7.049 ( -6.361 -2.863 0.325) 6.983 7.246 ( -4.455 2.749 -2.925) 5.997 7.459 ( -0.103 -6.072 -0.648) 6.107 7.481 ( 5.567 -0.998 4.200) 7.045 7.564 ( -3.532 -9.085 -3.994) 10.534 8.100 ( -1.757 -0.040 -1.539) 2.336 8.178 ( -0.686 -3.333 -2.641) 4.307 8.541 ( 9.064 10.150 -5.815) 14.798 8.762 ( 12.134 4.236 3.258) 13.258 9.419 ( -2.782 1.058 5.574) 6.319 9.471 ( -3.058 -0.479 5.589) 6.389 9.732 ( 1.728 2.265 -4.415) 5.255 9.865 ( 3.206 -1.443 -4.028) 5.346 10.547 ( -3.808 3.186 -4.970) 7.025 10.661 ( -5.497 -1.510 -3.336) 6.605 11.713 ( 2.995 2.178 4.342) 5.707 11.852 ( -4.468 -3.808 3.795) 6.990 12.379 ( -7.366 3.663 1.593) 8.379 12.559 ( -10.281 -4.202 2.170) 11.316 13.071 ( -5.716 1.727 -5.529) 8.138 13.149 ( -3.703 -1.520 -5.312) 6.651 13.813 ( 2.111 8.661 -0.434) 8.925 14.001 ( 0.936 -0.677 0.219) 1.176 14.319 ( 0.681 2.851 6.553) 7.179 14.562 ( 8.173 -6.110 12.535) 16.164 15.309 ( 8.707 0.961 -3.697) 9.508 15.385 ( 9.812 -1.298 -8.914) 13.320 15.617 ( 5.422 6.115 2.150) 8.450 15.954 ( 4.064 -8.028 7.675) 11.827 19.329 ( 1.294 1.235 -1.073) 2.085 19.392 ( 2.068 -1.091 2.456) 3.391 24.632 ( 3.619 1.537 -0.601) 3.977 24.693 ( 4.543 -1.136 0.803) 4.752 25.559 ( 1.525 8.781 4.489) 9.980 25.915 ( 5.621 -6.117 5.593) 10.015 26.273 ( -5.928 1.987 -3.934) 7.387 26.340 ( -6.694 -0.831 -8.597) 10.928 27.370 ( -12.490 4.519 0.041) 13.282 27.836 ( -10.248 -19.045 0.780) 21.641 28.756 ( 2.484 1.879 6.348) 7.071 28.813 ( -0.304 -1.575 2.424) 2.907 29.397 ( 2.417 19.170 -5.914) 20.207 29.927 ( 3.669 -6.782 -13.016) 15.129 31.197 ( 3.053 3.634 1.191) 4.893 31.327 ( 6.217 -1.879 6.058) 8.881 ======================= Grid point 74 (38/108) ======================= q-point: (-0.10 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -17.215 17.164 12.848) 27.496 0.947 ( -20.144 17.925 11.516) 29.321 1.560 ( -22.971 14.540 17.847) 32.521 1.740 ( -8.467 -11.094 7.504) 15.845 1.850 ( -12.631 -7.939 9.249) 17.554 2.240 ( -1.514 -1.493 -2.850) 3.556 2.411 ( -4.968 0.168 0.757) 5.029 2.502 ( 0.656 2.486 1.411) 2.933 2.647 ( -3.461 1.410 1.706) 4.108 2.770 ( 0.225 4.752 -1.680) 5.045 2.877 ( -0.489 0.077 0.046) 0.498 2.986 ( -0.359 -0.097 -3.802) 3.820 3.057 ( -0.419 -4.391 0.166) 4.415 3.261 ( 0.211 4.711 0.656) 4.761 3.355 ( -2.535 -10.326 2.837) 11.005 3.460 ( -1.948 1.760 -4.067) 4.841 3.575 ( 0.702 2.430 -5.716) 6.250 3.782 ( -0.341 -2.734 2.250) 3.557 3.897 ( 4.089 -0.123 2.082) 4.591 3.973 ( 0.495 -2.970 -1.097) 3.205 4.034 ( 2.453 0.482 3.498) 4.299 4.157 ( 3.212 -2.413 -0.266) 4.026 4.283 ( -0.106 0.976 -0.064) 0.984 4.383 ( 4.718 1.094 -3.612) 6.041 4.475 ( 3.714 -1.136 -2.092) 4.411 4.644 ( 4.628 -3.751 -1.691) 6.192 4.792 ( 1.776 5.148 2.173) 5.864 4.856 ( -0.210 -1.256 -1.378) 1.877 4.926 ( -1.373 -0.132 1.045) 1.731 5.045 ( 0.118 -1.202 -0.089) 1.211 5.083 ( 5.839 1.016 1.535) 6.122 5.159 ( -0.828 -0.538 -0.780) 1.258 5.229 ( 2.853 -0.278 -1.672) 3.318 5.319 ( 0.480 -1.769 -3.121) 3.619 5.432 ( 1.198 2.109 2.594) 3.552 5.511 ( -1.674 -0.323 3.263) 3.681 5.623 ( 2.719 -1.994 1.622) 3.742 5.700 ( -5.083 -2.679 3.755) 6.864 5.821 ( -1.697 -0.129 6.983) 7.187 5.911 ( 3.742 -2.597 7.121) 8.453 6.299 ( -1.912 4.365 -1.900) 5.130 6.363 ( 1.652 4.428 0.808) 4.795 6.457 ( -8.515 1.146 -1.760) 8.770 6.561 ( -5.299 -6.152 -4.401) 9.236 6.798 ( -9.965 -0.939 -4.314) 10.899 6.887 ( -9.075 -2.138 -3.359) 9.910 7.176 ( -4.294 -3.279 -1.357) 5.570 7.254 ( -5.463 -5.619 -1.879) 8.059 7.582 ( 1.699 -0.160 -2.975) 3.430 7.618 ( 4.032 -0.972 2.875) 5.046 8.061 ( -0.949 0.239 -1.770) 2.022 8.161 ( 0.760 -2.039 -1.335) 2.553 8.633 ( 6.187 12.898 -10.246) 17.596 8.990 ( 9.857 1.632 -5.268) 11.295 9.389 ( -2.904 0.439 -0.993) 3.100 9.432 ( -3.278 -0.029 0.246) 3.287 9.770 ( 4.514 3.554 1.529) 5.945 9.922 ( 4.420 -2.564 1.035) 5.213 10.476 ( -0.044 1.426 -4.051) 4.295 10.556 ( -4.006 -2.023 -0.946) 4.587 11.779 ( -4.308 0.125 6.013) 7.398 11.810 ( -1.531 -0.743 5.771) 6.017 12.304 ( -0.610 1.415 1.442) 2.111 12.365 ( -7.657 -0.737 -1.093) 7.770 12.974 ( -1.535 1.869 -2.947) 3.813 13.075 ( -1.318 -2.284 -2.282) 3.488 13.863 ( 3.885 10.208 -3.791) 11.562 14.059 ( 4.503 -0.692 3.159) 5.544 14.349 ( -1.617 5.302 6.097) 8.241 14.787 ( 3.607 -15.768 16.480) 23.092 15.382 ( 4.989 2.495 -11.965) 13.202 15.488 ( 6.428 -1.830 -2.598) 7.170 15.761 ( 6.683 7.430 6.749) 12.059 16.098 ( 3.731 -10.345 10.021) 14.878 19.345 ( 1.115 2.564 -0.477) 2.836 19.448 ( 1.722 -1.874 3.751) 4.533 24.696 ( 3.237 2.150 -0.542) 3.924 24.790 ( 4.236 -2.852 2.519) 5.694 25.643 ( 5.772 12.743 1.465) 14.065 25.994 ( -1.406 -5.093 -1.285) 5.437 26.190 ( -3.476 0.857 -5.374) 6.458 26.231 ( 2.916 -0.908 3.461) 4.616 27.151 ( -9.223 2.264 -1.011) 9.551 27.469 ( -25.944 -18.689 -9.122) 33.250 28.802 ( -1.740 1.456 -1.891) 2.954 28.835 ( 1.029 -0.734 3.760) 3.967 29.477 ( 10.848 21.759 -10.716) 26.570 29.900 ( 2.830 -3.844 -5.611) 7.367 31.272 ( 3.384 6.117 1.895) 7.243 31.540 ( 9.968 -6.743 12.259) 17.179 ======================= Grid point 75 (39/108) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.542 -7.284 10.651) 12.915 1.244 ( 0.542 7.284 10.651) 12.915 1.351 ( -1.710 -8.433 12.761) 15.391 1.351 ( -1.710 8.433 12.761) 15.391 2.028 ( -1.007 -16.525 8.787) 18.743 2.028 ( -1.007 16.525 8.787) 18.743 2.447 ( -0.365 -5.846 0.336) 5.867 2.447 ( -0.365 5.846 0.336) 5.867 2.758 ( 1.114 -7.196 3.268) 7.981 2.758 ( 1.114 7.196 3.268) 7.981 2.899 ( -1.670 -7.936 -0.192) 8.112 2.899 ( -1.670 7.936 -0.192) 8.112 3.086 ( 0.405 -7.677 1.479) 7.829 3.086 ( 0.405 7.677 1.479) 7.829 3.358 ( -1.005 -4.168 -3.864) 5.772 3.358 ( -1.005 4.168 -3.864) 5.772 3.679 ( -0.458 -5.621 -5.439) 7.835 3.679 ( -0.458 5.621 -5.439) 7.835 3.953 ( 1.523 -2.995 -0.090) 3.361 3.953 ( 1.523 2.995 -0.090) 3.361 4.115 ( -2.173 -3.258 -0.086) 3.917 4.115 ( -2.173 3.258 -0.086) 3.917 4.346 ( 2.958 -5.615 0.829) 6.400 4.346 ( 2.958 5.615 0.829) 6.400 4.645 ( 4.245 -5.626 0.844) 7.099 4.645 ( 4.245 5.626 0.844) 7.099 4.849 ( -0.025 -1.289 -0.815) 1.525 4.849 ( -0.025 1.289 -0.815) 1.525 4.945 ( -1.075 -4.647 0.017) 4.769 4.945 ( -1.075 4.647 0.017) 4.769 5.197 ( 2.497 -2.728 0.272) 3.709 5.197 ( 2.497 2.728 0.272) 3.709 5.306 ( 1.321 -2.383 -0.475) 2.766 5.306 ( 1.321 2.383 -0.475) 2.766 5.430 ( -8.100 -1.054 0.268) 8.173 5.430 ( -8.100 1.054 0.268) 8.173 5.566 ( -3.647 -2.592 0.654) 4.522 5.566 ( -3.647 2.592 0.654) 4.522 5.815 ( -4.235 -2.948 1.593) 5.400 5.815 ( -4.235 2.948 1.593) 5.400 6.365 ( 2.068 -2.627 0.466) 3.376 6.365 ( 2.068 2.627 0.466) 3.376 6.464 ( 5.045 -5.677 2.418) 7.970 6.464 ( 5.045 5.677 2.418) 7.970 6.753 ( 2.444 -5.119 2.181) 6.078 6.753 ( 2.444 5.119 2.181) 6.078 7.172 ( -0.469 -3.153 -2.805) 4.247 7.172 ( -0.469 3.153 -2.805) 4.247 7.592 ( -2.058 -3.134 -3.350) 5.028 7.592 ( -2.058 3.134 -3.350) 5.028 8.102 ( 0.842 -4.304 1.584) 4.662 8.102 ( 0.842 4.304 1.584) 4.662 8.900 ( 0.147 -10.542 -10.791) 15.087 8.900 ( 0.147 10.542 -10.791) 15.087 9.305 ( -4.725 -0.811 -5.322) 7.163 9.305 ( -4.725 0.811 -5.322) 7.163 9.984 ( 5.906 -3.681 5.205) 8.690 9.984 ( 5.906 3.681 5.205) 8.690 10.494 ( 2.178 -0.996 -1.174) 2.667 10.494 ( 2.178 0.996 -1.174) 2.667 11.717 ( -5.124 -1.509 2.650) 5.963 11.717 ( -5.124 1.509 2.650) 5.963 12.356 ( 2.073 -1.489 3.042) 3.971 12.356 ( 2.073 1.489 3.042) 3.971 13.017 ( 1.846 -2.645 -0.432) 3.254 13.017 ( 1.846 2.645 -0.432) 3.254 14.069 ( 2.722 -6.753 -1.650) 7.466 14.069 ( 2.722 6.753 -1.650) 7.466 14.507 ( -5.879 -9.904 8.636) 14.396 14.507 ( -5.879 9.904 8.636) 14.396 15.446 ( 0.409 -4.677 -8.876) 10.041 15.446 ( 0.409 4.677 -8.876) 10.041 16.010 ( -0.256 -4.085 8.209) 9.173 16.010 ( -0.256 4.085 8.209) 9.173 19.427 ( -0.344 -3.268 2.606) 4.194 19.427 ( -0.344 3.268 2.606) 4.194 24.776 ( -0.137 -2.450 0.651) 2.538 24.776 ( -0.137 2.450 0.651) 2.538 25.830 ( -3.950 -2.599 -4.985) 6.871 25.830 ( -3.950 2.599 -4.985) 6.871 26.249 ( 3.888 -3.305 1.726) 5.387 26.249 ( 3.888 3.305 1.726) 5.387 27.067 ( 0.036 -0.585 -1.117) 1.262 27.067 ( 0.036 0.585 -1.117) 1.262 28.768 ( -3.463 -2.262 -3.440) 5.380 28.768 ( -3.463 2.262 -3.440) 5.380 29.843 ( 4.708 -12.547 -4.950) 14.287 29.843 ( 4.708 12.547 -4.950) 14.287 31.494 ( -0.192 -9.278 5.586) 10.831 31.494 ( -0.192 9.278 5.586) 10.831 ======================= Grid point 77 (40/108) ======================= q-point: ( 0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 8.878 -3.838 8.926) 13.162 1.404 ( 8.878 3.838 8.926) 13.162 1.491 ( 7.760 -7.503 10.881) 15.327 1.491 ( 7.760 7.503 10.881) 15.327 2.180 ( 8.757 -10.660 8.440) 16.172 2.180 ( 8.757 10.660 8.440) 16.172 2.472 ( 3.159 -2.259 0.795) 3.964 2.472 ( 3.159 2.259 0.795) 3.964 2.768 ( -0.767 -3.012 -0.444) 3.140 2.768 ( -0.767 3.012 -0.444) 3.140 2.934 ( 3.279 -10.693 4.204) 11.948 2.934 ( 3.279 10.693 4.204) 11.948 3.121 ( 3.084 -7.711 3.468) 9.000 3.121 ( 3.084 7.711 3.468) 9.000 3.339 ( 1.219 -4.729 -2.785) 5.622 3.339 ( 1.219 4.729 -2.785) 5.622 3.645 ( 0.086 -3.024 -3.878) 4.919 3.645 ( 0.086 3.024 -3.878) 4.919 3.937 ( -2.378 -4.152 -1.572) 5.037 3.937 ( -2.378 4.152 -1.572) 5.037 4.041 ( -3.016 -4.548 -1.251) 5.598 4.041 ( -3.016 4.548 -1.251) 5.598 4.418 ( 2.029 -6.967 -0.659) 7.286 4.418 ( 2.029 6.967 -0.659) 7.286 4.669 ( -2.014 -5.817 2.620) 6.690 4.669 ( -2.014 5.817 2.620) 6.690 4.833 ( -1.566 -2.247 -1.076) 2.943 4.833 ( -1.566 2.247 -1.076) 2.943 4.950 ( -0.301 -3.223 2.177) 3.901 4.950 ( -0.301 3.223 2.177) 3.901 5.099 ( -9.906 -4.321 -3.135) 11.253 5.099 ( -9.906 4.321 -3.135) 11.253 5.266 ( -4.045 -3.257 2.207) 5.643 5.266 ( -4.045 3.257 2.207) 5.643 5.367 ( 2.875 -0.995 -0.861) 3.162 5.367 ( 2.875 0.995 -0.861) 3.162 5.545 ( -1.430 -1.398 1.933) 2.781 5.545 ( -1.430 1.398 1.933) 2.781 5.807 ( 3.094 -2.416 0.310) 3.938 5.807 ( 3.094 2.416 0.310) 3.938 6.438 ( 2.791 -3.722 2.041) 5.080 6.438 ( 2.791 3.722 2.041) 5.080 6.589 ( 5.919 -4.850 1.470) 7.792 6.589 ( 5.919 4.850 1.470) 7.792 6.911 ( 9.973 -7.351 1.684) 12.503 6.911 ( 9.973 7.351 1.684) 12.503 7.133 ( 0.283 -2.557 -5.954) 6.486 7.133 ( 0.283 2.557 -5.954) 6.486 7.503 ( -3.870 -3.799 -3.610) 6.515 7.503 ( -3.870 3.799 -3.610) 6.515 8.129 ( 0.539 -5.467 1.735) 5.761 8.129 ( 0.539 5.467 1.735) 5.761 8.751 ( -7.522 -9.469 -10.828) 16.233 8.751 ( -7.522 9.469 -10.828) 16.233 9.236 ( 0.613 -3.496 -3.584) 5.044 9.236 ( 0.613 3.496 -3.584) 5.044 10.068 ( -1.289 -1.691 4.815) 5.264 10.068 ( -1.289 1.691 4.815) 5.264 10.570 ( 6.161 -1.731 -0.820) 6.452 10.570 ( 6.161 1.731 -0.820) 6.452 11.712 ( 3.262 -0.552 3.032) 4.487 11.712 ( 3.262 0.552 3.032) 4.487 12.397 ( 0.204 -3.239 2.348) 4.005 12.397 ( 0.204 3.239 2.348) 4.005 13.078 ( 4.486 -2.350 0.067) 5.065 13.078 ( 4.486 2.350 0.067) 5.065 14.067 ( -1.883 -8.162 -2.243) 8.671 14.067 ( -1.883 8.162 -2.243) 8.671 14.441 ( -5.773 -6.752 7.631) 11.711 14.441 ( -5.773 6.752 7.631) 11.711 15.328 ( -5.988 -5.161 -10.136) 12.854 15.328 ( -5.988 5.161 -10.136) 12.854 16.029 ( -3.541 -2.521 10.178) 11.068 16.029 ( -3.541 2.521 10.178) 11.068 19.411 ( -2.717 -3.905 1.743) 5.066 19.411 ( -2.717 3.905 1.743) 5.066 24.746 ( -3.171 -2.010 0.601) 3.802 24.746 ( -3.171 2.010 0.601) 3.802 25.706 ( -4.866 -5.635 -3.794) 8.356 25.706 ( -4.866 5.635 -3.794) 8.356 26.368 ( 7.318 -4.912 3.644) 9.537 26.368 ( 7.318 4.912 3.644) 9.537 27.177 ( 10.470 -3.457 -3.960) 11.716 27.177 ( 10.470 3.457 -3.960) 11.716 28.678 ( -3.164 -3.673 -3.268) 5.847 28.678 ( -3.164 3.673 -3.268) 5.847 29.861 ( 0.406 -16.804 -4.467) 17.393 29.861 ( 0.406 16.804 -4.467) 17.393 31.468 ( -5.766 -7.695 6.260) 11.474 31.468 ( -5.766 7.695 6.260) 11.474 ======================= Grid point 79 (41/108) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 10.372 -7.445 6.712) 14.424 1.645 ( 10.372 7.445 6.712) 14.424 1.745 ( 12.972 -10.759 6.068) 17.913 1.745 ( 12.972 10.759 6.068) 17.913 2.356 ( 4.869 -3.049 4.611) 7.367 2.356 ( 4.869 3.049 4.611) 7.367 2.602 ( 8.145 -3.426 3.762) 9.604 2.602 ( 8.145 3.426 3.762) 9.604 2.758 ( 0.378 -2.019 -0.466) 2.106 2.758 ( 0.378 2.019 -0.466) 2.106 2.989 ( 1.095 -5.515 0.334) 5.633 2.989 ( 1.095 5.515 0.334) 5.633 3.250 ( 5.666 -6.270 0.133) 8.452 3.250 ( 5.666 6.270 0.133) 8.452 3.387 ( 4.451 -5.153 4.072) 7.934 3.387 ( 4.451 5.153 4.072) 7.934 3.620 ( -0.863 -4.756 -3.041) 5.711 3.620 ( -0.863 4.756 -3.041) 5.711 3.878 ( -2.251 -1.708 -0.432) 2.858 3.878 ( -2.251 1.708 -0.432) 2.858 4.035 ( 3.269 -4.669 0.512) 5.723 4.035 ( 3.269 4.669 0.512) 5.723 4.397 ( -2.146 -6.455 -3.064) 7.461 4.397 ( -2.146 6.455 -3.064) 7.461 4.588 ( -7.367 -7.552 -0.025) 10.550 4.588 ( -7.367 7.552 -0.025) 10.550 4.793 ( -3.266 -3.869 0.922) 5.147 4.793 ( -3.266 3.869 0.922) 5.147 4.880 ( -5.238 -1.375 3.645) 6.528 4.880 ( -5.238 1.375 3.645) 6.528 5.009 ( -1.113 -5.088 -0.597) 5.242 5.009 ( -1.113 5.088 -0.597) 5.242 5.216 ( -1.590 -3.486 0.630) 3.883 5.216 ( -1.590 3.486 0.630) 3.883 5.387 ( -3.472 -3.432 1.517) 5.112 5.387 ( -3.472 3.432 1.517) 5.112 5.552 ( 3.697 -3.072 0.453) 4.828 5.552 ( 3.697 3.072 0.453) 4.828 5.916 ( 6.627 -1.831 1.788) 7.104 5.916 ( 6.627 1.831 1.788) 7.104 6.477 ( 0.534 -4.846 0.824) 4.944 6.477 ( 0.534 4.846 0.824) 4.944 6.689 ( 2.645 -4.862 1.232) 5.670 6.689 ( 2.645 4.862 1.232) 5.670 6.964 ( -1.561 -4.103 -4.283) 6.133 6.964 ( -1.561 4.103 -4.283) 6.133 7.182 ( 5.543 -3.127 -5.757) 8.581 7.182 ( 5.543 3.127 -5.757) 8.581 7.468 ( 3.224 -3.524 -0.992) 4.878 7.468 ( 3.224 3.524 -0.992) 4.878 8.134 ( -0.766 -5.551 0.211) 5.608 8.134 ( -0.766 5.551 0.211) 5.608 8.540 ( -7.534 -9.552 -7.143) 14.108 8.540 ( -7.534 9.552 -7.143) 14.108 9.261 ( 3.435 -4.369 -2.045) 5.922 9.261 ( 3.435 4.369 -2.045) 5.922 10.012 ( -6.247 -1.555 3.178) 7.179 10.012 ( -6.247 1.555 3.178) 7.179 10.693 ( 7.005 -1.893 -1.248) 7.362 10.693 ( 7.005 1.893 -1.248) 7.362 11.851 ( 6.955 -2.977 6.110) 9.725 11.851 ( 6.955 2.977 6.110) 9.725 12.411 ( 1.369 -4.868 -0.182) 5.060 12.411 ( 1.369 4.868 -0.182) 5.060 13.175 ( 5.927 -1.880 -1.190) 6.331 13.175 ( 5.927 1.880 -1.190) 6.331 13.984 ( -4.672 -7.242 -2.342) 8.931 13.984 ( -4.672 7.242 -2.342) 8.931 14.392 ( -4.586 -5.368 6.381) 9.517 14.392 ( -4.586 5.368 6.381) 9.517 15.127 ( -8.469 -4.178 -7.968) 12.356 15.127 ( -8.469 4.178 -7.968) 12.356 16.007 ( -5.312 -5.008 8.797) 11.432 16.007 ( -5.312 5.008 8.797) 11.432 19.358 ( -3.365 -4.053 0.564) 5.298 19.358 ( -3.365 4.053 0.564) 5.298 24.680 ( -3.787 -1.480 0.428) 4.088 24.680 ( -3.787 1.480 0.428) 4.088 25.617 ( -3.089 -6.393 -1.124) 7.189 25.617 ( -3.089 6.393 -1.124) 7.189 26.562 ( 9.957 -6.026 4.392) 12.440 26.562 ( 9.957 6.026 4.392) 12.440 27.336 ( 9.321 -3.796 -6.817) 12.156 27.336 ( 9.321 3.796 -6.817) 12.156 28.624 ( -0.933 -5.244 -0.999) 5.419 28.624 ( -0.933 5.244 -0.999) 5.419 29.814 ( -1.974 -15.538 -4.190) 16.214 29.814 ( -1.974 15.538 -4.190) 16.214 31.385 ( -6.664 -4.831 5.611) 9.961 31.385 ( -6.664 4.831 5.611) 9.961 ======================= Grid point 81 (42/108) ======================= q-point: ( 0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 9.388 -6.234 3.823) 11.900 1.864 ( 9.388 6.234 3.823) 11.900 2.022 ( 12.428 -9.831 2.826) 16.096 2.022 ( 12.428 9.831 2.826) 16.096 2.451 ( 2.963 -1.632 2.628) 4.284 2.451 ( 2.963 1.632 2.628) 4.284 2.698 ( -1.185 -5.984 2.700) 6.671 2.698 ( -1.185 5.984 2.700) 6.671 2.836 ( 7.633 -1.765 2.049) 8.098 2.836 ( 7.633 1.765 2.049) 8.098 3.007 ( 1.572 -3.715 -1.003) 4.157 3.007 ( 1.572 3.715 -1.003) 4.157 3.295 ( 0.668 -3.400 -2.172) 4.089 3.295 ( 0.668 3.400 -2.172) 4.089 3.477 ( 1.874 -2.571 -1.782) 3.646 3.477 ( 1.874 2.571 -1.782) 3.646 3.583 ( -1.888 -2.283 1.943) 3.543 3.583 ( -1.888 2.283 1.943) 3.543 3.861 ( 0.922 -4.157 -0.450) 4.281 3.861 ( 0.922 4.157 -0.450) 4.281 4.109 ( 0.346 -3.002 -0.059) 3.023 4.109 ( 0.346 3.002 -0.059) 3.023 4.354 ( 0.765 -4.725 -0.620) 4.827 4.354 ( 0.765 4.725 -0.620) 4.827 4.471 ( -4.474 -3.615 2.187) 6.154 4.471 ( -4.474 3.615 2.187) 6.154 4.707 ( -5.148 -2.206 1.036) 5.695 4.707 ( -5.148 2.206 1.036) 5.695 4.857 ( -1.335 -4.388 3.801) 5.957 4.857 ( -1.335 4.388 3.801) 5.957 4.990 ( 0.045 -2.713 -1.977) 3.358 4.990 ( 0.045 2.713 -1.977) 3.358 5.193 ( -1.791 -3.711 0.503) 4.152 5.193 ( -1.791 3.711 0.503) 4.152 5.310 ( -4.778 -2.641 4.509) 7.081 5.310 ( -4.778 2.641 4.509) 7.081 5.658 ( 6.732 -3.419 -1.988) 7.808 5.658 ( 6.732 3.419 -1.988) 7.808 6.039 ( 4.073 -4.049 2.525) 6.274 6.039 ( 4.073 4.049 2.525) 6.274 6.472 ( -0.557 -4.239 -1.236) 4.451 6.472 ( -0.557 4.239 -1.236) 4.451 6.683 ( -2.126 -3.762 -0.544) 4.355 6.683 ( -2.126 3.762 -0.544) 4.355 6.925 ( 0.378 -1.577 -2.951) 3.367 6.925 ( 0.378 1.577 -2.951) 3.367 7.210 ( 1.264 -3.469 -2.418) 4.413 7.210 ( 1.264 3.469 -2.418) 4.413 7.558 ( 4.942 -2.485 -1.834) 5.828 7.558 ( 4.942 2.485 -1.834) 5.828 8.110 ( -0.962 -3.658 -1.037) 3.921 8.110 ( -0.962 3.658 -1.037) 3.921 8.408 ( -2.905 -8.136 -3.269) 9.237 8.408 ( -2.905 8.136 -3.269) 9.237 9.330 ( 4.472 -4.069 -0.200) 6.050 9.330 ( 4.472 4.069 -0.200) 6.050 9.906 ( -6.058 -1.763 1.336) 6.449 9.906 ( -6.058 1.763 1.336) 6.449 10.802 ( 5.312 -2.046 -1.577) 5.907 10.802 ( 5.312 2.046 -1.577) 5.907 11.991 ( 2.374 -3.465 6.805) 7.996 11.991 ( 2.374 3.465 6.805) 7.996 12.472 ( 5.729 -3.921 -0.966) 7.010 12.472 ( 5.729 3.921 -0.966) 7.010 13.275 ( 6.170 -1.192 -3.370) 7.130 13.275 ( 6.170 1.192 -3.370) 7.130 13.891 ( -3.313 -5.905 -1.729) 6.988 13.891 ( -3.313 5.905 -1.729) 6.988 14.338 ( -5.084 -4.155 4.806) 8.137 14.338 ( -5.084 4.155 4.806) 8.137 14.933 ( -7.635 -3.446 -4.271) 9.402 14.933 ( -7.635 3.446 -4.271) 9.402 15.943 ( -6.091 -5.858 5.442) 10.051 15.943 ( -6.091 5.858 5.442) 10.051 19.303 ( -2.524 -3.470 0.043) 4.291 19.303 ( -2.524 3.470 0.043) 4.291 24.617 ( -3.008 -1.049 0.126) 3.188 24.617 ( -3.008 1.049 0.126) 3.188 25.568 ( -2.065 -5.510 0.673) 5.923 25.568 ( -2.065 5.510 0.673) 5.923 26.764 ( 8.488 -5.901 1.716) 10.480 26.764 ( 8.488 5.901 1.716) 10.480 27.439 ( 6.279 -1.999 -4.945) 8.238 27.439 ( 6.279 1.999 -4.945) 8.238 28.628 ( 0.989 -7.041 1.200) 7.211 28.628 ( 0.989 7.041 1.200) 7.211 29.750 ( -1.886 -12.397 -3.794) 13.101 29.750 ( -1.886 12.397 -3.794) 13.101 31.298 ( -5.650 -2.699 3.618) 7.232 31.298 ( -5.650 2.699 3.618) 7.232 ======================= Grid point 83 (43/108) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 5.970 -2.551 0.661) 6.525 2.031 ( 5.970 2.551 0.661) 6.525 2.221 ( 7.466 -6.097 0.881) 9.680 2.221 ( 7.466 6.097 0.881) 9.680 2.481 ( -1.452 -1.735 1.139) 2.533 2.481 ( -1.452 1.735 1.139) 2.533 2.694 ( 0.694 -4.613 1.458) 4.887 2.694 ( 0.694 4.613 1.458) 4.887 2.962 ( 2.951 -2.174 0.081) 3.667 2.962 ( 2.951 2.174 0.081) 3.667 3.058 ( 3.909 -3.837 2.268) 5.928 3.058 ( 3.909 3.837 2.268) 5.928 3.253 ( -2.341 -5.711 -2.992) 6.859 3.253 ( -2.341 5.711 -2.992) 6.859 3.468 ( -0.505 -2.472 -2.080) 3.270 3.468 ( -0.505 2.472 -2.080) 3.270 3.566 ( -1.250 -4.045 2.993) 5.185 3.566 ( -1.250 4.045 2.993) 5.185 3.894 ( 2.345 -3.550 -1.131) 4.402 3.894 ( 2.345 3.550 -1.131) 4.402 4.071 ( -1.330 -1.341 -0.789) 2.047 4.071 ( -1.330 1.341 -0.789) 2.047 4.322 ( -5.383 -1.231 2.135) 5.920 4.322 ( -5.383 1.231 2.135) 5.920 4.455 ( 0.000 -2.921 -2.064) 3.577 4.455 ( 0.000 2.921 -2.064) 3.577 4.655 ( -1.389 -3.075 3.005) 4.518 4.655 ( -1.389 3.075 3.005) 4.518 4.854 ( -1.127 -2.849 2.251) 3.802 4.854 ( -1.127 2.849 2.251) 3.802 4.975 ( 0.734 -2.937 -4.525) 5.444 4.975 ( 0.734 2.937 -4.525) 5.444 5.153 ( -3.610 -3.298 1.223) 5.041 5.153 ( -3.610 3.298 1.223) 5.041 5.297 ( 0.005 -2.306 5.064) 5.564 5.297 ( 0.005 2.306 5.064) 5.564 5.755 ( 4.668 -3.176 -2.191) 6.056 5.755 ( 4.668 3.176 -2.191) 6.056 6.078 ( -0.697 -3.155 0.928) 3.362 6.078 ( -0.697 3.155 0.928) 3.362 6.458 ( 0.425 -4.747 -3.245) 5.766 6.458 ( 0.425 4.747 -3.245) 5.766 6.661 ( -0.200 -2.411 2.530) 3.501 6.661 ( -0.200 2.411 2.530) 3.501 6.947 ( 2.913 -1.229 0.974) 3.308 6.947 ( 2.913 1.229 0.974) 3.308 7.191 ( -2.301 -2.751 -0.599) 3.636 7.191 ( -2.301 2.751 -0.599) 3.636 7.610 ( 2.410 -1.303 -2.389) 3.635 7.610 ( 2.410 1.303 -2.389) 3.635 8.102 ( 0.618 -2.206 -0.434) 2.331 8.102 ( 0.618 2.206 -0.434) 2.331 8.372 ( 0.312 -5.705 -2.154) 6.106 8.372 ( 0.312 5.705 -2.154) 6.106 9.415 ( 3.666 -3.696 1.792) 5.506 9.415 ( 3.666 3.696 1.792) 5.506 9.815 ( -3.853 -0.808 -0.079) 3.938 9.815 ( -3.853 0.808 -0.079) 3.938 10.866 ( 2.721 -1.500 -2.058) 3.727 10.866 ( 2.721 1.500 -2.058) 3.727 12.017 ( -2.303 -3.421 2.410) 4.777 12.017 ( -2.303 3.421 2.410) 4.777 12.590 ( 5.387 -1.572 2.011) 5.961 12.590 ( 5.387 1.572 2.011) 5.961 13.361 ( 5.756 -0.844 -4.878) 7.591 13.361 ( 5.756 0.844 -4.878) 7.591 13.849 ( -0.481 -6.082 -0.106) 6.102 13.849 ( -0.481 6.082 -0.106) 6.102 14.264 ( -5.293 -2.590 3.148) 6.681 14.264 ( -5.293 2.590 3.148) 6.681 14.805 ( -3.682 -2.812 -0.947) 4.729 14.805 ( -3.682 2.812 -0.947) 4.729 15.857 ( -5.315 -6.128 1.811) 8.311 15.857 ( -5.315 6.128 1.811) 8.311 19.269 ( -1.056 -2.568 0.223) 2.786 19.269 ( -1.056 2.568 0.223) 2.786 24.572 ( -1.703 -0.679 -0.255) 1.851 24.572 ( -1.703 0.679 -0.255) 1.851 25.546 ( -1.117 -4.796 1.841) 5.257 25.546 ( -1.117 4.796 1.841) 5.257 26.866 ( 2.959 -4.269 -5.170) 7.329 26.866 ( 2.959 4.269 -5.170) 7.329 27.537 ( 5.406 -1.295 2.302) 6.016 27.537 ( 5.406 1.295 2.302) 6.016 28.661 ( 0.899 -7.906 2.377) 8.305 28.661 ( 0.899 7.906 2.377) 8.305 29.703 ( -0.517 -9.589 -3.428) 10.196 29.703 ( -0.517 9.589 -3.428) 10.196 31.223 ( -3.893 -1.248 1.431) 4.331 31.223 ( -3.893 1.248 1.431) 4.331 ======================= Grid point 85 (44/108) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -1.821 -1.642 -2.467) 3.478 2.065 ( -1.821 1.642 -2.467) 3.478 2.316 ( 2.272 -4.950 -0.688) 5.490 2.316 ( 2.272 4.950 -0.688) 5.490 2.440 ( -3.283 -2.670 2.829) 5.091 2.440 ( -3.283 2.670 2.829) 5.091 2.710 ( -1.706 -0.736 0.746) 2.002 2.710 ( -1.706 0.736 0.746) 2.002 2.953 ( -2.671 -5.743 -2.708) 6.888 2.953 ( -2.671 5.743 -2.708) 6.888 3.120 ( 0.959 -2.834 1.814) 3.498 3.120 ( 0.959 2.834 1.814) 3.498 3.217 ( 0.788 -4.570 -1.922) 5.019 3.217 ( 0.788 4.570 -1.922) 5.019 3.470 ( 1.244 -3.291 1.372) 3.776 3.470 ( 1.244 3.291 1.372) 3.776 3.584 ( 1.379 -4.866 2.153) 5.496 3.584 ( 1.379 4.866 2.153) 5.496 3.922 ( 0.709 -0.916 -0.304) 1.198 3.922 ( 0.709 0.916 -0.304) 1.198 4.069 ( 1.747 -0.842 -1.465) 2.431 4.069 ( 1.747 0.842 -1.465) 2.431 4.225 ( -4.547 -0.592 -0.502) 4.612 4.225 ( -4.547 0.592 -0.502) 4.612 4.416 ( -0.587 -3.156 -5.286) 6.184 4.416 ( -0.587 3.156 -5.286) 6.184 4.653 ( -1.955 -4.468 3.725) 6.137 4.653 ( -1.955 4.468 3.725) 6.137 4.861 ( 1.141 -3.381 1.618) 3.918 4.861 ( 1.141 3.381 1.618) 3.918 4.967 ( 0.696 -5.439 -3.966) 6.767 4.967 ( 0.696 5.439 -3.966) 6.767 5.094 ( -2.451 -1.777 2.403) 3.865 5.094 ( -2.451 1.777 2.403) 3.865 5.319 ( -1.527 -2.272 3.160) 4.181 5.319 ( -1.527 2.272 3.160) 4.181 5.803 ( 2.129 -2.704 -1.971) 3.966 5.803 ( 2.129 2.704 -1.971) 3.966 6.052 ( -2.216 -2.343 -0.366) 3.246 6.052 ( -2.216 2.343 -0.366) 3.246 6.444 ( 0.505 -2.267 -2.550) 3.449 6.444 ( 0.505 2.267 -2.550) 3.449 6.697 ( 0.802 -3.647 3.582) 5.174 6.697 ( 0.802 3.647 3.582) 5.174 7.011 ( 0.864 -2.140 3.268) 4.001 7.011 ( 0.864 2.140 3.268) 4.001 7.171 ( 1.852 -1.077 1.536) 2.636 7.171 ( 1.852 1.077 1.536) 2.636 7.624 ( 0.706 -1.606 -2.634) 3.165 7.624 ( 0.706 1.606 -2.634) 3.165 8.117 ( 0.785 -2.599 0.386) 2.743 8.117 ( 0.785 2.599 0.386) 2.743 8.377 ( 1.519 -3.680 -1.869) 4.398 8.377 ( 1.519 3.680 -1.869) 4.398 9.472 ( 0.422 -2.811 3.433) 4.457 9.472 ( 0.422 2.811 3.433) 4.457 9.768 ( -0.715 -0.745 -1.160) 1.553 9.768 ( -0.715 0.745 -1.160) 1.553 10.876 ( -0.050 -0.913 -2.956) 3.094 10.876 ( -0.050 0.913 -2.956) 3.094 11.955 ( -4.113 -5.006 -1.385) 6.626 11.955 ( -4.113 5.006 -1.385) 6.626 12.669 ( 0.777 -2.759 3.831) 4.784 12.669 ( 0.777 2.759 3.831) 4.784 13.420 ( 2.907 -1.020 -4.438) 5.402 13.420 ( 2.907 1.020 -4.438) 5.402 13.864 ( 1.451 -6.449 1.291) 6.736 13.864 ( 1.451 6.449 1.291) 6.736 14.191 ( -3.763 -1.431 1.883) 4.445 14.191 ( -3.763 1.431 1.883) 4.445 14.800 ( 3.313 -1.746 1.346) 3.979 14.800 ( 3.313 1.746 1.346) 3.979 15.776 ( -3.331 -6.647 -1.225) 7.536 15.776 ( -3.331 6.647 -1.225) 7.536 19.266 ( 0.365 -1.662 0.662) 1.826 19.266 ( 0.365 1.662 0.662) 1.826 24.551 ( -0.177 -0.328 -0.587) 0.695 24.551 ( -0.177 0.328 -0.587) 0.695 25.550 ( 0.062 -4.738 2.743) 5.475 25.550 ( 0.062 4.738 2.743) 5.475 26.817 ( -2.407 -2.622 -9.785) 10.412 26.817 ( -2.407 2.622 -9.785) 10.412 27.661 ( 3.831 -1.066 7.460) 8.454 27.661 ( 3.831 1.066 7.460) 8.454 28.683 ( -0.387 -7.426 2.959) 8.003 28.683 ( -0.387 7.426 2.959) 8.003 29.687 ( 1.063 -8.501 -3.419) 9.224 29.687 ( 1.063 8.501 -3.419) 9.224 31.174 ( -1.722 -0.380 -0.173) 1.772 31.174 ( -1.722 0.380 -0.173) 1.772 ======================= Grid point 87 (45/108) ======================= q-point: (-0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -7.925 -4.598 -2.258) 9.436 1.953 ( -7.925 4.598 -2.258) 9.436 2.279 ( -6.764 -4.324 0.276) 8.033 2.279 ( -6.764 4.324 0.276) 8.033 2.399 ( -3.612 -3.043 2.288) 5.248 2.399 ( -3.612 3.043 2.288) 5.248 2.611 ( -6.142 -2.352 -2.903) 7.190 2.611 ( -6.142 2.352 -2.903) 7.190 2.866 ( -3.501 -4.785 -1.995) 6.256 2.866 ( -3.501 4.785 -1.995) 6.256 3.126 ( -2.462 -2.211 1.772) 3.754 3.126 ( -2.462 2.211 1.772) 3.754 3.265 ( 5.103 -2.671 -1.402) 5.928 3.265 ( 5.103 2.671 -1.402) 5.928 3.495 ( 0.130 -4.091 0.076) 4.094 3.495 ( 0.130 4.091 0.076) 4.094 3.635 ( 1.355 -2.228 3.434) 4.312 3.635 ( 1.355 2.228 3.434) 4.312 3.893 ( -2.887 -4.703 -1.238) 5.655 3.893 ( -2.887 4.703 -1.238) 5.655 4.104 ( 0.435 -2.467 -3.755) 4.514 4.104 ( 0.435 2.467 -3.755) 4.514 4.179 ( 2.492 -1.998 -2.179) 3.867 4.179 ( 2.492 1.998 -2.179) 3.867 4.401 ( 2.518 -1.831 -1.708) 3.551 4.401 ( 2.518 1.831 -1.708) 3.551 4.646 ( -0.234 -5.836 2.829) 6.489 4.646 ( -0.234 5.836 2.829) 6.489 4.868 ( -1.966 -6.282 -0.104) 6.583 4.868 ( -1.966 6.282 -0.104) 6.583 4.978 ( 2.690 -3.864 0.758) 4.769 4.978 ( 2.690 3.864 0.758) 4.769 5.116 ( 2.337 -4.687 3.402) 6.245 5.116 ( 2.337 4.687 3.402) 6.245 5.290 ( -2.161 -1.825 2.158) 3.558 5.290 ( -2.161 1.825 2.158) 3.558 5.805 ( -0.900 -1.440 -2.761) 3.241 5.805 ( -0.900 1.440 -2.761) 3.241 5.990 ( -3.700 -3.906 -0.754) 5.433 5.990 ( -3.700 3.906 -0.754) 5.433 6.446 ( 0.512 -2.222 -1.419) 2.686 6.446 ( 0.512 2.222 -1.419) 2.686 6.701 ( -1.682 -4.323 1.430) 4.854 6.701 ( -1.682 4.323 1.430) 4.854 7.063 ( 2.206 -1.168 4.943) 5.537 7.063 ( 2.206 1.168 4.943) 5.537 7.231 ( 2.038 -2.613 0.932) 3.443 7.231 ( 2.038 2.613 0.932) 3.443 7.604 ( -1.019 -1.270 -2.992) 3.406 7.604 ( -1.019 1.270 -2.992) 3.406 8.135 ( 0.601 -1.834 0.875) 2.119 8.135 ( 0.601 1.834 0.875) 2.119 8.415 ( 3.936 -3.397 -0.597) 5.233 8.415 ( 3.936 3.397 -0.597) 5.233 9.481 ( -2.092 -1.577 5.155) 5.782 9.481 ( -2.092 1.577 5.155) 5.782 9.765 ( 1.487 -2.181 -2.743) 3.807 9.765 ( 1.487 2.181 -2.743) 3.807 10.828 ( -2.575 -2.315 -4.091) 5.360 10.828 ( -2.575 2.315 -4.091) 5.360 11.862 ( -4.173 -6.610 -2.233) 8.130 11.862 ( -4.173 6.610 -2.233) 8.130 12.669 ( -3.441 -3.732 4.568) 6.830 12.669 ( -3.441 3.732 4.568) 6.830 13.388 ( -3.289 -0.690 -4.689) 5.769 13.388 ( -3.289 0.690 -4.689) 5.769 13.907 ( 1.300 -6.428 1.889) 6.825 13.907 ( 1.300 6.428 1.889) 6.825 14.177 ( 1.751 -0.965 2.135) 2.925 14.177 ( 1.751 0.965 2.135) 2.925 14.938 ( 9.471 -1.135 2.242) 9.798 14.938 ( 9.471 1.135 2.242) 9.798 15.721 ( -0.979 -7.528 -2.784) 8.086 15.721 ( -0.979 7.528 -2.784) 8.086 19.288 ( 1.343 -0.972 0.866) 1.870 19.288 ( 1.343 0.972 0.866) 1.870 24.559 ( 1.471 -0.472 -0.723) 1.706 24.559 ( 1.471 0.472 -0.723) 1.706 25.584 ( 1.440 -5.481 3.603) 6.715 25.584 ( 1.440 5.481 3.603) 6.715 26.674 ( -5.690 -2.367 -10.162) 11.885 26.674 ( -5.690 2.367 -10.162) 11.885 27.745 ( -0.626 -3.623 7.396) 8.259 27.745 ( -0.626 3.623 7.396) 8.259 28.692 ( -0.673 -5.523 4.093) 6.907 28.692 ( -0.673 5.523 4.093) 6.907 29.695 ( 2.254 -9.759 -4.416) 10.946 29.695 ( 2.254 9.759 -4.416) 10.946 31.159 ( 0.560 -0.812 -0.680) 1.198 31.159 ( 0.560 0.812 -0.680) 1.198 ======================= Grid point 89 (46/108) ======================= q-point: (-0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -11.875 -10.684 -0.582) 15.984 1.755 ( -11.875 10.684 -0.582) 15.984 2.031 ( -18.851 -10.605 0.178) 21.630 2.031 ( -18.851 10.605 0.178) 21.630 2.323 ( -4.175 -3.726 -0.089) 5.597 2.323 ( -4.175 3.726 -0.089) 5.597 2.554 ( 0.610 -3.700 -0.341) 3.766 2.554 ( 0.610 3.700 -0.341) 3.766 2.801 ( -2.767 -3.367 -0.439) 4.380 2.801 ( -2.767 3.367 -0.439) 4.380 3.073 ( -3.845 -4.627 2.158) 6.391 3.073 ( -3.845 4.627 2.158) 6.391 3.304 ( -3.488 -4.413 -2.925) 6.340 3.304 ( -3.488 4.413 -2.925) 6.340 3.465 ( -1.512 -2.012 1.273) 2.820 3.465 ( -1.512 2.012 1.273) 2.820 3.653 ( -1.049 -0.829 0.283) 1.367 3.653 ( -1.049 0.829 0.283) 1.367 3.848 ( 0.039 -3.483 -0.609) 3.536 3.848 ( 0.039 3.483 -0.609) 3.536 4.035 ( -2.387 -3.734 -2.540) 5.108 4.035 ( -2.387 3.734 -2.540) 5.108 4.264 ( 6.184 -4.115 -3.285) 8.122 4.264 ( 6.184 4.115 -3.285) 8.122 4.469 ( 2.387 -5.728 1.277) 6.335 4.469 ( 2.387 5.728 1.277) 6.335 4.700 ( 4.390 -3.486 1.550) 5.816 4.700 ( 4.390 3.486 1.550) 5.816 4.862 ( 2.928 -4.854 0.527) 5.693 4.862 ( 2.928 4.854 0.527) 5.693 5.026 ( 1.236 -3.783 1.565) 4.276 5.026 ( 1.236 3.783 1.565) 4.276 5.177 ( 0.485 -5.810 2.793) 6.465 5.177 ( 0.485 5.810 2.793) 6.465 5.326 ( 4.917 -1.347 3.635) 6.262 5.326 ( 4.917 1.347 3.635) 6.262 5.736 ( -4.717 -2.920 -0.392) 5.562 5.736 ( -4.717 2.920 -0.392) 5.562 5.908 ( -4.067 -3.580 -1.621) 5.655 5.908 ( -4.067 3.580 -1.621) 5.655 6.432 ( -0.855 -2.788 -1.240) 3.169 6.432 ( -0.855 2.788 -1.240) 3.169 6.679 ( -1.481 -4.120 -0.277) 4.387 6.679 ( -1.481 4.120 -0.277) 4.387 7.070 ( -3.633 -1.603 0.269) 3.981 7.070 ( -3.633 1.603 0.269) 3.981 7.309 ( 5.404 -2.140 3.428) 6.748 7.309 ( 5.404 2.140 3.428) 6.748 7.530 ( -4.899 -4.652 -3.739) 7.721 7.530 ( -4.899 4.652 -3.739) 7.721 8.139 ( -0.609 -0.934 -0.180) 1.130 8.139 ( -0.609 0.934 -0.180) 1.130 8.536 ( 8.940 -4.602 0.528) 10.069 8.536 ( 8.940 4.602 0.528) 10.069 9.467 ( -3.143 -1.387 6.235) 7.118 9.467 ( -3.143 1.387 6.235) 7.118 9.782 ( 2.715 -3.246 -4.564) 6.224 9.782 ( 2.715 3.246 -4.564) 6.224 10.733 ( -4.348 -3.256 -4.670) 7.164 10.733 ( -4.348 3.256 -4.670) 7.164 11.786 ( -2.584 -6.456 -0.248) 6.959 11.786 ( -2.584 6.456 -0.248) 6.959 12.600 ( -7.085 -4.597 4.635) 9.634 12.600 ( -7.085 4.597 4.635) 9.634 13.257 ( -6.212 -0.835 -5.915) 8.618 13.257 ( -6.212 0.835 -5.915) 8.618 13.929 ( 0.695 -5.624 0.593) 5.698 13.929 ( 0.695 5.624 0.593) 5.698 14.279 ( 5.622 -2.671 5.248) 8.141 14.279 ( 5.622 2.671 5.248) 8.141 15.154 ( 11.825 -1.884 0.224) 11.976 15.154 ( 11.825 1.884 0.224) 11.976 15.710 ( 1.377 -8.374 -1.195) 8.570 15.710 ( 1.377 8.374 -1.195) 8.570 19.323 ( 1.763 -0.984 0.739) 2.150 19.323 ( 1.763 0.984 0.739) 2.150 24.598 ( 3.073 -1.002 -0.565) 3.281 24.598 ( 3.073 1.002 -0.565) 3.281 25.651 ( 3.013 -7.108 4.473) 8.922 25.651 ( 3.013 7.108 4.473) 8.922 26.490 ( -7.156 -2.393 -8.553) 11.405 26.490 ( -7.156 2.393 -8.553) 11.405 27.711 ( -7.221 -8.392 3.952) 11.756 27.711 ( -7.221 8.392 3.952) 11.756 28.723 ( 0.743 -2.981 5.871) 6.627 28.723 ( 0.743 2.981 5.871) 6.627 29.711 ( 3.074 -12.035 -6.681) 14.104 29.711 ( 3.074 12.035 -6.681) 14.104 31.189 ( 2.839 -1.739 0.313) 3.344 31.189 ( 2.839 1.739 0.313) 3.344 ======================= Grid point 91 (47/108) ======================= q-point: (-0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -14.012 -15.792 1.731) 21.183 1.512 ( -14.012 15.792 1.731) 21.183 1.661 ( -19.245 -13.985 2.399) 23.911 1.661 ( -19.245 13.985 2.399) 23.911 2.247 ( -5.055 -4.975 0.865) 7.145 2.247 ( -5.055 4.975 0.865) 7.145 2.554 ( -3.107 -3.202 2.716) 5.223 2.554 ( -3.107 3.202 2.716) 5.223 2.753 ( -2.748 -3.593 1.373) 4.727 2.753 ( -2.748 3.593 1.373) 4.727 3.002 ( -5.333 -7.696 1.829) 9.540 3.002 ( -5.333 7.696 1.829) 9.540 3.136 ( -6.856 -7.846 -1.639) 10.548 3.136 ( -6.856 7.846 -1.639) 10.548 3.464 ( -1.650 -5.641 1.191) 5.996 3.464 ( -1.650 5.641 1.191) 5.996 3.647 ( 2.533 -4.152 -2.315) 5.386 3.647 ( 2.533 4.152 -2.315) 5.386 3.875 ( 2.083 -3.530 -0.579) 4.139 3.875 ( 2.083 3.530 -0.579) 4.139 4.020 ( 1.417 -3.372 0.157) 3.661 4.020 ( 1.417 3.372 0.157) 3.661 4.351 ( 5.139 -3.054 -3.618) 6.988 4.351 ( 5.139 3.054 -3.618) 6.988 4.477 ( -0.619 -9.253 -0.450) 9.284 4.477 ( -0.619 9.253 -0.450) 9.284 4.791 ( 3.588 -1.401 1.815) 4.258 4.791 ( 3.588 1.401 1.815) 4.258 4.957 ( 4.155 -3.350 -1.771) 5.623 4.957 ( 4.155 3.350 -1.771) 5.623 5.072 ( 3.076 -2.752 2.674) 4.917 5.072 ( 3.076 2.752 2.674) 4.917 5.195 ( 1.228 -2.493 1.476) 3.146 5.195 ( 1.228 2.493 1.476) 3.146 5.449 ( 3.992 -0.941 2.182) 4.645 5.449 ( 3.992 0.941 2.182) 4.645 5.656 ( -4.273 -5.100 4.552) 8.062 5.656 ( -4.273 5.100 4.552) 8.062 5.841 ( -1.823 -1.630 0.681) 2.538 5.841 ( -1.823 1.630 0.681) 2.538 6.408 ( -0.752 -2.265 -1.385) 2.759 6.408 ( -0.752 2.265 -1.385) 2.759 6.610 ( -5.090 -2.877 -2.013) 6.184 6.610 ( -5.090 2.877 -2.013) 6.184 6.988 ( -5.139 -2.979 -1.719) 6.184 6.988 ( -5.139 2.979 -1.719) 6.184 7.311 ( -8.254 -4.222 -2.497) 9.601 7.311 ( -8.254 4.222 -2.497) 9.601 7.498 ( 5.482 -1.536 1.527) 5.894 7.498 ( 5.482 1.536 1.527) 5.894 8.114 ( -1.394 -1.888 -0.867) 2.501 8.114 ( -1.394 1.888 -0.867) 2.501 8.729 ( 11.093 -6.599 -2.320) 13.115 8.729 ( 11.093 6.599 -2.320) 13.115 9.447 ( -2.836 -1.528 5.509) 6.382 9.447 ( -2.836 1.528 5.509) 6.382 9.805 ( 2.997 -3.981 -5.083) 7.118 9.805 ( 2.997 3.981 -5.083) 7.118 10.614 ( -4.960 -2.931 -4.288) 7.182 10.614 ( -4.960 2.931 -4.288) 7.182 11.773 ( -0.227 -3.501 4.034) 5.346 11.773 ( -0.227 3.501 4.034) 5.346 12.466 ( -9.074 -4.541 2.399) 10.426 12.466 ( -9.074 4.541 2.399) 10.426 13.110 ( -4.840 -2.017 -5.535) 7.624 13.110 ( -4.840 2.017 -5.535) 7.624 13.956 ( 2.327 -4.309 -0.378) 4.912 13.956 ( 2.327 4.309 -0.378) 4.912 14.420 ( 4.127 -6.673 8.462) 11.540 14.420 ( 4.127 6.673 8.462) 11.540 15.345 ( 9.474 -2.250 -5.572) 11.219 15.345 ( 9.474 2.250 -5.572) 11.219 15.774 ( 4.609 -8.645 4.549) 10.802 15.774 ( 4.609 8.645 4.549) 10.802 19.361 ( 1.740 -1.730 0.840) 2.594 19.361 ( 1.740 1.730 0.840) 2.594 24.665 ( 4.121 -1.559 -0.111) 4.407 24.665 ( 4.121 1.559 -0.111) 4.407 25.753 ( 4.580 -9.139 4.670) 11.238 25.753 ( 4.580 9.139 4.670) 11.238 26.313 ( -6.158 -1.730 -6.096) 8.836 26.313 ( -6.158 1.730 -6.096) 8.836 27.524 ( -13.567 -10.911 -0.248) 17.412 27.524 ( -13.567 10.911 -0.248) 17.412 28.786 ( 1.520 -1.230 5.600) 5.932 28.786 ( 1.520 1.230 5.600) 5.932 29.728 ( 4.181 -12.624 -8.606) 15.840 29.728 ( 4.181 12.624 -8.606) 15.840 31.273 ( 5.091 -3.325 2.643) 6.630 31.273 ( 5.091 3.325 2.643) 6.630 ======================= Grid point 93 (48/108) ======================= q-point: (-0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -11.213 -11.710 7.460) 17.846 1.285 ( -11.213 11.710 7.460) 17.846 1.405 ( -10.984 -11.845 7.882) 17.975 1.405 ( -10.984 11.845 7.882) 17.975 2.113 ( -10.435 -12.832 5.405) 17.400 2.113 ( -10.435 12.832 5.405) 17.400 2.481 ( -4.078 -5.650 1.564) 7.141 2.481 ( -4.078 5.650 1.564) 7.141 2.728 ( -0.587 -6.630 2.438) 7.089 2.728 ( -0.587 6.630 2.438) 7.089 2.942 ( -2.172 -4.498 0.334) 5.006 2.942 ( -2.172 4.498 0.334) 5.006 3.076 ( -0.664 -8.790 0.783) 8.849 3.076 ( -0.664 8.790 0.783) 8.849 3.415 ( -2.536 -5.159 -2.266) 6.179 3.415 ( -2.536 5.159 -2.266) 6.179 3.697 ( 2.678 -6.636 -3.284) 7.873 3.697 ( 2.678 6.636 -3.284) 7.873 3.903 ( 2.272 -2.214 -0.343) 3.191 3.903 ( 2.272 2.214 -0.343) 3.191 4.080 ( 3.536 -3.952 1.708) 5.571 4.080 ( 3.536 3.952 1.708) 5.571 4.362 ( -2.216 -4.433 -1.705) 5.241 4.362 ( -2.216 4.433 -1.705) 5.241 4.523 ( 7.082 -6.423 -2.070) 9.782 4.523 ( 7.082 6.423 -2.070) 9.782 4.849 ( 0.988 -0.638 1.373) 1.808 4.849 ( 0.988 0.638 1.373) 1.808 4.967 ( -1.520 -4.162 1.440) 4.659 4.967 ( -1.520 4.162 1.440) 4.659 5.135 ( 3.688 -2.995 -2.593) 5.412 5.135 ( 3.688 2.995 -2.593) 5.412 5.260 ( 3.898 -3.219 -0.381) 5.070 5.260 ( 3.898 3.219 -0.381) 5.070 5.482 ( -1.006 -2.393 2.570) 3.653 5.482 ( -1.006 2.393 2.570) 3.653 5.631 ( -2.469 -2.991 3.040) 4.927 5.631 ( -2.469 2.991 3.040) 4.927 5.855 ( -0.475 -2.822 5.479) 6.181 5.855 ( -0.475 2.822 5.479) 6.181 6.389 ( -0.458 -2.899 -0.925) 3.078 6.389 ( -0.458 2.899 -0.925) 3.078 6.475 ( -7.314 -1.919 -2.703) 8.031 6.475 ( -7.314 1.919 -2.703) 8.031 6.813 ( -9.195 -3.359 -1.246) 9.868 6.813 ( -9.195 3.359 -1.246) 9.868 7.195 ( -1.506 -2.940 -1.944) 3.833 7.195 ( -1.506 2.940 -1.944) 3.833 7.596 ( 3.055 -1.192 -0.228) 3.288 7.596 ( 3.055 1.192 -0.228) 3.288 8.091 ( -0.433 -2.882 0.021) 2.915 8.091 ( -0.433 2.882 0.021) 2.915 8.881 ( 7.576 -10.097 -7.472) 14.668 8.881 ( 7.576 10.097 -7.472) 14.668 9.415 ( -3.355 -1.453 -0.550) 3.698 9.415 ( -3.355 1.453 -0.550) 3.698 9.852 ( 4.666 -3.974 0.226) 6.133 9.852 ( 4.666 3.974 0.226) 6.133 10.513 ( -2.701 -2.022 -2.952) 4.483 10.513 ( -2.701 2.022 -2.952) 4.483 11.790 ( -3.255 -0.933 6.051) 6.933 11.790 ( -3.255 0.933 6.051) 6.933 12.339 ( -3.530 -1.673 0.669) 3.963 12.339 ( -3.530 1.673 0.669) 3.963 13.023 ( -1.514 -2.637 -2.820) 4.147 13.023 ( -1.514 2.637 -2.820) 4.147 14.011 ( 3.747 -4.364 -0.939) 5.828 14.011 ( 3.747 4.364 -0.939) 5.828 14.516 ( -0.739 -10.540 9.650) 14.310 14.516 ( -0.739 10.540 9.650) 14.310 15.438 ( 5.481 -2.790 -8.001) 10.091 15.438 ( 5.481 2.790 -8.001) 10.091 15.915 ( 4.957 -7.721 7.238) 11.687 15.915 ( 4.957 7.721 7.238) 11.687 19.399 ( 1.362 -2.660 1.856) 3.518 19.399 ( 1.362 2.660 1.856) 3.518 24.740 ( 3.322 -2.164 0.426) 3.987 24.740 ( 3.322 2.164 0.426) 3.987 25.856 ( 3.012 -8.174 0.830) 8.751 25.856 ( 3.012 8.174 0.830) 8.751 26.211 ( -1.018 -1.064 -2.016) 2.496 26.211 ( -1.018 1.064 -2.016) 2.496 27.234 ( -14.479 -6.392 -2.298) 15.993 27.234 ( -14.479 6.392 -2.298) 15.993 28.821 ( -0.714 -0.699 0.923) 1.360 28.821 ( -0.714 0.699 0.923) 1.360 29.772 ( 5.999 -9.028 -7.195) 13.010 29.772 ( 5.999 9.028 -7.195) 13.010 31.403 ( 5.446 -6.420 4.793) 9.687 31.403 ( 5.446 6.420 4.793) 9.687 ======================= Grid point 105 (49/108) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -3.747 0.000 24.789) 25.070 1.204 ( -1.364 0.000 29.883) 29.914 1.862 ( -3.069 0.000 28.392) 28.557 2.085 ( -8.581 0.000 1.787) 8.765 2.133 ( 4.285 0.000 6.183) 7.523 2.223 ( 0.740 0.000 -3.153) 3.238 2.281 ( 3.550 0.000 7.971) 8.726 2.499 ( -1.827 0.000 -2.026) 2.728 2.542 ( -0.669 0.000 1.984) 2.093 2.719 ( 0.448 0.000 5.033) 5.053 2.805 ( 0.512 0.000 -7.102) 7.120 2.824 ( 3.810 0.000 2.919) 4.800 3.072 ( -3.651 0.000 -0.430) 3.676 3.211 ( 0.631 0.000 -0.801) 1.020 3.321 ( 0.530 0.000 0.242) 0.582 3.443 ( 2.948 0.000 -1.204) 3.185 3.512 ( 0.306 0.000 -4.975) 4.985 3.801 ( -3.612 0.000 0.069) 3.613 3.903 ( -8.161 0.000 1.358) 8.273 3.984 ( 0.345 0.000 0.873) 0.939 4.142 ( -3.157 0.000 -0.822) 3.262 4.225 ( 3.948 0.000 -0.608) 3.995 4.296 ( 1.153 0.000 -5.273) 5.398 4.448 ( 6.348 0.000 -6.001) 8.736 4.502 ( -1.080 0.000 0.939) 1.431 4.713 ( 1.040 0.000 0.175) 1.054 4.728 ( 4.082 0.000 -4.531) 6.099 4.807 ( -1.350 0.000 0.502) 1.440 4.939 ( -2.417 0.000 4.930) 5.491 5.035 ( -0.919 0.000 -0.181) 0.937 5.060 ( 0.481 0.000 -1.201) 1.294 5.149 ( 1.080 0.000 -4.614) 4.739 5.275 ( 4.741 0.000 -1.775) 5.062 5.324 ( -0.953 0.000 0.806) 1.248 5.428 ( -0.644 0.000 0.229) 0.683 5.577 ( -0.925 0.000 4.207) 4.307 5.580 ( -5.778 0.000 2.008) 6.116 5.713 ( -5.241 0.000 1.657) 5.497 5.762 ( -8.868 0.000 2.770) 9.290 5.995 ( -7.216 0.000 -0.425) 7.229 6.276 ( 2.475 0.000 1.205) 2.753 6.378 ( 0.691 0.000 4.741) 4.791 6.521 ( 5.063 0.000 5.326) 7.348 6.577 ( 10.756 0.000 -0.769) 10.783 6.692 ( 5.764 0.000 -0.599) 5.795 6.840 ( 0.747 0.000 -1.979) 2.115 7.046 ( -2.045 0.000 -5.221) 5.607 7.302 ( -0.526 0.000 -2.186) 2.248 7.369 ( -3.124 0.000 -7.972) 8.563 7.764 ( -0.366 0.000 -5.192) 5.205 7.939 ( 0.767 0.000 -0.433) 0.881 8.004 ( 2.228 0.000 -2.117) 3.073 8.403 ( -0.900 0.000 -2.635) 2.785 8.827 ( -3.296 0.000 -3.614) 4.891 9.208 ( -4.727 0.000 -4.226) 6.340 9.390 ( 2.229 0.000 -0.409) 2.266 10.011 ( 6.135 0.000 4.790) 7.783 10.069 ( -1.928 0.000 4.148) 4.574 10.418 ( 3.978 0.000 -3.543) 5.327 10.599 ( 1.473 0.000 0.808) 1.680 11.738 ( -4.811 0.000 3.375) 5.877 11.809 ( -5.024 0.000 1.985) 5.402 12.358 ( 1.090 0.000 2.720) 2.931 12.454 ( 3.957 0.000 2.349) 4.601 12.950 ( 2.473 0.000 0.379) 2.501 13.133 ( 1.696 0.000 1.709) 2.408 13.798 ( 0.880 0.000 3.342) 3.456 14.149 ( 2.770 0.000 -3.896) 4.780 14.358 ( -2.656 0.000 4.701) 5.400 14.838 ( -4.252 0.000 -9.696) 10.587 15.092 ( 0.099 0.000 -9.112) 9.112 15.710 ( -8.101 0.000 2.321) 8.427 16.197 ( 2.009 0.000 10.053) 10.252 16.317 ( 3.401 0.000 -7.039) 7.818 19.283 ( -0.309 0.000 -0.466) 0.559 19.681 ( -1.293 0.000 6.347) 6.477 24.705 ( 0.383 0.000 0.688) 0.787 24.939 ( -1.107 0.000 -1.941) 2.234 25.474 ( -4.123 0.000 3.270) 5.262 25.820 ( -4.592 0.000 -3.123) 5.554 26.088 ( 4.300 0.000 -0.106) 4.302 26.436 ( 1.678 0.000 4.675) 4.967 27.038 ( 1.707 0.000 -1.263) 2.123 27.049 ( -1.933 0.000 -1.429) 2.404 28.589 ( -2.472 0.000 -3.600) 4.367 28.951 ( -2.273 0.000 -0.887) 2.440 29.146 ( 2.703 0.000 1.244) 2.975 30.071 ( 7.906 0.000 -6.137) 10.009 31.378 ( -0.157 0.000 7.901) 7.903 31.942 ( 0.353 0.000 -3.755) 3.772 ======================= Grid point 106 (50/108) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 7.631 0.000 21.803) 23.100 1.417 ( 3.815 0.000 26.598) 26.871 2.018 ( 1.072 0.000 0.171) 1.086 2.040 ( 4.465 0.000 6.450) 7.844 2.201 ( 5.570 0.000 4.544) 7.188 2.352 ( 9.479 0.000 3.265) 10.026 2.403 ( 4.322 0.000 4.605) 6.316 2.500 ( 4.760 0.000 -7.270) 8.690 2.571 ( 3.673 0.000 -3.251) 4.905 2.785 ( 1.290 0.000 8.241) 8.341 2.800 ( 3.506 0.000 -4.182) 5.457 2.997 ( -1.149 0.000 3.070) 3.278 3.028 ( 7.360 0.000 14.726) 16.463 3.193 ( -0.960 0.000 -0.529) 1.096 3.342 ( 1.988 0.000 -0.162) 1.995 3.489 ( 0.875 0.000 -4.872) 4.950 3.536 ( 6.781 0.000 -2.288) 7.157 3.706 ( -5.068 0.000 1.786) 5.373 3.825 ( -2.175 0.000 1.989) 2.947 3.999 ( 0.098 0.000 1.268) 1.272 4.043 ( -4.632 0.000 -1.728) 4.944 4.237 ( -0.770 0.000 -6.173) 6.221 4.256 ( -2.144 0.000 -3.112) 3.779 4.391 ( -5.843 0.000 0.262) 5.849 4.560 ( 6.881 0.000 -2.117) 7.199 4.661 ( -6.809 0.000 -3.974) 7.884 4.748 ( -0.673 0.000 -2.087) 2.193 4.775 ( 0.993 0.000 -4.561) 4.668 4.944 ( -3.769 0.000 7.724) 8.594 5.031 ( -1.920 0.000 4.700) 5.077 5.047 ( -0.940 0.000 -3.870) 3.983 5.150 ( -0.092 0.000 -3.403) 3.404 5.260 ( -1.372 0.000 -0.223) 1.390 5.348 ( 3.776 0.000 0.745) 3.849 5.411 ( -4.164 0.000 -0.736) 4.229 5.473 ( -6.007 0.000 5.260) 7.984 5.584 ( -2.720 0.000 6.316) 6.877 5.695 ( -0.155 0.000 2.730) 2.734 5.737 ( 6.598 0.000 2.117) 6.930 5.915 ( 0.021 0.000 2.219) 2.219 6.322 ( 1.546 0.000 0.342) 1.584 6.437 ( -0.554 0.000 4.389) 4.423 6.625 ( 5.554 0.000 0.779) 5.608 6.755 ( 4.421 0.000 -2.815) 5.241 6.840 ( 10.619 0.000 -2.629) 10.940 6.893 ( 7.422 0.000 -8.741) 11.467 6.991 ( 0.656 0.000 -2.035) 2.139 7.168 ( -7.722 0.000 -5.603) 9.540 7.331 ( -0.252 0.000 -1.492) 1.513 7.688 ( -3.252 0.000 -4.375) 5.451 7.942 ( 0.485 0.000 -1.627) 1.698 8.030 ( 1.982 0.000 -2.928) 3.536 8.344 ( -3.806 0.000 -2.078) 4.336 8.764 ( -1.717 0.000 -0.672) 1.843 9.123 ( -1.928 0.000 -1.018) 2.180 9.416 ( 0.763 0.000 -0.927) 1.201 10.003 ( -4.614 0.000 -0.010) 4.614 10.126 ( 0.133 0.000 5.175) 5.176 10.499 ( 7.391 0.000 -3.493) 8.175 10.650 ( 3.529 0.000 -0.459) 3.558 11.793 ( 6.321 0.000 5.110) 8.128 11.804 ( 3.747 0.000 4.232) 5.652 12.341 ( -3.993 0.000 1.194) 4.167 12.514 ( 1.659 0.000 0.216) 1.673 13.013 ( 4.197 0.000 -0.869) 4.286 13.174 ( 1.791 0.000 0.816) 1.968 13.804 ( -2.077 0.000 2.095) 2.950 14.138 ( -1.267 0.000 -5.087) 5.242 14.346 ( -1.845 0.000 4.969) 5.300 14.709 ( -4.411 0.000 -3.859) 5.861 14.997 ( -4.229 0.000 -7.748) 8.827 15.517 ( -13.078 0.000 4.682) 13.891 16.141 ( -7.261 0.000 2.742) 7.761 16.350 ( -1.480 0.000 2.290) 2.727 19.257 ( -1.871 0.000 -0.383) 1.910 19.636 ( -6.505 0.000 5.318) 8.402 24.690 ( -2.164 0.000 0.336) 2.190 24.849 ( -6.120 0.000 0.409) 6.134 25.447 ( -1.209 0.000 3.864) 4.049 25.761 ( -1.020 0.000 -1.275) 1.633 26.213 ( 8.869 0.000 -0.821) 8.907 26.584 ( 10.011 0.000 3.406) 10.574 27.085 ( 5.356 0.000 -0.562) 5.386 27.136 ( 8.635 0.000 -5.980) 10.503 28.531 ( -1.878 0.000 -1.585) 2.457 28.935 ( 0.992 0.000 0.279) 1.030 29.170 ( 0.122 0.000 -0.603) 0.615 30.103 ( 0.981 0.000 -9.201) 9.253 31.396 ( -2.920 0.000 6.626) 7.241 31.815 ( -10.263 0.000 -0.140) 10.264 ======================= Grid point 107 (51/108) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 9.028 0.000 16.180) 18.528 1.674 ( 9.417 0.000 17.640) 19.997 2.055 ( 0.062 0.000 -2.994) 2.994 2.104 ( 6.236 0.000 1.488) 6.411 2.390 ( 7.601 0.000 -2.483) 7.996 2.441 ( 1.773 0.000 -3.980) 4.357 2.571 ( 7.333 0.000 4.650) 8.683 2.602 ( 10.057 0.000 -0.332) 10.062 2.685 ( 10.662 0.000 -5.218) 11.870 2.837 ( 1.776 0.000 1.600) 2.391 2.860 ( 2.312 0.000 2.337) 3.288 3.016 ( 2.585 0.000 7.135) 7.589 3.134 ( -2.817 0.000 -1.515) 3.199 3.248 ( 3.509 0.000 3.300) 4.817 3.423 ( 5.520 0.000 -2.254) 5.962 3.478 ( -0.009 0.000 -1.043) 1.043 3.642 ( 0.488 0.000 2.246) 2.298 3.706 ( 5.960 0.000 4.538) 7.491 3.803 ( -2.513 0.000 4.130) 4.834 3.965 ( -1.894 0.000 1.342) 2.321 4.033 ( 2.331 0.000 -0.352) 2.357 4.162 ( -1.273 0.000 -6.540) 6.663 4.203 ( -1.434 0.000 0.393) 1.487 4.331 ( -1.816 0.000 1.465) 2.333 4.479 ( -8.269 0.000 -1.952) 8.496 4.661 ( -6.208 0.000 -3.949) 7.358 4.673 ( 5.195 0.000 -1.543) 5.420 4.731 ( -3.202 0.000 -3.433) 4.695 4.879 ( -3.857 0.000 0.059) 3.857 4.969 ( -6.511 0.000 -1.428) 6.666 4.988 ( -3.498 0.000 2.564) 4.337 5.169 ( 0.578 0.000 3.693) 3.738 5.213 ( -4.616 0.000 0.147) 4.619 5.326 ( -2.406 0.000 0.011) 2.406 5.410 ( 2.616 0.000 2.377) 3.535 5.473 ( 1.120 0.000 3.798) 3.960 5.561 ( -4.534 0.000 5.389) 7.042 5.711 ( 0.210 0.000 2.355) 2.365 5.924 ( 11.146 0.000 -0.380) 11.153 6.004 ( 4.844 0.000 3.301) 5.861 6.343 ( 0.072 0.000 -0.845) 0.848 6.435 ( 2.645 0.000 1.082) 2.858 6.715 ( 2.774 0.000 -0.230) 2.784 6.776 ( -1.592 0.000 -4.218) 4.508 6.861 ( -1.431 0.000 -7.991) 8.118 6.932 ( 1.353 0.000 -7.650) 7.769 7.018 ( -3.423 0.000 3.136) 4.642 7.129 ( 9.239 0.000 -0.341) 9.246 7.341 ( 3.555 0.000 -2.027) 4.092 7.623 ( -1.862 0.000 -1.117) 2.171 7.941 ( 1.297 0.000 -3.219) 3.471 8.063 ( 3.621 0.000 -2.332) 4.307 8.239 ( -5.347 0.000 -2.003) 5.710 8.730 ( -3.025 0.000 1.242) 3.270 9.134 ( 3.138 0.000 1.151) 3.342 9.428 ( 1.603 0.000 -0.179) 1.613 9.902 ( -5.154 0.000 -0.888) 5.230 10.089 ( -5.994 0.000 2.238) 6.398 10.636 ( 8.524 0.000 -2.751) 8.957 10.722 ( 4.675 0.000 -1.925) 5.056 11.918 ( 4.782 0.000 6.445) 8.025 12.050 ( 14.217 0.000 5.807) 15.357 12.256 ( -4.024 0.000 -0.143) 4.026 12.531 ( 1.040 0.000 -1.141) 1.544 13.090 ( 5.374 0.000 -3.861) 6.617 13.211 ( 2.249 0.000 -1.137) 2.520 13.760 ( -3.109 0.000 0.572) 3.161 14.056 ( -3.773 0.000 -2.665) 4.619 14.342 ( -1.805 0.000 3.292) 3.754 14.613 ( -4.635 0.000 -1.132) 4.771 14.853 ( -6.101 0.000 -5.311) 8.089 15.314 ( -12.979 0.000 8.310) 15.412 16.001 ( -8.687 0.000 1.069) 8.753 16.287 ( -5.996 0.000 1.749) 6.246 19.217 ( -1.966 0.000 -0.303) 1.990 19.534 ( -6.826 0.000 3.488) 7.666 24.638 ( -3.076 0.000 -0.315) 3.092 24.743 ( -5.451 0.000 0.654) 5.490 25.463 ( -0.304 0.000 4.551) 4.561 25.740 ( -1.202 0.000 0.461) 1.287 26.388 ( 10.408 0.000 -3.375) 10.941 26.779 ( 8.336 0.000 -2.224) 8.628 27.220 ( 8.556 0.000 -0.367) 8.564 27.275 ( 10.158 0.000 -1.568) 10.279 28.502 ( -0.766 0.000 0.838) 1.135 28.984 ( 2.716 0.000 2.034) 3.393 29.162 ( 0.829 0.000 -2.351) 2.493 30.018 ( -3.248 0.000 -8.496) 9.096 31.356 ( -4.751 0.000 4.220) 6.354 31.611 ( -11.372 0.000 1.722) 11.502 ======================= Grid point 108 (52/108) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 7.095 0.000 6.874) 9.879 1.971 ( 10.459 0.000 9.472) 14.110 2.065 ( 4.050 0.000 -2.144) 4.582 2.236 ( 5.996 0.000 2.779) 6.609 2.403 ( 1.873 0.000 -6.510) 6.774 2.494 ( 0.153 0.000 -1.362) 1.370 2.645 ( 1.602 0.000 -1.733) 2.360 2.740 ( 3.964 0.000 0.981) 4.084 2.852 ( 8.579 0.000 0.226) 8.582 2.929 ( 6.949 0.000 -2.087) 7.255 2.972 ( 4.342 0.000 5.380) 6.913 3.060 ( 0.954 0.000 -1.517) 1.792 3.122 ( 3.163 0.000 1.948) 3.715 3.297 ( 0.602 0.000 -1.118) 1.270 3.463 ( 2.658 0.000 -4.406) 5.146 3.466 ( -1.562 0.000 -0.042) 1.562 3.637 ( -2.261 0.000 0.802) 2.399 3.779 ( -1.060 0.000 2.906) 3.093 3.799 ( 0.108 0.000 5.634) 5.635 3.971 ( -1.038 0.000 0.401) 1.112 4.093 ( 1.404 0.000 2.167) 2.582 4.117 ( 2.315 0.000 -3.397) 4.111 4.198 ( -2.237 0.000 -0.065) 2.238 4.335 ( 1.040 0.000 -1.805) 2.083 4.379 ( -1.945 0.000 4.744) 5.127 4.474 ( -10.654 0.000 -0.840) 10.687 4.644 ( -3.136 0.000 -5.807) 6.600 4.758 ( 3.637 0.000 -0.642) 3.694 4.813 ( -5.892 0.000 1.081) 5.991 4.833 ( -4.090 0.000 0.501) 4.121 4.920 ( -3.798 0.000 -2.177) 4.378 5.078 ( -4.349 0.000 1.057) 4.476 5.198 ( -1.156 0.000 -1.838) 2.171 5.337 ( 0.742 0.000 5.840) 5.887 5.454 ( -7.004 0.000 4.506) 8.328 5.522 ( 1.819 0.000 3.533) 3.974 5.533 ( 3.832 0.000 2.042) 4.342 5.732 ( 3.001 0.000 -2.146) 3.689 6.017 ( 0.551 0.000 0.882) 1.040 6.120 ( 2.080 0.000 0.664) 2.183 6.396 ( 8.168 0.000 -0.538) 8.186 6.528 ( 1.785 0.000 -1.671) 2.445 6.660 ( -0.863 0.000 -2.421) 2.570 6.731 ( -4.255 0.000 -5.511) 6.962 6.764 ( 1.958 0.000 0.354) 1.990 6.946 ( -0.070 0.000 3.937) 3.937 7.051 ( 2.889 0.000 2.259) 3.667 7.237 ( 3.715 0.000 -1.284) 3.930 7.437 ( 6.162 0.000 -2.855) 6.791 7.580 ( -2.345 0.000 -0.688) 2.443 7.952 ( 2.153 0.000 -3.840) 4.403 8.118 ( 2.508 0.000 -3.210) 4.074 8.162 ( -0.651 0.000 0.861) 1.079 8.658 ( -4.852 0.000 0.881) 4.931 9.244 ( 6.367 0.000 3.505) 7.268 9.484 ( 3.717 0.000 0.870) 3.818 9.814 ( -3.350 0.000 -1.222) 3.566 9.961 ( -7.692 0.000 -0.027) 7.692 10.760 ( 5.435 0.000 -1.815) 5.730 10.790 ( 4.584 0.000 -3.381) 5.696 11.976 ( -2.549 0.000 0.497) 2.597 12.196 ( -0.978 0.000 5.305) 5.395 12.398 ( 15.689 0.000 3.573) 16.091 12.563 ( 2.971 0.000 0.578) 3.027 13.156 ( 5.372 0.000 -7.481) 9.210 13.250 ( 3.556 0.000 -2.877) 4.574 13.707 ( -2.473 0.000 0.596) 2.543 14.000 ( -1.077 0.000 0.990) 1.463 14.309 ( -3.069 0.000 0.579) 3.123 14.510 ( -6.421 0.000 1.003) 6.499 14.725 ( -4.251 0.000 -2.147) 4.763 15.127 ( -12.454 0.000 7.695) 14.640 15.836 ( -8.596 0.000 -1.401) 8.710 16.167 ( -7.146 0.000 0.593) 7.171 19.186 ( -0.931 0.000 -0.404) 1.014 19.440 ( -4.931 0.000 2.426) 5.496 24.581 ( -2.495 0.000 -0.796) 2.619 24.655 ( -4.125 0.000 0.122) 4.127 25.485 ( -0.699 0.000 5.119) 5.167 25.721 ( -1.510 0.000 1.852) 2.390 26.530 ( 7.911 0.000 -7.498) 10.900 26.836 ( 2.210 0.000 -9.748) 9.995 27.389 ( 9.484 0.000 1.985) 9.690 27.511 ( 11.106 0.000 7.997) 13.685 28.515 ( 0.672 0.000 3.301) 3.368 29.020 ( -0.113 0.000 0.140) 0.180 29.204 ( 4.800 0.000 -0.787) 4.864 29.896 ( -3.928 0.000 -7.570) 8.529 31.283 ( -4.807 0.000 1.892) 5.166 31.422 ( -9.544 0.000 1.023) 9.599 ======================= Grid point 109 (53/108) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 4.295 0.000 -1.600) 4.583 2.123 ( 1.796 0.000 2.643) 3.196 2.177 ( 4.953 0.000 1.676) 5.228 2.363 ( 4.905 0.000 1.805) 5.227 2.402 ( -1.426 0.000 0.832) 1.652 2.453 ( 2.933 0.000 -1.438) 3.267 2.698 ( 2.993 0.000 -4.769) 5.630 2.784 ( 1.387 0.000 0.731) 1.568 2.919 ( -2.351 0.000 -2.274) 3.271 2.953 ( 1.718 0.000 -0.027) 1.718 3.081 ( 3.371 0.000 -0.777) 3.459 3.159 ( 5.089 0.000 3.805) 6.354 3.209 ( 2.552 0.000 -0.878) 2.699 3.284 ( 4.005 0.000 -2.358) 4.648 3.420 ( -3.125 0.000 -0.559) 3.175 3.470 ( -1.836 0.000 1.202) 2.194 3.602 ( 0.864 0.000 -1.074) 1.379 3.756 ( -2.785 0.000 1.365) 3.102 3.850 ( -0.186 0.000 4.876) 4.879 3.930 ( -1.863 0.000 -2.722) 3.298 4.077 ( -0.512 0.000 -0.337) 0.613 4.122 ( -2.893 0.000 -0.648) 2.964 4.190 ( 1.826 0.000 -0.763) 1.979 4.271 ( -7.885 0.000 -3.328) 8.558 4.341 ( -2.725 0.000 -1.358) 3.045 4.365 ( -0.252 0.000 -1.400) 1.422 4.548 ( -4.574 0.000 3.861) 5.986 4.673 ( -6.434 0.000 -1.598) 6.630 4.795 ( 2.493 0.000 -1.899) 3.135 4.819 ( 0.259 0.000 1.645) 1.665 4.898 ( 1.016 0.000 0.140) 1.026 5.043 ( -1.655 0.000 0.280) 1.678 5.167 ( -0.364 0.000 -1.026) 1.089 5.319 ( -7.757 0.000 4.740) 9.090 5.381 ( -1.966 0.000 6.723) 7.005 5.517 ( -3.044 0.000 2.509) 3.945 5.662 ( 7.543 0.000 -0.053) 7.543 5.797 ( 4.430 0.000 -4.008) 5.974 6.021 ( -0.933 0.000 0.714) 1.175 6.086 ( -2.688 0.000 -1.552) 3.104 6.485 ( 0.225 0.000 0.658) 0.695 6.568 ( 2.497 0.000 -0.831) 2.632 6.614 ( -0.401 0.000 -1.666) 1.714 6.715 ( 2.423 0.000 -0.258) 2.436 6.879 ( 8.347 0.000 1.796) 8.538 6.980 ( 1.448 0.000 5.309) 5.503 7.143 ( 4.002 0.000 5.288) 6.631 7.250 ( -2.731 0.000 0.102) 2.733 7.473 ( 0.804 0.000 -3.540) 3.630 7.562 ( 1.922 0.000 -2.928) 3.502 7.961 ( 1.133 0.000 -3.607) 3.781 8.134 ( 2.225 0.000 -1.144) 2.502 8.199 ( 2.408 0.000 -0.993) 2.605 8.578 ( -3.920 0.000 1.003) 4.046 9.392 ( 5.766 0.000 5.288) 7.824 9.555 ( 2.529 0.000 1.247) 2.820 9.769 ( -0.451 0.000 -1.401) 1.472 9.822 ( -6.266 0.000 -1.398) 6.420 10.793 ( 1.674 0.000 -6.138) 6.362 10.863 ( 3.039 0.000 0.884) 3.165 11.868 ( -6.200 0.000 -4.281) 7.534 12.204 ( -2.183 0.000 4.959) 5.418 12.622 ( 3.480 0.000 1.020) 3.626 12.692 ( 9.486 0.000 6.703) 11.615 13.192 ( 4.226 0.000 -9.852) 10.720 13.324 ( 6.376 0.000 -2.812) 6.968 13.692 ( 0.245 0.000 1.991) 2.006 14.018 ( 1.090 0.000 2.531) 2.756 14.242 ( -3.735 0.000 -0.475) 3.765 14.388 ( -7.292 0.000 2.127) 7.596 14.688 ( 1.023 0.000 0.826) 1.315 14.957 ( -8.820 0.000 3.958) 9.667 15.669 ( -7.412 0.000 -3.355) 8.136 16.043 ( -5.896 0.000 0.142) 5.897 19.180 ( 0.576 0.000 -0.622) 0.848 19.384 ( -2.648 0.000 2.411) 3.581 24.540 ( -1.197 0.000 -0.988) 1.552 24.590 ( -2.637 0.000 -0.330) 2.658 25.502 ( -1.028 0.000 5.410) 5.507 25.714 ( -0.575 0.000 2.643) 2.705 26.582 ( 3.674 0.000 -10.091) 10.739 26.767 ( -1.592 0.000 -11.866) 11.972 27.600 ( 9.719 0.000 6.046) 11.446 27.737 ( 6.088 0.000 9.585) 11.355 28.565 ( 1.571 0.000 5.194) 5.427 29.002 ( -0.585 0.000 -2.201) 2.278 29.295 ( 3.651 0.000 1.196) 3.842 29.790 ( -1.877 0.000 -7.470) 7.702 31.211 ( -3.379 0.000 0.505) 3.417 31.272 ( -6.701 0.000 0.065) 6.702 ======================= Grid point 110 (54/108) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 3.447 0.000 -1.947) 3.959 2.045 ( -7.346 0.000 -0.256) 7.350 2.245 ( -2.187 0.000 2.962) 3.682 2.399 ( -1.006 0.000 0.577) 1.160 2.440 ( 4.307 0.000 1.736) 4.644 2.528 ( 1.235 0.000 0.968) 1.569 2.668 ( -4.316 0.000 -7.804) 8.918 2.742 ( -2.185 0.000 1.094) 2.444 2.919 ( 0.338 0.000 1.398) 1.439 2.975 ( 0.766 0.000 1.451) 1.641 3.090 ( -0.196 0.000 -1.419) 1.433 3.107 ( -4.016 0.000 -4.073) 5.720 3.256 ( -5.935 0.000 -0.420) 5.950 3.344 ( 2.194 0.000 -2.679) 3.462 3.426 ( 6.949 0.000 -0.163) 6.951 3.441 ( -1.222 0.000 2.369) 2.665 3.629 ( 1.246 0.000 -4.530) 4.698 3.709 ( -2.592 0.000 5.546) 6.122 3.849 ( -2.615 0.000 4.446) 5.158 3.900 ( 1.518 0.000 -4.444) 4.696 4.052 ( -2.015 0.000 -4.373) 4.815 4.069 ( -0.390 0.000 -1.790) 1.832 4.126 ( -2.236 0.000 -5.715) 6.137 4.221 ( 0.209 0.000 -1.560) 1.574 4.308 ( 2.964 0.000 2.039) 3.598 4.364 ( -0.267 0.000 2.250) 2.266 4.520 ( -3.088 0.000 7.700) 8.297 4.595 ( -1.471 0.000 -1.853) 2.366 4.797 ( -1.484 0.000 -1.030) 1.806 4.874 ( 3.180 0.000 2.726) 4.188 4.909 ( 1.982 0.000 -7.025) 7.299 5.019 ( -0.845 0.000 6.485) 6.540 5.177 ( 1.100 0.000 -0.145) 1.109 5.245 ( -2.976 0.000 7.313) 7.895 5.360 ( -3.985 0.000 3.974) 5.628 5.476 ( -2.734 0.000 2.512) 3.713 5.750 ( 1.282 0.000 -0.592) 1.413 5.819 ( -0.714 0.000 -5.065) 5.115 5.981 ( -0.746 0.000 -1.225) 1.434 6.084 ( 2.563 0.000 -0.833) 2.695 6.451 ( -3.008 0.000 -1.233) 3.251 6.576 ( -1.760 0.000 3.076) 3.544 6.625 ( 1.633 0.000 0.680) 1.769 6.787 ( 2.465 0.000 1.918) 3.123 7.018 ( 3.516 0.000 3.159) 4.727 7.075 ( 5.034 0.000 0.915) 5.117 7.169 ( -2.905 0.000 1.035) 3.084 7.208 ( -0.871 0.000 1.849) 2.044 7.511 ( 4.708 0.000 -3.277) 5.737 7.584 ( 3.167 0.000 -1.792) 3.639 7.956 ( 0.986 0.000 -2.992) 3.150 8.172 ( 2.127 0.000 -1.816) 2.797 8.222 ( 1.151 0.000 -2.330) 2.599 8.534 ( -1.766 0.000 2.294) 2.895 9.508 ( 2.558 0.000 6.228) 6.733 9.585 ( -0.493 0.000 2.770) 2.813 9.716 ( -3.349 0.000 -2.751) 4.334 9.770 ( 1.451 0.000 -2.980) 3.314 10.760 ( -1.129 0.000 -5.596) 5.709 10.896 ( -0.338 0.000 0.663) 0.744 11.723 ( -5.731 0.000 -3.726) 6.836 12.178 ( -3.651 0.000 4.566) 5.846 12.656 ( -1.039 0.000 3.336) 3.494 12.846 ( 2.860 0.000 4.376) 5.228 13.195 ( 2.943 0.000 -10.364) 10.773 13.408 ( 2.049 0.000 -2.061) 2.906 13.735 ( 2.627 0.000 1.207) 2.891 14.059 ( 1.807 0.000 2.126) 2.790 14.182 ( -2.244 0.000 1.538) 2.720 14.286 ( -4.560 0.000 3.579) 5.797 14.774 ( 7.029 0.000 1.569) 7.202 14.877 ( -0.569 0.000 -0.058) 0.572 15.526 ( -4.961 0.000 -3.701) 6.189 15.960 ( -2.884 0.000 0.703) 2.969 19.197 ( 1.751 0.000 -1.133) 2.086 19.368 ( -0.919 0.000 2.732) 2.882 24.523 ( 0.039 0.000 -1.049) 1.050 24.556 ( -0.604 0.000 -0.332) 0.689 25.517 ( -0.970 0.000 5.548) 5.632 25.737 ( 1.302 0.000 2.964) 3.237 26.550 ( -0.329 0.000 -9.277) 9.282 26.642 ( -3.621 0.000 -11.199) 11.770 27.794 ( 3.152 0.000 7.015) 7.690 27.856 ( 3.762 0.000 6.958) 7.910 28.636 ( 2.043 0.000 6.283) 6.607 28.975 ( -0.697 0.000 -3.052) 3.131 29.330 ( -1.109 0.000 1.548) 1.904 29.742 ( 2.026 0.000 -7.988) 8.241 31.170 ( -1.927 0.000 0.679) 2.043 31.178 ( -2.479 0.000 -0.206) 2.487 ======================= Grid point 111 (55/108) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -11.394 0.000 1.209) 11.458 2.052 ( 2.033 0.000 0.471) 2.087 2.111 ( -13.760 0.000 0.815) 13.784 2.346 ( -5.930 0.000 0.726) 5.974 2.486 ( -3.710 0.000 3.729) 5.260 2.513 ( -0.820 0.000 -0.652) 1.048 2.532 ( -1.451 0.000 -2.063) 2.522 2.693 ( -5.834 0.000 0.201) 5.837 2.891 ( -1.347 0.000 1.445) 1.975 2.963 ( -7.978 0.000 0.626) 8.003 3.027 ( -1.277 0.000 -1.874) 2.267 3.055 ( -3.641 0.000 -4.784) 6.012 3.159 ( 3.608 0.000 -0.971) 3.736 3.342 ( -2.540 0.000 -1.766) 3.094 3.452 ( 0.771 0.000 1.470) 1.660 3.541 ( 4.164 0.000 -0.795) 4.239 3.607 ( 1.013 0.000 -5.795) 5.882 3.734 ( -0.511 0.000 8.959) 8.974 3.761 ( -9.352 0.000 4.031) 10.184 3.868 ( -1.259 0.000 -6.067) 6.196 4.034 ( 0.513 0.000 -4.189) 4.221 4.073 ( 0.441 0.000 1.028) 1.119 4.124 ( 7.286 0.000 -2.569) 7.725 4.241 ( 1.844 0.000 -1.983) 2.707 4.383 ( 2.709 0.000 5.717) 6.326 4.421 ( 3.132 0.000 4.097) 5.157 4.564 ( 1.510 0.000 1.545) 2.161 4.574 ( 4.290 0.000 -0.198) 4.294 4.766 ( -0.973 0.000 0.089) 0.977 4.864 ( 0.302 0.000 -4.098) 4.109 4.956 ( 2.503 0.000 -0.295) 2.521 5.130 ( 5.791 0.000 7.548) 9.513 5.194 ( 0.680 0.000 3.915) 3.974 5.288 ( 2.584 0.000 0.773) 2.697 5.317 ( -2.086 0.000 3.712) 4.258 5.443 ( -3.079 0.000 5.542) 6.340 5.694 ( -5.817 0.000 -3.029) 6.559 5.747 ( -1.033 0.000 -3.342) 3.498 5.979 ( -0.854 0.000 -0.420) 0.952 6.110 ( -0.196 0.000 -1.687) 1.698 6.392 ( -2.721 0.000 -0.699) 2.809 6.539 ( -1.030 0.000 -0.574) 1.179 6.639 ( -5.816 0.000 3.436) 6.755 6.788 ( -0.577 0.000 2.377) 2.446 7.047 ( -3.653 0.000 -6.848) 7.761 7.106 ( 1.094 0.000 4.792) 4.916 7.185 ( 2.400 0.000 0.800) 2.529 7.253 ( 5.891 0.000 2.177) 6.280 7.497 ( -1.761 0.000 -6.023) 6.275 7.697 ( 5.934 0.000 -1.151) 6.045 7.981 ( 4.112 0.000 -2.945) 5.058 8.173 ( -0.394 0.000 -3.698) 3.719 8.221 ( 0.994 0.000 -2.712) 2.888 8.548 ( 1.306 0.000 4.072) 4.276 9.570 ( -2.593 0.000 3.464) 4.327 9.576 ( -0.379 0.000 6.737) 6.747 9.665 ( -0.082 0.000 -2.798) 2.799 9.772 ( 1.608 0.000 -5.063) 5.312 10.678 ( -4.549 0.000 -3.510) 5.746 10.852 ( -3.980 0.000 -1.595) 4.287 11.641 ( -1.426 0.000 1.316) 1.941 12.129 ( -4.683 0.000 4.822) 6.722 12.625 ( -4.916 0.000 3.650) 6.122 12.868 ( -2.380 0.000 2.743) 3.631 13.167 ( 0.895 0.000 -9.621) 9.662 13.332 ( -7.523 0.000 -4.268) 8.649 13.762 ( -0.555 0.000 -0.558) 0.787 14.071 ( -2.436 0.000 2.209) 3.289 14.249 ( 7.008 0.000 2.328) 7.385 14.296 ( 3.312 0.000 7.803) 8.477 14.925 ( 6.988 0.000 -5.230) 8.728 14.951 ( 9.920 0.000 0.506) 9.933 15.455 ( -0.634 0.000 -0.645) 0.905 15.954 ( 1.205 0.000 2.804) 3.052 19.225 ( 2.116 0.000 -2.051) 2.947 19.381 ( 0.369 0.000 3.028) 3.050 24.525 ( 0.973 0.000 -0.900) 1.325 24.569 ( 2.031 0.000 0.027) 2.031 25.536 ( -0.861 0.000 5.693) 5.758 25.803 ( 3.730 0.000 2.721) 4.617 26.458 ( -4.341 0.000 -5.743) 7.199 26.498 ( -4.223 0.000 -9.817) 10.687 27.750 ( -8.241 0.000 2.701) 8.672 28.015 ( 6.162 0.000 5.322) 8.143 28.709 ( 1.410 0.000 5.003) 5.198 28.930 ( -2.030 0.000 -3.261) 3.841 29.285 ( -4.166 0.000 1.914) 4.584 29.750 ( 4.129 0.000 -9.143) 10.032 31.140 ( -0.631 0.000 1.176) 1.335 31.194 ( 2.475 0.000 2.003) 3.183 ======================= Grid point 112 (56/108) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -16.493 0.000 6.702) 17.802 1.772 ( -22.242 0.000 4.309) 22.656 2.063 ( -0.950 0.000 0.106) 0.956 2.174 ( -10.523 0.000 -0.082) 10.523 2.454 ( -3.577 0.000 2.584) 4.413 2.485 ( -1.898 0.000 1.478) 2.406 2.527 ( -1.160 0.000 6.240) 6.347 2.619 ( -1.618 0.000 0.040) 1.618 2.771 ( -10.215 0.000 -2.257) 10.461 2.857 ( -4.936 0.000 2.622) 5.589 2.960 ( -4.870 0.000 1.395) 5.066 3.015 ( -0.634 0.000 -1.655) 1.772 3.137 ( -7.420 0.000 -1.685) 7.609 3.290 ( -1.382 0.000 0.013) 1.382 3.459 ( 0.260 0.000 -1.962) 1.979 3.521 ( -11.207 0.000 0.762) 11.233 3.582 ( -0.111 0.000 -5.728) 5.729 3.645 ( 6.749 0.000 1.591) 6.934 3.814 ( 2.896 0.000 7.297) 7.851 3.890 ( 4.376 0.000 0.967) 4.482 4.039 ( 1.741 0.000 -1.577) 2.349 4.110 ( 2.527 0.000 0.240) 2.538 4.211 ( -3.263 0.000 0.648) 3.326 4.255 ( 4.273 0.000 -2.258) 4.833 4.408 ( 0.055 0.000 3.453) 3.453 4.547 ( 6.566 0.000 1.820) 6.813 4.618 ( 1.448 0.000 -0.029) 1.448 4.710 ( 9.376 0.000 -3.088) 9.872 4.814 ( 6.019 0.000 5.067) 7.868 4.868 ( 2.573 0.000 -4.331) 5.038 4.975 ( 0.462 0.000 -2.482) 2.525 5.181 ( -2.031 0.000 0.117) 2.035 5.262 ( 1.439 0.000 2.357) 2.762 5.338 ( 1.971 0.000 3.462) 3.984 5.403 ( 8.686 0.000 5.308) 10.179 5.430 ( -3.235 0.000 2.553) 4.121 5.598 ( -1.468 0.000 -0.110) 1.472 5.725 ( 0.769 0.000 -0.697) 1.038 5.925 ( -5.051 0.000 2.471) 5.623 6.067 ( -2.759 0.000 1.283) 3.043 6.333 ( -3.412 0.000 -1.115) 3.590 6.450 ( -7.537 0.000 -0.337) 7.545 6.592 ( 0.542 0.000 0.203) 0.578 6.778 ( -3.979 0.000 3.196) 5.104 6.878 ( -6.252 0.000 -8.340) 10.423 7.131 ( -0.633 0.000 0.638) 0.899 7.260 ( 0.477 0.000 -0.518) 0.705 7.368 ( 3.616 0.000 -0.624) 3.669 7.437 ( 3.026 0.000 -1.429) 3.346 7.729 ( 0.513 0.000 -6.577) 6.597 8.012 ( 0.341 0.000 -8.277) 8.284 8.115 ( -2.250 0.000 -4.362) 4.908 8.268 ( 5.664 0.000 -0.902) 5.736 8.636 ( 5.038 0.000 4.635) 6.846 9.509 ( -4.171 0.000 -0.603) 4.214 9.583 ( -2.768 0.000 1.941) 3.380 9.681 ( 1.433 0.000 1.425) 2.021 9.791 ( 3.638 0.000 -1.088) 3.797 10.554 ( -6.224 0.000 -1.837) 6.489 10.746 ( -5.353 0.000 -1.658) 5.604 11.691 ( 3.568 0.000 6.545) 7.454 12.069 ( -5.026 0.000 5.665) 7.573 12.508 ( -9.363 0.000 1.997) 9.573 12.803 ( -6.443 0.000 1.500) 6.615 13.098 ( -5.469 0.000 -9.585) 11.036 13.135 ( -4.786 0.000 -4.199) 6.367 13.731 ( -1.709 0.000 -0.133) 1.715 14.045 ( -1.552 0.000 3.143) 3.505 14.339 ( 2.622 0.000 2.389) 3.547 14.542 ( 13.475 0.000 8.849) 16.121 15.019 ( 7.931 0.000 -11.224) 13.744 15.147 ( 10.750 0.000 0.272) 10.754 15.508 ( 4.547 0.000 4.921) 6.700 16.042 ( 5.272 0.000 5.195) 7.401 19.247 ( 1.801 0.000 -2.748) 3.286 19.421 ( 1.678 0.000 3.481) 3.864 24.552 ( 2.392 0.000 -0.479) 2.439 24.630 ( 4.197 0.000 0.574) 4.236 25.555 ( -1.180 0.000 5.876) 5.993 25.908 ( 5.897 0.000 0.762) 5.946 26.319 ( -6.458 0.000 -4.741) 8.011 26.370 ( -4.696 0.000 -3.456) 5.831 27.558 ( -12.382 0.000 -0.334) 12.386 28.104 ( 0.972 0.000 -3.336) 3.475 28.740 ( -0.170 0.000 1.432) 1.442 28.868 ( -2.556 0.000 -0.860) 2.697 29.214 ( -4.900 0.000 2.657) 5.574 29.769 ( 4.175 0.000 -9.258) 10.156 31.162 ( 1.437 0.000 3.112) 3.428 31.300 ( 6.682 0.000 4.963) 8.323 ======================= Grid point 113 (57/108) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -19.630 0.000 14.675) 24.509 1.395 ( -22.280 0.000 13.640) 26.123 2.008 ( -8.733 0.000 6.446) 10.854 2.036 ( -1.155 0.000 -1.416) 1.827 2.345 ( -17.689 0.000 16.393) 24.117 2.421 ( -10.040 0.000 7.459) 12.507 2.503 ( -2.452 0.000 2.486) 3.492 2.557 ( -7.972 0.000 -2.923) 8.491 2.613 ( 0.970 0.000 -0.006) 0.970 2.782 ( -4.541 0.000 3.767) 5.900 2.883 ( -4.519 0.000 0.647) 4.565 2.917 ( -4.903 0.000 -6.176) 7.886 3.078 ( 2.737 0.000 -0.604) 2.803 3.227 ( -3.773 0.000 -1.471) 4.050 3.367 ( -2.759 0.000 -4.910) 5.633 3.497 ( 1.130 0.000 0.228) 1.153 3.530 ( -1.240 0.000 -3.443) 3.659 3.805 ( 7.856 0.000 1.956) 8.095 3.915 ( -0.525 0.000 4.729) 4.758 3.997 ( 5.968 0.000 1.570) 6.171 4.072 ( -1.952 0.000 3.578) 4.076 4.115 ( 1.750 0.000 -0.062) 1.751 4.161 ( 3.237 0.000 -0.893) 3.358 4.325 ( 3.431 0.000 -3.652) 5.011 4.453 ( 0.959 0.000 3.295) 3.432 4.601 ( 1.114 0.000 -2.171) 2.440 4.673 ( 3.714 0.000 4.157) 5.575 4.821 ( 2.727 0.000 -7.394) 7.880 4.897 ( 2.774 0.000 -2.574) 3.784 4.964 ( 6.141 0.000 -3.575) 7.106 5.017 ( 6.503 0.000 5.685) 8.638 5.113 ( -2.906 0.000 -2.906) 4.110 5.269 ( -1.599 0.000 -4.035) 4.340 5.333 ( -5.318 0.000 0.563) 5.348 5.400 ( 2.464 0.000 1.129) 2.711 5.568 ( 3.253 0.000 4.774) 5.777 5.663 ( 5.014 0.000 6.309) 8.059 5.793 ( 5.950 0.000 0.288) 5.957 5.854 ( -4.150 0.000 5.323) 6.750 6.043 ( -3.982 0.000 5.166) 6.523 6.249 ( -1.931 0.000 -2.212) 2.936 6.339 ( -4.534 0.000 1.688) 4.838 6.575 ( -3.307 0.000 -0.335) 3.323 6.677 ( -5.585 0.000 -1.437) 5.767 6.763 ( -2.576 0.000 -4.664) 5.328 7.072 ( -7.862 0.000 -1.127) 7.943 7.162 ( -2.656 0.000 -2.398) 3.579 7.434 ( 1.866 0.000 -4.717) 5.073 7.517 ( 1.277 0.000 -7.818) 7.921 7.661 ( 1.531 0.000 -6.297) 6.481 7.923 ( -2.050 0.000 -5.413) 5.788 8.057 ( -1.723 0.000 -2.719) 3.219 8.365 ( 4.852 0.000 -2.901) 5.653 8.784 ( 7.494 0.000 2.034) 7.765 9.407 ( -4.450 0.000 -5.243) 6.877 9.512 ( -4.505 0.000 -2.001) 4.929 9.723 ( 2.507 0.000 3.555) 4.350 9.905 ( 5.954 0.000 5.898) 8.381 10.440 ( -4.700 0.000 -0.903) 4.786 10.655 ( -3.532 0.000 -0.032) 3.532 11.821 ( 4.102 0.000 8.005) 8.995 12.017 ( -5.597 0.000 7.399) 9.278 12.337 ( -6.972 0.000 -0.542) 6.993 12.603 ( -14.202 0.000 -1.948) 14.335 12.945 ( -2.669 0.000 -4.237) 5.008 13.090 ( -0.175 0.000 -2.047) 2.054 13.715 ( -0.101 0.000 1.329) 1.333 14.059 ( 0.886 0.000 2.744) 2.883 14.380 ( -0.008 0.000 2.499) 2.499 14.843 ( 13.005 0.000 0.583) 13.018 15.070 ( 5.903 0.000 -12.822) 14.116 15.398 ( 14.586 0.000 9.750) 17.545 15.652 ( 5.580 0.000 7.249) 9.148 16.195 ( 6.996 0.000 3.716) 7.922 19.260 ( 1.371 0.000 -2.155) 2.554 19.491 ( 3.162 0.000 4.760) 5.715 24.606 ( 3.352 0.000 0.032) 3.352 24.734 ( 6.391 0.000 1.160) 6.495 25.561 ( -2.324 0.000 5.678) 6.135 25.995 ( 3.235 0.000 -5.368) 6.267 26.171 ( -5.671 0.000 -4.614) 7.311 26.311 ( -1.302 0.000 6.745) 6.869 27.310 ( -12.414 0.000 -1.696) 12.529 27.920 ( -14.564 0.000 -19.707) 24.505 28.732 ( -1.109 0.000 -2.506) 2.740 28.867 ( 2.443 0.000 6.293) 6.750 29.133 ( -5.103 0.000 1.529) 5.328 29.803 ( 4.809 0.000 -4.509) 6.592 31.227 ( 2.365 0.000 5.454) 5.945 31.511 ( 11.754 0.000 6.975) 13.667 ======================= Grid point 114 (58/108) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -15.332 0.000 23.229) 27.833 1.153 ( -14.107 0.000 24.748) 28.487 1.881 ( -16.059 0.000 25.253) 29.927 2.027 ( 0.632 0.000 5.768) 5.802 2.178 ( -4.409 0.000 10.984) 11.836 2.274 ( -11.655 0.000 10.582) 15.742 2.352 ( -7.787 0.000 -9.064) 11.949 2.511 ( -0.032 0.000 2.190) 2.190 2.617 ( -4.223 0.000 0.242) 4.230 2.711 ( -2.575 0.000 3.075) 4.011 2.809 ( -1.494 0.000 -5.385) 5.589 2.841 ( 0.141 0.000 -4.780) 4.782 3.145 ( -2.029 0.000 -1.796) 2.710 3.159 ( 3.164 0.000 -0.517) 3.206 3.320 ( -0.182 0.000 -1.798) 1.808 3.457 ( -1.762 0.000 -3.416) 3.843 3.530 ( 0.429 0.000 -1.657) 1.712 3.867 ( -3.688 0.000 -1.168) 3.868 3.931 ( 3.339 0.000 2.397) 4.110 4.024 ( -2.076 0.000 3.017) 3.663 4.126 ( 6.155 0.000 1.075) 6.248 4.166 ( -1.745 0.000 2.177) 2.790 4.284 ( 5.905 0.000 0.118) 5.907 4.339 ( 4.402 0.000 -6.208) 7.610 4.480 ( 0.869 0.000 1.037) 1.353 4.639 ( 4.840 0.000 -1.351) 5.025 4.738 ( -0.187 0.000 -3.288) 3.293 4.787 ( 1.058 0.000 0.140) 1.067 4.954 ( 5.279 0.000 -3.881) 6.552 5.008 ( -3.379 0.000 3.993) 5.230 5.092 ( 4.878 0.000 -3.689) 6.116 5.131 ( -0.672 0.000 -1.675) 1.805 5.214 ( 2.709 0.000 -2.985) 4.031 5.299 ( -0.020 0.000 4.001) 4.001 5.444 ( 1.352 0.000 -0.416) 1.415 5.585 ( -2.784 0.000 4.176) 5.019 5.741 ( -5.470 0.000 -0.780) 5.525 5.786 ( -6.108 0.000 3.564) 7.072 5.862 ( -0.907 0.000 1.389) 1.658 6.011 ( 4.466 0.000 -2.079) 4.926 6.261 ( 0.411 0.000 3.405) 3.429 6.352 ( 3.523 0.000 3.532) 4.989 6.469 ( -5.699 0.000 3.509) 6.692 6.581 ( -9.311 0.000 -2.121) 9.549 6.650 ( -2.414 0.000 -2.909) 3.781 6.900 ( -6.978 0.000 -0.621) 7.006 7.111 ( -1.535 0.000 -5.408) 5.622 7.310 ( -2.002 0.000 -5.094) 5.473 7.474 ( -0.395 0.000 -9.213) 9.221 7.743 ( 4.869 0.000 -1.545) 5.108 7.905 ( 1.877 0.000 -1.071) 2.161 8.013 ( -1.114 0.000 -2.429) 2.672 8.410 ( 2.144 0.000 -3.267) 3.908 8.881 ( 1.723 0.000 -2.980) 3.442 9.307 ( -1.669 0.000 -6.684) 6.889 9.404 ( -4.509 0.000 -1.520) 4.758 9.842 ( 6.496 0.000 6.341) 9.078 10.040 ( 2.842 0.000 5.864) 6.516 10.385 ( 0.613 0.000 -2.381) 2.459 10.604 ( -2.352 0.000 0.918) 2.524 11.881 ( -7.579 0.000 3.536) 8.363 11.902 ( -5.901 0.000 3.656) 6.941 12.315 ( 1.498 0.000 1.907) 2.425 12.383 ( -3.655 0.000 2.558) 4.461 12.920 ( 0.742 0.000 -0.597) 0.952 13.096 ( 1.108 0.000 0.811) 1.373 13.746 ( 1.807 0.000 2.773) 3.310 14.105 ( 2.791 0.000 0.022) 2.791 14.378 ( -1.954 0.000 3.436) 3.953 14.945 ( 2.217 0.000 -13.021) 13.209 15.102 ( 4.746 0.000 -9.124) 10.284 15.742 ( 3.740 0.000 4.209) 5.630 15.866 ( 18.145 0.000 17.103) 24.935 16.310 ( 4.388 0.000 -3.926) 5.888 19.275 ( 1.152 0.000 -0.639) 1.317 19.600 ( 4.117 0.000 6.734) 7.892 24.669 ( 2.803 0.000 0.506) 2.849 24.875 ( 7.288 0.000 -0.082) 7.289 25.533 ( -3.961 0.000 4.177) 5.757 25.944 ( -3.616 0.000 -6.376) 7.330 26.071 ( -1.854 0.000 -2.417) 3.046 26.390 ( 2.372 0.000 6.735) 7.141 27.106 ( -7.401 0.000 -1.445) 7.541 27.364 ( -26.238 0.000 -15.320) 30.383 28.666 ( -2.715 0.000 -4.714) 5.440 28.990 ( 1.859 0.000 3.194) 3.695 29.067 ( 0.265 0.000 1.747) 1.767 29.916 ( 8.845 0.000 -0.611) 8.866 31.310 ( 1.884 0.000 7.376) 7.613 31.800 ( 13.729 0.000 2.341) 13.927 ======================= Grid point 115 (59/108) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -2.888 9.199 19.220) 21.503 1.318 ( -1.107 10.364 24.960) 27.049 1.847 ( -1.105 -14.220 3.333) 14.648 1.911 ( -1.727 -11.504 10.910) 15.948 2.065 ( -3.601 4.728 13.408) 14.666 2.241 ( 3.122 2.880 9.350) 10.269 2.408 ( -0.395 4.341 -0.575) 4.397 2.460 ( -1.019 -2.062 -1.805) 2.924 2.673 ( 2.193 2.203 -4.560) 5.519 2.697 ( -0.358 8.912 4.085) 9.810 2.793 ( -2.263 2.090 2.121) 3.740 2.976 ( 3.104 7.436 3.703) 8.868 3.050 ( 0.530 -1.792 -1.050) 2.144 3.223 ( -2.302 0.901 -1.084) 2.699 3.322 ( -0.276 -1.502 -0.735) 1.695 3.451 ( 1.385 2.435 -0.789) 2.910 3.484 ( 2.032 -3.955 -1.403) 4.662 3.699 ( -2.778 -7.416 0.073) 7.919 3.897 ( -3.177 -0.151 -0.394) 3.205 3.996 ( -1.037 0.097 -1.039) 1.471 4.096 ( -4.137 -3.611 -2.358) 5.976 4.182 ( 1.626 -5.591 -2.196) 6.223 4.298 ( 0.378 1.363 -1.569) 2.113 4.389 ( 6.368 -0.443 -1.512) 6.561 4.575 ( 3.838 1.816 -0.729) 4.308 4.676 ( 0.649 0.664 -2.804) 2.954 4.785 ( 1.755 3.109 -2.281) 4.236 4.853 ( -0.522 3.576 2.112) 4.186 4.932 ( -2.448 -2.002 3.342) 4.601 5.001 ( 0.474 -1.582 -2.685) 3.152 5.116 ( 1.288 2.974 -0.773) 3.332 5.179 ( 0.869 2.741 -1.822) 3.404 5.302 ( 2.183 1.319 -0.965) 2.727 5.313 ( 3.358 -1.224 2.105) 4.148 5.392 ( -7.723 -0.536 -1.514) 7.888 5.511 ( -5.277 -3.896 4.276) 7.831 5.612 ( -0.363 -0.951 1.651) 1.939 5.683 ( -2.279 -3.192 3.802) 5.462 5.768 ( -9.741 2.573 0.778) 10.106 5.932 ( -6.486 -4.304 0.832) 7.828 6.317 ( 2.000 3.579 0.678) 4.156 6.383 ( 3.416 0.525 3.181) 4.697 6.498 ( 7.817 -1.687 2.835) 8.484 6.612 ( 4.718 -4.075 1.148) 6.339 6.686 ( 3.601 5.084 0.828) 6.285 6.834 ( 2.033 -0.954 -0.813) 2.388 7.047 ( -1.743 0.748 -4.779) 5.142 7.199 ( -0.976 -6.447 -3.946) 7.622 7.418 ( -2.220 3.512 -5.796) 7.131 7.632 ( -2.170 -5.801 -1.723) 6.429 8.019 ( -0.057 4.600 -0.677) 4.650 8.193 ( 3.387 6.448 -1.125) 7.370 8.424 ( -0.746 6.821 -7.374) 10.072 8.832 ( -2.322 -1.649 -6.955) 7.515 9.197 ( -3.999 -0.745 -4.406) 5.997 9.300 ( 0.247 -6.460 -1.996) 6.765 10.036 ( 5.687 2.210 5.021) 7.902 10.090 ( 0.818 0.981 3.786) 3.995 10.432 ( 3.190 1.535 -2.422) 4.289 10.560 ( 1.808 -3.366 1.297) 4.035 11.748 ( -4.989 0.968 3.254) 6.035 11.799 ( -5.273 -0.933 2.323) 5.837 12.373 ( 1.203 1.378 2.266) 2.912 12.440 ( 3.304 -1.231 2.199) 4.155 12.970 ( 2.431 1.855 0.533) 3.104 13.092 ( 1.868 -3.265 1.692) 4.124 13.887 ( 1.119 7.105 0.672) 7.224 14.119 ( 2.160 -2.813 -3.346) 4.876 14.436 ( -2.738 6.919 4.288) 8.588 14.776 ( -4.065 -5.864 -5.685) 9.123 15.143 ( -0.372 5.000 -8.567) 9.926 15.573 ( -5.807 -12.448 0.496) 13.745 16.170 ( 2.632 -1.851 8.533) 9.120 16.230 ( 1.384 -4.528 2.816) 5.509 19.350 ( -0.399 5.463 -0.357) 5.489 19.608 ( -1.035 -5.920 5.344) 8.042 24.731 ( 0.286 2.194 0.380) 2.245 24.871 ( -0.708 -4.550 0.298) 4.615 25.599 ( -3.451 8.211 -2.692) 9.305 25.800 ( -4.128 -2.019 -3.562) 5.814 26.157 ( 4.226 6.031 0.637) 7.392 26.397 ( 2.445 -3.622 4.254) 6.098 27.039 ( 0.985 0.145 -1.177) 1.542 27.047 ( -1.155 -0.140 -1.330) 1.767 28.624 ( -3.106 3.073 -3.865) 5.833 28.817 ( -2.677 -6.770 -0.842) 7.329 29.407 ( 2.722 17.247 -2.807) 17.685 29.984 ( 6.579 -8.234 -5.340) 11.815 31.438 ( -0.053 5.584 6.752) 8.762 31.815 ( 0.157 -10.292 0.568) 10.309 ======================= Grid point 116 (60/108) ======================= q-point: ( 0.10 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 7.626 6.635 16.384) 19.251 1.510 ( 4.372 7.675 22.423) 24.100 1.861 ( 2.878 -10.305 0.327) 10.704 1.984 ( 2.640 -12.933 8.319) 15.603 2.205 ( 8.629 5.526 6.796) 12.296 2.364 ( 0.803 0.166 -4.700) 4.771 2.403 ( 7.498 2.122 4.366) 8.932 2.523 ( 6.936 -0.245 -0.075) 6.940 2.682 ( 2.327 1.988 -2.398) 3.889 2.734 ( 3.021 2.617 -4.877) 6.306 2.842 ( 1.295 5.727 10.837) 12.325 2.988 ( -1.592 0.849 -0.366) 1.840 3.149 ( 3.527 1.211 4.888) 6.148 3.213 ( 3.327 6.278 6.027) 9.317 3.330 ( 2.016 -2.604 0.685) 3.364 3.470 ( 0.926 1.496 -2.805) 3.311 3.528 ( 3.737 -2.703 -2.792) 5.391 3.669 ( -1.055 -4.049 3.313) 5.337 3.832 ( -2.765 1.851 -0.369) 3.347 3.979 ( -0.950 -1.157 -0.366) 1.541 3.997 ( -2.807 -3.723 -1.310) 4.843 4.140 ( -2.711 -6.279 -1.545) 7.011 4.295 ( -0.041 2.272 -4.738) 5.255 4.478 ( 2.456 1.733 -1.753) 3.480 4.525 ( -3.568 -0.245 -2.557) 4.397 4.668 ( -0.948 3.040 -3.816) 4.970 4.779 ( -1.054 3.156 -2.623) 4.237 4.857 ( -0.923 4.726 -1.040) 4.926 4.902 ( -1.591 -2.528 3.390) 4.518 5.018 ( -4.201 0.099 1.899) 4.612 5.053 ( -1.996 -0.837 -1.061) 2.411 5.195 ( -6.571 -1.677 0.563) 6.804 5.217 ( 0.399 0.793 -0.574) 1.058 5.345 ( 1.126 -1.056 0.459) 1.611 5.366 ( -0.223 -1.608 1.824) 2.442 5.455 ( -3.517 -2.638 6.021) 7.455 5.608 ( -2.313 0.694 3.235) 4.037 5.652 ( -1.803 -1.940 5.261) 5.890 5.766 ( 6.329 2.051 0.749) 6.696 5.871 ( 0.471 -2.915 1.686) 3.400 6.352 ( 1.444 3.184 -0.356) 3.515 6.488 ( 2.979 3.268 4.265) 6.143 6.624 ( 4.741 -3.399 -1.565) 6.040 6.706 ( 4.057 -3.931 -2.414) 6.143 6.796 ( 5.828 1.482 -1.786) 6.273 6.930 ( 9.204 1.211 -5.930) 11.016 7.003 ( 1.214 0.702 -2.279) 2.676 7.112 ( -4.176 -4.830 -4.863) 8.026 7.357 ( -0.909 2.782 -2.884) 4.109 7.573 ( -2.371 -6.674 -0.358) 7.092 8.014 ( -0.205 5.920 -0.926) 5.996 8.215 ( 0.196 8.897 -3.557) 9.584 8.334 ( -4.219 2.550 -3.894) 6.282 8.735 ( -3.882 -3.883 -3.441) 6.480 9.129 ( -0.477 1.014 -1.436) 1.821 9.317 ( 1.939 -7.552 -1.182) 7.886 10.059 ( -3.636 4.119 -0.180) 5.497 10.137 ( -0.534 0.598 4.026) 4.105 10.506 ( 6.692 1.007 -2.739) 7.301 10.618 ( 3.851 -2.829 -0.395) 4.794 11.792 ( 5.619 0.008 5.227) 7.675 11.801 ( 4.256 -0.303 4.556) 6.243 12.365 ( -2.973 2.261 0.919) 3.846 12.488 ( 0.980 -2.391 0.327) 2.605 13.031 ( 3.947 1.692 -0.683) 4.349 13.140 ( 2.354 -2.804 0.592) 3.709 13.878 ( -2.217 6.194 0.030) 6.579 14.103 ( -1.487 -3.124 -4.427) 5.619 14.410 ( -2.880 5.539 4.441) 7.662 14.666 ( -4.579 -4.143 -1.759) 6.420 15.046 ( -4.469 4.899 -6.579) 9.340 15.412 ( -10.725 -9.308 2.450) 14.411 16.143 ( -5.800 0.814 4.101) 7.150 16.285 ( -1.496 -4.933 4.990) 7.175 19.318 ( -2.534 5.196 -0.174) 5.784 19.574 ( -5.326 -5.390 4.157) 8.643 24.710 ( -2.500 1.723 0.195) 3.042 24.814 ( -4.776 -2.787 0.649) 5.568 25.531 ( -2.453 6.503 1.099) 7.037 25.736 ( -1.495 -2.439 -1.323) 3.152 26.278 ( 8.372 5.769 -0.263) 10.171 26.538 ( 9.271 -4.335 2.736) 10.594 27.092 ( 5.894 0.669 -1.124) 6.038 27.129 ( 8.159 -0.660 -4.658) 9.418 28.560 ( -1.943 2.748 -1.315) 3.613 28.783 ( -0.565 -8.359 0.603) 8.400 29.418 ( 0.711 16.752 -3.003) 17.034 30.009 ( 0.846 -8.796 -7.860) 11.827 31.444 ( -3.493 4.486 5.773) 8.102 31.732 ( -8.323 -7.071 1.633) 11.043 ======================= Grid point 117 (61/108) ======================= q-point: ( 0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 10.812 4.155 11.538) 16.349 1.737 ( 7.191 4.845 15.024) 17.347 1.941 ( 4.488 -6.360 -0.037) 7.785 2.103 ( 5.043 -7.293 5.684) 10.532 2.351 ( 6.983 1.125 -3.292) 7.802 2.409 ( 3.558 -1.286 -2.927) 4.783 2.601 ( 9.074 1.674 2.295) 9.508 2.634 ( 6.510 1.947 -2.540) 7.255 2.752 ( 4.187 2.155 -0.776) 4.772 2.796 ( 5.728 -1.939 0.460) 6.064 2.901 ( 1.234 4.482 4.330) 6.353 2.990 ( 2.151 -0.225 1.698) 2.749 3.159 ( -0.774 0.612 -1.071) 1.456 3.297 ( 0.813 2.358 1.179) 2.759 3.435 ( 3.711 -0.362 -3.069) 4.829 3.471 ( 1.642 1.885 3.354) 4.183 3.578 ( 1.642 -3.739 0.781) 4.158 3.698 ( -0.490 -4.623 3.173) 5.629 3.799 ( 0.250 3.088 0.912) 3.229 3.957 ( 0.234 -1.512 2.100) 2.599 4.016 ( 2.194 -0.743 1.984) 3.049 4.109 ( 0.728 -2.377 -1.712) 3.019 4.255 ( -0.239 3.357 -1.153) 3.558 4.426 ( -3.112 5.895 0.196) 6.668 4.470 ( -3.851 -3.745 -3.614) 6.474 4.614 ( -2.431 -0.033 -3.625) 4.365 4.710 ( -4.018 3.429 -0.541) 5.310 4.795 ( -2.737 3.789 -2.325) 5.220 4.868 ( -3.822 0.050 -0.852) 3.917 4.957 ( -3.303 -1.542 1.487) 3.937 4.999 ( -2.223 1.106 1.122) 2.725 5.112 ( -4.661 -6.122 0.108) 7.695 5.198 ( -1.779 1.027 2.012) 2.876 5.311 ( -2.452 -2.069 -0.010) 3.208 5.409 ( 0.370 -0.017 5.105) 5.118 5.479 ( 1.260 -0.983 4.131) 4.429 5.565 ( -4.123 1.310 3.888) 5.817 5.675 ( 0.887 -3.565 3.639) 5.171 5.904 ( 5.903 -0.159 -1.319) 6.051 5.982 ( 9.444 -1.453 2.993) 10.013 6.374 ( 0.893 2.633 -1.151) 3.009 6.516 ( 0.500 5.107 0.560) 5.161 6.661 ( -1.156 -6.968 -5.136) 8.733 6.746 ( 2.894 1.137 0.010) 3.110 6.819 ( 0.605 -1.358 -5.350) 5.552 6.950 ( -2.444 -1.378 -4.207) 5.057 7.045 ( 3.025 3.221 -0.842) 4.498 7.141 ( 7.684 -0.344 -1.471) 7.831 7.364 ( 3.678 2.756 -1.669) 4.889 7.565 ( 0.910 -4.771 0.567) 4.890 8.000 ( -0.119 5.500 -1.485) 5.698 8.181 ( -0.197 7.758 -4.103) 8.778 8.230 ( -4.622 0.564 -1.863) 5.015 8.647 ( -4.385 -7.713 -0.156) 8.874 9.163 ( 4.012 2.684 0.533) 4.856 9.358 ( 3.093 -5.614 0.030) 6.409 9.957 ( -5.892 4.273 -1.137) 7.367 10.083 ( -6.430 -0.886 1.499) 6.662 10.635 ( 8.077 0.198 -2.635) 8.498 10.699 ( 5.293 -2.005 -2.090) 6.033 11.934 ( 5.861 1.431 6.322) 8.739 12.022 ( 11.377 -2.257 5.783) 12.960 12.308 ( -1.690 4.336 0.164) 4.657 12.497 ( 0.872 -3.184 -0.748) 3.385 13.103 ( 4.975 1.255 -3.485) 6.203 13.185 ( 2.792 -2.129 -1.652) 3.880 13.819 ( -3.414 5.071 -0.570) 6.140 14.023 ( -3.761 -3.097 -2.692) 5.566 14.380 ( -3.024 3.548 3.062) 5.577 14.575 ( -4.942 -3.622 -0.049) 6.128 14.909 ( -6.209 5.333 -3.564) 8.927 15.233 ( -11.129 -7.182 5.951) 14.520 16.033 ( -7.870 3.073 1.988) 8.680 16.234 ( -5.903 -4.623 2.557) 7.922 19.265 ( -2.712 4.302 -0.025) 5.086 19.485 ( -5.907 -4.367 2.698) 7.826 24.651 ( -3.353 1.210 -0.279) 3.576 24.724 ( -4.903 -1.654 0.446) 5.193 25.516 ( -1.094 4.589 3.422) 5.828 25.709 ( -1.489 -2.993 0.727) 3.421 26.448 ( 9.988 5.480 -2.923) 11.761 26.723 ( 8.590 -5.099 -1.990) 10.186 27.228 ( 8.632 0.745 -0.871) 8.708 27.268 ( 9.697 -0.688 -1.701) 9.869 28.538 ( -0.407 3.342 1.423) 3.655 28.805 ( 1.625 -9.699 2.348) 10.111 29.407 ( 0.564 15.466 -3.453) 15.857 29.937 ( -2.660 -7.676 -7.585) 11.115 31.388 ( -5.428 2.939 3.776) 7.236 31.566 ( -9.990 -3.977 2.098) 10.955 ======================= Grid point 118 (62/108) ======================= q-point: ( 0.30 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 7.713 3.493 4.710) 9.689 1.975 ( 9.720 -0.354 5.983) 11.419 2.029 ( 5.050 -0.899 2.105) 5.544 2.231 ( 5.378 -3.011 2.694) 6.727 2.417 ( 2.204 1.169 -4.757) 5.371 2.480 ( 5.447 -1.499 -1.248) 5.786 2.619 ( -1.891 1.293 -0.460) 2.337 2.760 ( 3.695 -1.356 -3.355) 5.172 2.838 ( 5.736 0.817 1.639) 6.021 2.941 ( 6.675 -0.187 1.554) 6.856 2.987 ( 5.626 0.248 3.096) 6.426 3.063 ( 2.792 -0.344 0.572) 2.870 3.119 ( -0.744 2.268 -2.803) 3.682 3.311 ( 0.209 -0.135 -0.232) 0.340 3.441 ( 0.163 -1.301 -1.122) 1.726 3.504 ( 0.293 2.427 -1.841) 3.061 3.575 ( -2.525 -3.697 -0.252) 4.484 3.702 ( 0.063 -4.171 4.947) 6.471 3.816 ( 0.939 0.365 1.060) 1.462 3.970 ( -0.661 -5.348 -2.062) 5.769 4.031 ( -1.163 2.974 1.641) 3.590 4.135 ( -0.007 -0.470 0.468) 0.663 4.286 ( 1.047 5.539 1.836) 5.928 4.380 ( -1.722 1.669 -3.016) 3.853 4.415 ( -0.623 3.380 3.964) 5.246 4.534 ( -5.540 2.637 1.023) 6.220 4.610 ( -3.454 0.630 -3.405) 4.891 4.752 ( -3.699 0.172 -1.003) 3.836 4.805 ( 0.759 0.441 -4.449) 4.534 4.887 ( -4.134 2.281 1.096) 4.847 4.944 ( -3.573 1.733 -0.801) 4.051 5.043 ( -2.494 -4.251 1.888) 5.278 5.164 ( -2.249 -0.591 -2.062) 3.108 5.312 ( 1.324 -3.686 3.762) 5.430 5.406 ( -5.282 -1.684 5.056) 7.503 5.492 ( -2.196 -2.877 7.307) 8.154 5.582 ( 3.968 3.360 0.738) 5.251 5.718 ( 2.926 -2.184 -0.501) 3.686 5.983 ( 3.914 0.457 -0.483) 3.970 6.139 ( 1.944 -1.428 0.136) 2.416 6.385 ( 3.285 -0.085 -0.961) 3.423 6.501 ( -1.897 -3.525 -4.907) 6.333 6.633 ( 2.439 0.753 1.080) 2.772 6.731 ( -3.131 -1.127 -2.664) 4.263 6.824 ( 3.377 4.466 -0.134) 5.601 6.944 ( 1.270 -0.369 3.539) 3.778 7.103 ( 2.723 4.136 0.932) 5.039 7.230 ( 2.930 -1.084 -0.750) 3.213 7.454 ( 5.726 1.968 -2.960) 6.740 7.573 ( -0.233 -1.255 -0.978) 1.608 8.000 ( 1.147 4.352 -1.658) 4.796 8.138 ( -1.788 -0.164 -1.798) 2.541 8.192 ( 1.631 4.786 -1.818) 5.373 8.566 ( -4.198 -8.319 0.390) 9.326 9.273 ( 6.246 2.674 2.699) 7.311 9.436 ( 4.546 -3.979 1.217) 6.163 9.848 ( -4.486 2.790 -1.513) 5.495 9.948 ( -7.542 -1.259 -0.375) 7.655 10.753 ( 5.508 -0.369 -2.184) 5.937 10.778 ( 4.917 -1.063 -3.302) 6.018 12.009 ( -1.843 2.992 0.979) 3.648 12.160 ( 0.132 -3.037 4.274) 5.245 12.430 ( 12.414 2.712 3.862) 13.281 12.544 ( 4.289 -1.816 1.611) 4.928 13.166 ( 5.077 0.862 -6.926) 8.631 13.227 ( 3.811 -1.794 -3.604) 5.544 13.760 ( -2.334 4.579 0.051) 5.140 13.963 ( -1.292 -3.428 0.470) 3.693 14.329 ( -3.752 2.036 0.962) 4.376 14.472 ( -6.288 -3.301 0.898) 7.158 14.787 ( -5.024 5.458 -0.386) 7.428 15.066 ( -10.795 -5.503 6.153) 13.590 15.883 ( -8.210 4.331 -0.766) 9.314 16.117 ( -7.195 -4.566 0.569) 8.541 19.224 ( -1.534 3.399 -0.049) 3.730 19.402 ( -4.282 -3.458 1.948) 5.839 24.590 ( -2.702 0.861 -0.702) 2.921 24.642 ( -3.824 -1.154 -0.055) 3.995 25.522 ( -1.106 3.323 4.492) 5.696 25.688 ( -1.642 -3.044 2.191) 4.094 26.582 ( 7.239 4.653 -7.496) 11.412 26.798 ( 3.230 -3.536 -9.049) 10.238 27.399 ( 9.457 0.957 2.278) 9.775 27.483 ( 10.562 -2.354 6.330) 12.537 28.561 ( 0.945 4.252 3.896) 5.843 28.856 ( 1.650 -9.563 2.657) 10.062 29.406 ( 1.764 12.842 -3.314) 13.379 29.833 ( -3.095 -5.960 -6.993) 9.695 31.301 ( -5.364 1.653 1.691) 5.862 31.398 ( -8.686 -2.095 1.078) 9.000 ======================= Grid point 119 (63/108) ======================= q-point: ( 0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 3.947 2.785 -1.876) 5.182 2.103 ( 1.608 -2.888 -0.492) 3.341 2.174 ( 5.883 1.851 5.153) 8.037 2.338 ( 4.564 -2.152 1.478) 5.258 2.431 ( -0.093 1.624 -0.884) 1.851 2.483 ( 0.761 1.819 -0.816) 2.134 2.674 ( 4.645 -0.843 -1.560) 4.972 2.798 ( 2.643 -0.312 0.053) 2.662 2.874 ( -2.477 -1.822 -1.585) 3.459 3.008 ( 1.381 2.685 -1.356) 3.310 3.044 ( 0.325 -1.308 -1.557) 2.059 3.142 ( 4.980 -0.981 3.104) 5.949 3.172 ( 3.942 -2.721 -2.095) 5.228 3.293 ( -0.308 -2.430 -1.051) 2.666 3.439 ( -0.308 1.077 0.826) 1.392 3.457 ( -3.435 0.628 -1.983) 4.016 3.554 ( 1.101 -1.823 0.715) 2.247 3.706 ( -2.037 -3.233 2.724) 4.693 3.868 ( 2.300 -0.187 1.926) 3.006 3.928 ( -0.811 -3.115 -3.291) 4.603 4.024 ( -0.332 1.693 -0.732) 1.874 4.111 ( -1.724 -0.909 2.221) 2.955 4.266 ( -3.735 3.965 -2.239) 5.889 4.317 ( -5.892 2.420 -2.057) 6.694 4.380 ( -3.955 2.090 0.744) 4.535 4.409 ( -3.897 2.701 -2.442) 5.333 4.589 ( -0.384 4.622 2.499) 5.268 4.678 ( -2.235 1.000 -2.568) 3.548 4.790 ( 1.076 -0.231 -3.849) 4.003 4.849 ( 0.373 2.031 0.840) 2.230 4.917 ( -0.664 1.209 1.226) 1.845 5.032 ( -0.580 -1.658 2.544) 3.091 5.122 ( -0.870 -1.669 -0.674) 2.000 5.277 ( -5.816 -3.873 3.232) 7.699 5.390 ( -1.969 0.576 6.642) 6.952 5.486 ( -2.364 -2.861 4.712) 5.998 5.687 ( 6.102 2.034 0.050) 6.432 5.772 ( 2.953 -1.972 -2.457) 4.318 6.031 ( 0.709 1.093 -0.557) 1.417 6.081 ( -2.891 -0.555 -2.593) 3.923 6.417 ( 0.161 -3.175 0.275) 3.191 6.517 ( 2.446 -5.869 -2.100) 6.696 6.639 ( -0.729 3.055 0.789) 3.239 6.725 ( 3.257 -0.076 -0.046) 3.258 6.934 ( 6.833 4.049 2.059) 8.205 7.006 ( 1.875 1.545 5.883) 6.365 7.161 ( 1.998 1.655 3.728) 4.542 7.235 ( -2.626 -1.246 0.553) 2.959 7.503 ( 2.184 2.399 -3.735) 4.947 7.569 ( 1.529 0.201 -2.823) 3.217 8.012 ( 1.131 4.482 -1.706) 4.927 8.131 ( 1.543 -0.523 -0.563) 1.724 8.220 ( 2.225 2.487 -2.307) 4.057 8.502 ( -2.710 -6.947 0.384) 7.467 9.412 ( 5.513 1.839 4.412) 7.297 9.526 ( 3.430 -2.600 1.750) 4.646 9.777 ( -1.835 0.770 -1.739) 2.643 9.814 ( -5.760 -0.660 -1.540) 5.999 10.795 ( 1.986 0.348 -5.320) 5.689 10.845 ( 2.894 -1.563 -0.616) 3.346 11.918 ( -5.695 4.543 -2.917) 7.847 12.154 ( -2.881 -4.565 3.168) 6.259 12.635 ( 4.287 1.180 2.856) 5.285 12.688 ( 8.035 -0.584 6.347) 10.256 13.207 ( 4.847 1.466 -8.828) 10.177 13.300 ( 6.508 -2.095 -3.858) 7.850 13.743 ( 0.083 4.608 1.469) 4.837 13.973 ( 0.927 -4.174 1.977) 4.710 14.259 ( -3.880 1.614 0.282) 4.212 14.359 ( -6.380 -2.408 1.884) 7.075 14.732 ( -0.743 3.863 1.489) 4.206 14.919 ( -7.422 -3.485 3.535) 8.929 15.725 ( -7.108 5.153 -2.777) 9.209 15.989 ( -6.052 -4.941 -0.341) 7.820 19.209 ( 0.088 2.727 -0.158) 2.733 19.353 ( -2.171 -2.781 1.980) 4.046 24.546 ( -1.377 0.580 -0.903) 1.746 24.582 ( -2.389 -0.788 -0.440) 2.553 25.531 ( -1.079 2.692 4.950) 5.737 25.680 ( -0.758 -3.033 2.971) 4.313 26.619 ( 2.914 3.252 -10.277) 11.166 26.750 ( -0.818 -1.701 -11.558) 11.711 27.606 ( 9.263 0.801 6.155) 11.150 27.702 ( 6.835 -2.961 8.546) 11.336 28.613 ( 1.154 4.380 5.458) 7.093 28.888 ( 0.217 -7.909 1.729) 8.098 29.427 ( 2.130 9.483 -2.444) 10.022 29.745 ( -1.247 -4.275 -6.934) 8.241 31.219 ( -3.793 0.713 0.394) 3.880 31.261 ( -6.132 -0.908 0.078) 6.199 ======================= Grid point 120 (64/108) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.781 0.929 -1.477) 1.912 2.044 ( -5.109 -0.283 -1.192) 5.254 2.253 ( -1.179 1.328 2.524) 3.087 2.406 ( 0.009 -1.745 1.747) 2.469 2.435 ( 2.024 0.936 0.442) 2.273 2.500 ( -0.556 -0.794 0.731) 1.214 2.716 ( -2.489 2.130 -5.389) 6.307 2.755 ( -2.202 0.509 1.041) 2.488 2.823 ( -4.393 -3.705 1.158) 5.862 3.010 ( 0.180 0.924 0.036) 0.943 3.086 ( 3.173 -1.322 -3.220) 4.710 3.105 ( -3.195 0.263 -0.823) 3.309 3.209 ( -1.771 -2.964 -1.110) 3.627 3.322 ( 2.092 -6.718 0.202) 7.039 3.394 ( -0.556 2.679 -2.967) 4.036 3.469 ( 3.893 1.774 -0.822) 4.356 3.580 ( 0.778 -2.107 -3.264) 3.962 3.706 ( -0.419 -1.248 5.718) 5.868 3.880 ( -0.464 1.916 0.248) 1.987 3.916 ( -0.117 -0.139 -2.083) 2.091 4.019 ( 1.753 0.307 -1.744) 2.492 4.077 ( -2.454 -1.214 -2.778) 3.900 4.172 ( -4.180 2.528 -1.826) 5.215 4.227 ( 0.118 0.350 -1.222) 1.277 4.319 ( -1.048 1.614 1.973) 2.757 4.371 ( -0.648 0.786 1.441) 1.765 4.586 ( -1.116 3.965 1.376) 4.342 4.648 ( -0.901 5.142 -0.703) 5.268 4.786 ( 0.374 -0.941 -2.877) 3.050 4.891 ( 0.429 0.840 0.143) 0.954 4.921 ( 2.687 1.825 1.026) 3.407 5.040 ( -0.602 1.337 4.892) 5.107 5.130 ( 1.714 -3.376 0.471) 3.816 5.219 ( -2.639 -2.420 5.180) 6.297 5.365 ( -3.885 0.573 4.543) 6.005 5.463 ( -3.323 -1.455 4.623) 5.876 5.748 ( 0.505 -0.201 -1.280) 1.390 5.794 ( 0.834 -2.120 -4.108) 4.697 5.992 ( -2.000 1.361 -0.904) 2.583 6.078 ( 1.571 -0.770 -1.112) 2.073 6.411 ( -0.979 -2.205 -0.600) 2.486 6.505 ( -0.761 -4.819 0.407) 4.896 6.669 ( 1.067 3.061 2.223) 3.930 6.792 ( 1.749 -0.879 0.666) 2.068 7.038 ( 2.752 1.656 2.463) 4.047 7.092 ( 1.997 0.226 2.949) 3.569 7.165 ( -0.345 1.442 1.613) 2.191 7.228 ( 0.551 0.792 1.800) 2.042 7.533 ( 3.190 1.660 -3.246) 4.844 7.576 ( 1.290 -0.555 -2.568) 2.927 8.028 ( 1.867 5.763 -0.929) 6.129 8.164 ( 1.711 -0.903 -0.706) 2.060 8.237 ( 1.600 2.015 -3.558) 4.391 8.475 ( -0.461 -5.436 1.072) 5.560 9.519 ( 2.436 1.017 5.373) 5.987 9.575 ( 0.315 -0.975 2.987) 3.158 9.717 ( -2.956 0.198 -2.792) 4.071 9.754 ( 0.496 -1.308 -2.978) 3.290 10.771 ( -0.939 1.113 -5.096) 5.300 10.864 ( -0.378 -2.651 -1.002) 2.859 11.791 ( -5.519 6.115 -2.053) 8.489 12.106 ( -4.140 -6.339 3.323) 8.268 12.689 ( -0.467 2.732 3.927) 4.806 12.816 ( 1.918 -2.591 4.401) 5.455 13.233 ( 3.381 3.263 -9.105) 10.245 13.381 ( 2.594 -2.598 -3.533) 5.095 13.776 ( 2.160 4.011 1.283) 4.733 14.010 ( 1.870 -4.561 1.722) 5.222 14.201 ( -2.473 1.676 2.047) 3.621 14.272 ( -4.006 -1.234 3.499) 5.460 14.789 ( 5.710 1.339 1.404) 6.030 14.861 ( 0.452 -1.425 0.223) 1.511 15.593 ( -4.638 6.045 -3.013) 8.194 15.899 ( -3.201 -5.672 0.094) 6.514 19.222 ( 1.349 2.270 -0.525) 2.692 19.342 ( -0.538 -2.326 2.201) 3.247 24.527 ( -0.023 0.382 -0.953) 1.027 24.551 ( -0.478 -0.504 -0.446) 0.826 25.546 ( -0.642 2.693 5.140) 5.838 25.701 ( 0.960 -3.257 3.284) 4.724 26.572 ( -0.919 1.952 -9.521) 9.763 26.638 ( -3.180 -0.500 -10.903) 11.369 27.788 ( 3.301 -0.191 6.552) 7.339 27.837 ( 4.026 -1.685 6.579) 7.895 28.671 ( 1.124 3.216 6.225) 7.097 28.888 ( -1.074 -6.337 1.112) 6.523 29.436 ( -0.009 8.008 -2.157) 8.293 29.706 ( 1.828 -3.508 -7.372) 8.366 31.171 ( -1.962 0.070 0.490) 2.023 31.176 ( -2.329 -0.125 -0.117) 2.335 ======================= Grid point 121 (65/108) ======================= q-point: (-0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -10.572 1.495 0.929) 10.718 2.015 ( -1.439 -3.222 0.184) 3.534 2.155 ( -10.905 3.959 0.417) 11.609 2.365 ( -5.797 0.119 2.306) 6.240 2.420 ( -4.118 -4.058 -1.012) 5.869 2.491 ( -1.683 0.727 0.155) 1.840 2.565 ( -5.125 0.023 0.798) 5.187 2.698 ( -7.021 -2.429 2.306) 7.779 2.776 ( -0.699 -3.005 0.585) 3.140 2.946 ( -4.939 -2.301 1.057) 5.551 3.075 ( -2.885 3.185 -3.954) 5.840 3.117 ( 0.547 2.349 -0.819) 2.547 3.155 ( 2.295 0.776 -3.453) 4.218 3.367 ( -0.843 2.959 -2.416) 3.912 3.391 ( 4.124 -6.609 1.280) 7.894 3.531 ( 1.420 -1.861 -3.400) 4.128 3.577 ( 3.003 0.707 -3.955) 5.016 3.712 ( -3.436 -1.049 3.428) 4.965 3.840 ( -3.408 4.112 2.945) 6.099 3.885 ( -2.496 2.143 -0.595) 3.343 4.018 ( -1.379 -1.778 -3.033) 3.776 4.104 ( 4.848 -0.884 -0.514) 4.955 4.130 ( 1.796 2.238 0.299) 2.886 4.227 ( 0.903 -0.786 -0.276) 1.229 4.378 ( 3.543 0.300 4.419) 5.672 4.437 ( 5.158 0.370 2.857) 5.908 4.559 ( -1.362 2.833 -0.288) 3.156 4.648 ( 2.733 3.819 -0.613) 4.736 4.775 ( 0.063 0.515 -1.485) 1.573 4.877 ( 0.829 1.156 -2.791) 3.133 4.974 ( 0.943 1.602 1.227) 2.228 5.122 ( 4.871 -1.399 5.312) 7.342 5.160 ( -0.725 -2.369 3.603) 4.372 5.245 ( 3.074 -3.012 0.930) 4.403 5.336 ( -1.803 1.342 5.381) 5.832 5.428 ( -3.418 -1.570 6.366) 7.394 5.724 ( -4.008 1.707 -3.048) 5.317 5.737 ( -0.127 -0.041 -2.510) 2.514 5.956 ( -2.311 -1.205 -0.647) 2.685 6.073 ( -1.843 -3.656 -0.887) 4.189 6.390 ( -1.039 0.737 -0.302) 1.308 6.504 ( -0.109 -2.894 0.003) 2.896 6.659 ( -4.536 1.979 1.746) 5.248 6.778 ( -1.170 -1.788 0.994) 2.357 7.071 ( -2.183 1.995 -3.406) 4.511 7.121 ( 0.422 0.758 2.921) 3.047 7.202 ( 2.766 2.064 1.434) 3.737 7.271 ( 4.689 1.140 1.781) 5.144 7.504 ( -2.477 0.757 -5.532) 6.109 7.621 ( 2.343 -4.930 -1.462) 5.651 8.082 ( 3.849 5.541 -0.440) 6.760 8.171 ( -0.226 -0.484 -1.205) 1.318 8.242 ( 2.418 3.652 -5.462) 7.001 8.507 ( 3.001 -4.034 2.011) 5.416 9.573 ( -1.923 0.305 4.241) 4.666 9.580 ( -0.727 0.294 5.276) 5.334 9.668 ( -0.119 0.480 -3.223) 3.260 9.748 ( 1.504 -2.202 -4.751) 5.448 10.697 ( -3.898 1.860 -3.439) 5.521 10.818 ( -3.335 -2.922 -2.247) 4.970 11.710 ( -2.491 6.246 1.999) 7.016 12.046 ( -4.769 -7.175 4.190) 9.580 12.672 ( -4.162 3.826 4.098) 6.983 12.833 ( -2.402 -3.054 3.383) 5.152 13.200 ( -0.644 2.673 -9.282) 9.681 13.311 ( -6.464 -1.920 -5.571) 8.746 13.809 ( 0.369 4.487 -0.096) 4.503 14.041 ( -0.771 -3.459 1.550) 3.868 14.237 ( 4.685 -0.099 3.262) 5.710 14.289 ( 3.518 -0.954 6.935) 7.835 14.924 ( 7.456 0.232 -3.654) 8.306 14.950 ( 9.564 -0.295 -0.540) 9.584 15.529 ( -0.620 6.792 -0.198) 6.824 15.880 ( 0.654 -6.704 2.299) 7.117 19.248 ( 1.881 2.103 -1.238) 3.081 19.358 ( 0.629 -2.117 2.337) 3.216 24.532 ( 1.168 0.564 -0.794) 1.521 24.562 ( 1.901 -0.612 -0.139) 2.002 25.573 ( -0.041 3.388 5.239) 6.240 25.760 ( 3.166 -3.827 3.108) 5.858 26.471 ( -4.400 1.133 -6.288) 7.758 26.502 ( -4.319 0.116 -9.148) 10.117 27.770 ( -6.696 2.080 2.469) 7.434 27.955 ( 2.850 -5.135 3.865) 7.031 28.733 ( 1.234 2.133 5.769) 6.273 28.870 ( -1.468 -4.180 1.736) 4.758 29.400 ( -1.933 8.871 -2.619) 9.449 29.708 ( 3.372 -4.086 -8.467) 9.987 31.148 ( -0.114 0.744 1.183) 1.402 31.186 ( 2.071 -0.705 1.774) 2.817 ======================= Grid point 122 (66/108) ======================= q-point: (-0.30 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -15.165 3.321 5.652) 16.521 1.841 ( -19.770 5.820 3.429) 20.892 1.974 ( -5.123 -6.700 0.291) 8.439 2.190 ( -12.146 -1.117 1.102) 12.247 2.331 ( -4.065 -6.292 1.033) 7.561 2.463 ( -2.332 -5.837 2.012) 6.599 2.528 ( -2.270 2.544 3.656) 4.999 2.651 ( -0.632 -0.299 3.588) 3.656 2.754 ( -1.525 0.967 1.582) 2.401 2.878 ( -3.981 -0.358 0.136) 3.999 2.973 ( -6.121 4.692 1.223) 7.808 3.101 ( -2.507 4.202 -1.010) 4.996 3.131 ( -3.817 1.002 -4.300) 5.836 3.336 ( -2.140 2.789 0.070) 3.516 3.448 ( -0.815 -3.523 1.356) 3.862 3.499 ( -0.980 -0.441 -5.833) 5.931 3.566 ( -3.108 0.027 -2.256) 3.841 3.660 ( 2.700 -0.150 1.030) 2.893 3.848 ( -0.267 2.771 6.762) 7.313 3.869 ( 1.963 0.209 1.410) 2.426 3.990 ( 0.761 -3.425 -2.382) 4.241 4.145 ( 1.216 0.113 0.397) 1.285 4.190 ( -0.663 -1.488 1.445) 2.177 4.281 ( 4.136 0.086 -1.368) 4.357 4.385 ( -2.292 2.170 3.029) 4.374 4.542 ( 4.838 0.679 0.395) 4.901 4.650 ( 7.847 0.976 -0.321) 7.914 4.744 ( 6.146 2.395 -0.015) 6.596 4.790 ( 3.552 -0.733 0.662) 3.687 4.888 ( 2.662 0.487 -4.512) 5.261 5.005 ( 2.000 1.576 0.665) 2.632 5.132 ( -2.112 -4.516 0.007) 4.986 5.211 ( 1.472 -2.359 2.010) 3.430 5.305 ( -0.073 -3.385 0.561) 3.432 5.403 ( 4.809 0.628 5.787) 7.550 5.438 ( 0.834 -0.263 5.206) 5.279 5.635 ( -2.966 3.661 -0.182) 4.715 5.749 ( 2.409 1.389 -0.195) 2.788 5.895 ( -3.898 -1.624 2.010) 4.676 6.011 ( -4.201 -4.980 1.598) 6.708 6.357 ( -2.147 2.511 -0.668) 3.370 6.455 ( -4.457 -0.287 -0.880) 4.552 6.603 ( -1.269 1.723 0.104) 2.143 6.753 ( -3.749 -2.906 0.436) 4.763 6.941 ( -5.494 5.410 -4.672) 9.016 7.115 ( -1.979 -1.710 0.612) 2.686 7.291 ( 1.204 2.840 -0.286) 3.098 7.376 ( 2.625 0.126 -1.754) 3.160 7.424 ( 2.439 -0.491 -1.059) 2.704 7.589 ( -3.880 -8.241 -4.445) 10.136 8.103 ( -0.884 1.476 -2.125) 2.734 8.148 ( -0.751 2.046 -3.817) 4.396 8.301 ( 7.405 6.650 -5.170) 11.216 8.613 ( 7.043 -2.925 1.099) 7.705 9.517 ( -4.153 0.873 -0.885) 4.335 9.574 ( -3.091 -0.959 0.799) 3.333 9.684 ( 1.928 0.730 1.664) 2.649 9.770 ( 3.559 -1.973 -1.013) 4.193 10.590 ( -5.430 3.069 -1.966) 6.539 10.723 ( -4.905 -2.184 -1.822) 5.670 11.734 ( 1.995 3.994 6.374) 7.782 11.989 ( -4.188 -6.472 5.559) 9.504 12.573 ( -8.905 5.110 2.801) 10.642 12.769 ( -7.084 -3.162 2.578) 8.175 13.101 ( -5.566 0.350 -9.103) 10.676 13.127 ( -4.727 -0.663 -5.863) 7.561 13.801 ( -0.387 6.081 -0.418) 6.108 14.028 ( -1.022 -2.216 2.151) 3.253 14.343 ( 4.108 1.025 3.227) 5.323 14.498 ( 11.317 -4.015 8.018) 14.439 15.038 ( 8.301 1.899 -8.710) 12.181 15.136 ( 10.464 -1.357 -1.449) 10.650 15.579 ( 4.264 6.662 4.907) 9.308 15.954 ( 4.486 -7.851 5.097) 10.380 19.274 ( 1.915 2.453 -1.713) 3.553 19.396 ( 1.735 -2.277 2.638) 3.893 24.564 ( 2.714 1.043 -0.419) 2.938 24.618 ( 3.908 -1.063 0.331) 4.064 25.610 ( 0.377 4.930 5.118) 7.116 25.856 ( 5.125 -4.688 1.546) 7.116 26.335 ( -6.119 1.288 -4.458) 7.679 26.370 ( -5.048 -0.145 -3.742) 6.285 27.596 ( -11.753 3.888 -0.837) 12.407 27.949 ( -4.694 -11.614 -3.118) 12.909 28.790 ( 1.627 2.966 4.498) 5.628 28.859 ( -1.230 -0.780 1.801) 2.316 29.341 ( -2.205 10.564 -2.832) 11.157 29.719 ( 3.679 -4.959 -8.669) 10.643 31.182 ( 2.236 1.850 3.094) 4.242 31.279 ( 5.884 -1.875 4.420) 7.594 ======================= Grid point 123 (67/108) ======================= q-point: (-0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -16.982 6.086 12.472) 21.931 1.498 ( -20.137 9.491 11.963) 25.272 1.882 ( -4.584 -10.764 1.222) 11.763 1.998 ( -10.030 -6.038 6.724) 13.501 2.269 ( -4.989 -5.376 3.605) 8.173 2.399 ( -8.733 -4.641 7.202) 12.234 2.509 ( -1.125 2.533 0.192) 2.778 2.610 ( -11.946 7.795 5.891) 15.433 2.710 ( -1.666 5.712 3.493) 6.900 2.800 ( -3.940 -0.120 0.537) 3.978 2.887 ( -2.261 2.336 -0.294) 3.264 2.977 ( -5.672 5.427 -2.929) 8.379 3.072 ( -1.376 -0.963 -0.467) 1.743 3.285 ( -2.199 3.662 0.118) 4.273 3.398 ( -2.149 0.099 -4.448) 4.941 3.459 ( -0.592 -1.554 0.534) 1.746 3.518 ( -1.073 -0.291 -3.326) 3.507 3.795 ( 7.692 -3.550 2.788) 8.918 3.849 ( -3.086 -3.197 1.956) 4.855 3.946 ( 2.245 -3.899 0.197) 4.503 4.028 ( 4.287 -1.961 2.175) 5.192 4.116 ( -1.556 -2.055 0.940) 2.743 4.209 ( 3.659 4.347 -0.567) 5.710 4.329 ( 1.708 -0.341 -2.555) 3.092 4.400 ( 0.712 0.229 3.579) 3.657 4.605 ( 1.587 -1.051 0.083) 1.905 4.747 ( 4.077 2.766 -0.622) 4.966 4.823 ( 2.489 1.744 -1.100) 3.232 4.899 ( 5.114 -0.127 -2.685) 5.777 4.948 ( 6.105 0.223 -1.015) 6.193 5.063 ( 1.732 1.055 1.441) 2.488 5.103 ( 1.094 -0.056 -1.681) 2.006 5.212 ( -0.699 -3.914 -3.167) 5.083 5.275 ( -1.634 -5.570 -1.342) 5.958 5.442 ( 0.300 3.681 2.646) 4.543 5.546 ( 2.927 -1.526 4.711) 5.753 5.637 ( 0.445 0.206 3.581) 3.614 5.803 ( 0.430 -1.737 -0.020) 1.790 5.867 ( 0.949 1.881 4.740) 5.187 5.979 ( -1.582 -4.403 6.472) 7.986 6.302 ( -2.410 4.231 -2.359) 5.411 6.383 ( -2.298 2.376 0.277) 3.317 6.562 ( -3.152 -0.610 -0.800) 3.309 6.640 ( -7.150 -2.412 -0.060) 7.546 6.843 ( -3.377 5.677 -3.814) 7.628 7.048 ( -7.129 -2.791 -0.531) 7.675 7.181 ( -4.184 1.749 -3.639) 5.814 7.350 ( -8.128 -8.579 -8.028) 14.287 7.477 ( 3.328 0.057 -4.780) 5.825 7.564 ( 5.022 -2.394 2.867) 6.258 8.063 ( -1.526 1.273 -1.760) 2.654 8.113 ( 0.431 5.420 -3.950) 6.720 8.397 ( 6.226 6.531 -6.903) 11.360 8.766 ( 8.847 -3.371 -2.778) 9.867 9.411 ( -4.697 0.938 -5.417) 7.231 9.492 ( -4.380 -1.687 -3.404) 5.798 9.746 ( 3.215 2.139 4.389) 5.846 9.875 ( 5.460 -2.752 5.577) 8.276 10.479 ( -4.897 3.348 -1.255) 6.064 10.627 ( -4.298 -2.572 -0.481) 5.032 11.840 ( 3.356 1.802 7.788) 8.670 11.968 ( -2.948 -3.757 7.251) 8.683 12.399 ( -8.747 4.771 0.156) 9.965 12.573 ( -13.387 -2.754 -0.836) 13.693 12.964 ( -2.404 1.699 -4.203) 5.131 13.062 ( -0.768 -2.334 -2.680) 3.636 13.805 ( 1.176 7.263 -0.198) 7.360 14.041 ( 1.135 -2.180 1.582) 2.923 14.421 ( 1.683 4.380 3.421) 5.807 14.748 ( 10.055 -7.991 2.379) 13.063 15.117 ( 6.753 4.070 -10.269) 12.947 15.337 ( 10.862 -4.953 3.515) 12.445 15.732 ( 7.043 6.674 8.051) 12.608 16.092 ( 5.838 -8.586 4.962) 11.508 19.301 ( 2.025 3.507 -1.141) 4.207 19.459 ( 2.875 -2.923 3.698) 5.521 24.625 ( 3.773 1.637 -0.026) 4.113 24.711 ( 5.529 -1.944 0.854) 5.923 25.646 ( 0.224 7.197 3.753) 8.120 25.941 ( 3.288 -4.851 -3.552) 6.853 26.199 ( -5.245 2.299 -3.292) 6.605 26.294 ( -2.285 -1.560 4.962) 5.681 27.345 ( -12.966 3.576 -2.373) 13.657 27.713 ( -15.745 -14.106 -10.979) 23.821 28.809 ( -2.046 3.454 -3.375) 5.245 28.866 ( 0.967 -0.271 4.139) 4.259 29.303 ( 0.745 14.057 -2.362) 14.273 29.751 ( 4.896 -5.193 -4.748) 8.572 31.265 ( 3.504 3.482 5.162) 7.145 31.462 ( 9.739 -4.302 6.347) 12.395 ======================= Grid point 124 (68/108) ======================= q-point: (-0.10 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -12.713 8.873 18.334) 24.010 1.285 ( -12.465 11.846 21.539) 27.562 1.836 ( -2.242 -12.255 4.846) 13.367 1.913 ( -5.760 -9.485 12.574) 16.771 2.156 ( -11.588 -1.097 10.721) 15.825 2.242 ( -9.901 3.337 9.726) 14.274 2.446 ( -5.734 4.905 3.271) 8.224 2.494 ( -0.922 1.236 -1.722) 2.312 2.682 ( -2.221 2.641 -0.256) 3.460 2.747 ( -2.730 5.230 -1.126) 6.006 2.836 ( -2.963 1.486 -0.157) 3.319 2.918 ( 0.977 7.580 -0.619) 7.668 3.058 ( 0.084 -4.785 -1.408) 4.988 3.264 ( -0.728 4.389 -1.051) 4.571 3.341 ( -1.086 -0.021 -2.422) 2.654 3.451 ( -0.689 -0.512 0.280) 0.903 3.482 ( -0.705 -3.191 -2.206) 3.943 3.768 ( -4.002 -7.226 -1.477) 8.391 3.915 ( 2.067 -1.241 -0.271) 2.426 3.990 ( 2.539 -4.376 1.665) 5.326 4.097 ( 3.323 -1.603 1.132) 3.859 4.154 ( 1.233 -1.249 0.473) 1.818 4.288 ( 3.214 1.561 0.158) 3.577 4.326 ( 0.879 -0.080 -2.737) 2.876 4.462 ( 4.827 -0.301 1.245) 4.994 4.634 ( 2.998 -1.922 0.107) 3.563 4.788 ( 0.549 3.663 -3.352) 4.995 4.842 ( 0.613 3.791 1.220) 4.029 4.967 ( 1.332 0.224 -1.047) 1.709 4.994 ( 0.446 0.632 -0.327) 0.840 5.079 ( 3.086 -0.861 -2.782) 4.243 5.144 ( 1.916 -1.177 -1.615) 2.769 5.225 ( 4.313 0.896 0.310) 4.416 5.266 ( 0.880 -1.925 1.180) 2.423 5.475 ( 0.429 2.758 1.521) 3.178 5.572 ( -2.273 -0.507 2.952) 3.760 5.635 ( -2.789 -4.727 0.343) 5.499 5.749 ( -5.087 -4.379 1.377) 6.852 5.915 ( -3.250 2.329 2.633) 4.787 6.000 ( 0.476 -1.475 0.225) 1.566 6.276 ( 1.728 2.867 1.214) 3.561 6.366 ( -2.008 0.599 -0.405) 2.134 6.483 ( -5.965 -0.568 3.368) 6.874 6.531 ( -1.763 -2.336 1.366) 3.229 6.721 ( -6.418 4.436 -2.625) 8.231 6.872 ( -6.647 -2.836 -0.532) 7.246 7.105 ( -1.915 0.122 -4.484) 4.877 7.216 ( -0.413 -5.231 -2.549) 5.834 7.484 ( 0.251 2.023 -6.512) 6.823 7.646 ( 1.873 -3.625 -0.126) 4.083 8.032 ( -0.807 2.307 -0.990) 2.637 8.131 ( 3.390 6.630 -1.935) 7.694 8.443 ( 3.642 7.157 -7.889) 11.257 8.867 ( 4.219 -3.610 -6.832) 8.804 9.294 ( -3.064 -0.237 -6.620) 7.298 9.374 ( -5.256 -2.319 -3.976) 6.987 9.874 ( 6.316 2.808 6.636) 9.582 10.013 ( 4.135 -2.495 6.538) 8.128 10.414 ( -0.422 2.504 -1.809) 3.118 10.560 ( -2.630 -3.637 0.849) 4.568 11.880 ( -6.992 0.245 3.963) 8.041 11.906 ( -6.208 -0.166 3.579) 7.168 12.334 ( 0.556 1.563 1.758) 2.417 12.381 ( -2.992 -0.338 2.105) 3.674 12.939 ( 0.688 1.831 -0.478) 2.014 13.057 ( 0.806 -3.083 0.621) 3.247 13.843 ( 2.584 7.613 0.315) 8.046 14.083 ( 2.630 -2.465 -0.587) 3.652 14.448 ( -1.053 6.773 3.772) 7.824 14.848 ( 1.885 -8.403 -6.550) 10.820 15.162 ( 4.269 5.183 -9.319) 11.487 15.557 ( 6.558 -12.948 4.970) 15.341 15.948 ( 9.878 4.905 10.954) 15.544 16.200 ( 2.698 -7.689 2.040) 8.400 19.335 ( 1.846 4.820 -0.300) 5.170 19.547 ( 3.067 -4.434 5.360) 7.603 24.694 ( 3.116 2.153 0.258) 3.796 24.822 ( 4.982 -3.780 0.721) 6.295 25.653 ( -0.890 8.641 -0.580) 8.706 25.909 ( -2.774 -3.291 -6.025) 7.404 26.122 ( -1.120 4.526 -0.248) 4.669 26.343 ( 1.612 -4.195 6.441) 7.854 27.121 ( -8.344 1.502 -1.841) 8.675 27.277 ( -19.774 -6.097 -8.551) 22.390 28.720 ( -3.644 3.736 -5.447) 7.544 28.872 ( -2.096 -4.639 0.182) 5.094 29.349 ( 4.751 17.252 -2.352) 18.048 29.855 ( 7.967 -6.006 -1.526) 10.093 31.366 ( 2.873 5.153 6.516) 8.790 31.696 ( 9.964 -8.567 4.139) 13.777 ======================= Grid point 125 (69/108) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -1.044 -14.367 9.418) 17.210 1.458 ( -1.044 14.367 9.418) 17.210 1.621 ( -2.002 -12.082 14.994) 19.360 1.621 ( -2.002 12.082 14.994) 19.360 2.211 ( 0.525 -6.145 8.703) 10.666 2.211 ( 0.525 6.145 8.703) 10.666 2.432 ( -0.601 -1.274 -2.331) 2.724 2.432 ( -0.601 1.274 -2.331) 2.724 2.764 ( -1.700 -3.135 -3.041) 4.686 2.764 ( -1.700 3.135 -3.041) 4.686 2.940 ( 2.209 -8.473 3.077) 9.281 2.940 ( 2.209 8.473 3.077) 9.281 3.175 ( -0.701 -10.097 7.262) 12.457 3.175 ( -0.701 10.097 7.262) 12.457 3.310 ( 0.054 -5.222 1.088) 5.334 3.310 ( 0.054 5.222 1.088) 5.334 3.573 ( 0.247 -5.786 -4.899) 7.585 3.573 ( 0.247 5.786 -4.899) 7.585 3.933 ( 0.282 -4.178 -1.324) 4.392 3.933 ( 0.282 4.178 -1.324) 4.392 4.082 ( -3.395 -2.845 -3.287) 5.516 4.082 ( -3.395 2.845 -3.287) 5.516 4.355 ( 2.866 -3.021 -0.401) 4.183 4.355 ( 2.866 3.021 -0.401) 4.183 4.646 ( 4.885 -3.952 -0.683) 6.320 4.646 ( 4.885 3.952 -0.683) 6.320 4.857 ( -0.701 -3.578 -0.295) 3.658 4.857 ( -0.701 3.578 -0.295) 3.658 4.943 ( -0.861 -3.872 0.737) 4.035 4.943 ( -0.861 3.872 0.737) 4.035 5.187 ( 2.277 -2.940 -1.369) 3.962 5.187 ( 2.277 2.940 -1.369) 3.962 5.302 ( 0.755 -1.500 0.218) 1.693 5.302 ( 0.755 1.500 0.218) 1.693 5.433 ( -7.517 -3.241 1.157) 8.267 5.433 ( -7.517 3.241 1.157) 8.267 5.612 ( -1.176 -2.216 3.522) 4.324 5.612 ( -1.176 2.216 3.522) 4.324 5.845 ( -6.526 -4.120 0.997) 7.782 5.845 ( -6.526 4.120 0.997) 7.782 6.385 ( 4.354 -1.521 1.227) 4.772 6.385 ( 4.354 1.521 1.227) 4.772 6.503 ( 3.747 -3.825 1.699) 5.618 6.503 ( 3.747 3.825 1.699) 5.618 6.789 ( 3.284 -3.622 1.029) 4.997 6.789 ( 3.284 3.622 1.029) 4.997 7.092 ( -1.740 -3.688 -4.886) 6.364 7.092 ( -1.740 3.688 -4.886) 6.364 7.516 ( -2.504 -5.683 -4.048) 7.413 7.516 ( -2.504 5.683 -4.048) 7.413 8.143 ( 1.027 -6.370 2.302) 6.851 8.143 ( 1.027 6.370 2.302) 6.851 8.681 ( -0.011 -12.520 -10.330) 16.232 8.681 ( -0.011 12.520 -10.330) 16.232 9.207 ( -2.655 -2.294 -4.510) 5.714 9.207 ( -2.655 2.294 -4.510) 5.714 10.083 ( 4.157 -1.701 4.465) 6.333 10.083 ( 4.157 1.701 4.465) 6.333 10.485 ( 2.260 -3.427 0.126) 4.107 10.485 ( 2.260 3.427 0.126) 4.107 11.774 ( -5.290 -1.358 2.892) 6.180 11.774 ( -5.290 1.358 2.892) 6.180 12.407 ( 2.014 -1.785 1.979) 3.341 12.407 ( 2.014 1.785 1.979) 3.341 13.023 ( 2.199 -3.138 1.062) 3.976 13.023 ( 2.199 3.138 1.062) 3.976 14.030 ( 1.604 -5.907 -2.162) 6.491 14.030 ( 1.604 5.907 -2.162) 6.491 14.612 ( -3.587 -9.215 1.470) 9.997 14.612 ( -3.587 9.215 1.470) 9.997 15.307 ( -1.966 -11.068 -4.694) 12.182 15.307 ( -1.966 11.068 -4.694) 12.182 16.168 ( 1.171 -1.715 7.483) 7.765 16.168 ( 1.171 1.715 7.483) 7.765 19.476 ( -0.652 -6.480 2.155) 6.859 19.476 ( -0.652 6.480 2.155) 6.859 24.788 ( -0.088 -3.362 0.514) 3.402 24.788 ( -0.088 3.362 0.514) 3.402 25.733 ( -3.350 -4.690 -4.386) 7.242 25.733 ( -3.350 4.690 -4.386) 7.242 26.293 ( 3.624 -6.274 2.567) 7.687 26.293 ( 3.624 6.274 2.567) 7.687 27.043 ( -0.049 -0.219 -1.172) 1.193 27.043 ( -0.049 0.219 -1.172) 1.193 28.703 ( -3.423 -4.531 -2.891) 6.372 28.703 ( -3.423 4.531 -2.891) 6.372 29.745 ( 4.210 -14.529 -4.595) 15.809 29.745 ( 4.210 14.529 -4.595) 15.809 31.598 ( 0.037 -9.662 4.595) 10.699 31.598 ( 0.037 9.662 4.595) 10.699 ======================= Grid point 127 (70/108) ======================= q-point: ( 0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 6.771 -12.392 6.339) 15.479 1.566 ( 6.771 12.392 6.339) 15.479 1.733 ( 3.381 -9.533 14.669) 17.818 1.733 ( 3.381 9.533 14.669) 17.818 2.313 ( 4.245 -4.781 2.823) 6.989 2.313 ( 4.245 4.781 2.823) 6.989 2.467 ( 6.481 -3.361 -0.615) 7.327 2.467 ( 6.481 3.361 -0.615) 7.327 2.741 ( 0.940 -3.335 -1.228) 3.676 2.741 ( 0.940 3.335 -1.228) 3.676 2.987 ( 0.522 -4.500 0.286) 4.540 2.987 ( 0.522 4.500 0.286) 4.540 3.193 ( 0.776 -6.868 1.731) 7.125 3.193 ( 0.776 6.868 1.731) 7.125 3.396 ( 3.939 -8.016 8.016) 12.001 3.396 ( 3.939 8.016 8.016) 12.001 3.564 ( 1.418 -5.547 -2.398) 6.207 3.564 ( 1.418 5.547 -2.398) 6.207 3.911 ( -1.320 -4.536 -0.655) 4.769 3.911 ( -1.320 4.536 -0.655) 4.769 4.005 ( -1.325 -4.629 -2.221) 5.303 4.005 ( -1.325 4.629 -2.221) 5.303 4.374 ( 0.040 -5.325 -3.229) 6.228 4.374 ( 0.040 5.325 -3.229) 6.228 4.664 ( -1.957 -5.850 -2.319) 6.590 4.664 ( -1.957 5.850 -2.319) 6.590 4.823 ( -1.702 -1.526 -0.695) 2.389 4.823 ( -1.702 1.526 -0.695) 2.389 4.985 ( 2.233 -4.807 0.440) 5.319 4.985 ( 2.233 4.807 0.440) 5.319 5.088 ( -8.861 -5.088 1.199) 10.288 5.088 ( -8.861 5.088 1.199) 10.288 5.286 ( -2.333 -3.443 0.234) 4.166 5.286 ( -2.333 3.443 0.234) 4.166 5.389 ( 0.487 -2.691 3.629) 4.544 5.389 ( 0.487 2.691 3.629) 4.544 5.623 ( -1.971 -1.439 5.106) 5.659 5.623 ( -1.971 1.439 5.106) 5.659 5.816 ( 3.346 -2.560 0.789) 4.286 5.816 ( 3.346 2.560 0.789) 4.286 6.453 ( 2.065 -6.160 -0.644) 6.529 6.453 ( 2.065 6.160 -0.644) 6.529 6.612 ( 5.908 -4.303 0.354) 7.318 6.612 ( 5.908 4.303 0.354) 7.318 6.893 ( 5.563 -4.920 -3.734) 8.313 6.893 ( 5.563 4.920 -3.734) 8.313 7.028 ( 0.113 -2.366 -3.024) 3.842 7.028 ( 0.113 2.366 -3.024) 3.842 7.447 ( -1.825 -5.590 -1.908) 6.182 7.447 ( -1.825 5.590 -1.908) 6.182 8.161 ( -0.657 -7.189 1.199) 7.318 8.161 ( -0.657 7.189 1.199) 7.318 8.567 ( -5.099 -12.149 -7.442) 15.132 8.567 ( -5.099 12.149 -7.442) 15.132 9.184 ( 2.055 -4.561 -1.879) 5.344 9.184 ( 2.055 4.561 -1.879) 5.344 10.127 ( -1.945 -1.953 1.452) 3.116 10.127 ( -1.945 1.953 1.452) 3.116 10.551 ( 5.083 -3.173 -1.140) 6.099 10.551 ( 5.083 3.173 -1.140) 6.099 11.795 ( 4.846 -0.238 5.075) 7.021 11.795 ( 4.846 0.238 5.075) 7.021 12.426 ( -0.827 -3.314 0.541) 3.459 12.426 ( -0.827 3.314 0.541) 3.459 13.079 ( 3.263 -2.826 -0.102) 4.317 13.079 ( 3.263 2.826 -0.102) 4.317 14.011 ( -1.993 -5.814 -2.947) 6.816 14.011 ( -1.993 5.814 -2.947) 6.816 14.546 ( -4.390 -6.966 2.375) 8.569 14.546 ( -4.390 6.966 2.375) 8.569 15.199 ( -6.299 -9.715 -2.577) 11.861 15.199 ( -6.299 9.715 -2.577) 11.861 16.190 ( -3.344 -3.715 5.978) 7.792 16.190 ( -3.344 3.715 5.978) 7.792 19.444 ( -3.685 -6.608 1.593) 7.732 19.444 ( -3.685 6.608 1.593) 7.732 24.756 ( -3.313 -2.641 0.374) 4.253 24.756 ( -3.313 2.641 0.374) 4.253 25.658 ( -2.464 -5.152 -1.085) 5.813 25.658 ( -2.464 5.152 -1.085) 5.813 26.417 ( 8.216 -6.931 1.180) 10.813 26.417 ( 8.216 6.931 1.180) 10.813 27.111 ( 7.044 -0.997 -2.547) 7.556 27.111 ( 7.044 0.997 -2.547) 7.556 28.643 ( -1.695 -5.298 -0.407) 5.577 28.643 ( -1.695 5.298 -0.407) 5.577 29.757 ( 0.696 -15.075 -5.514) 16.067 29.757 ( 0.696 15.075 -5.514) 16.067 31.572 ( -5.308 -7.555 4.024) 10.072 31.572 ( -5.308 7.555 4.024) 10.072 ======================= Grid point 129 (71/108) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 8.949 -6.903 3.625) 11.869 1.756 ( 8.949 6.903 3.625) 11.869 1.909 ( 6.522 -7.534 11.005) 14.846 1.909 ( 6.522 7.534 11.005) 14.846 2.392 ( 4.181 -1.224 -1.649) 4.658 2.392 ( 4.181 1.224 -1.649) 4.658 2.629 ( 8.745 -2.027 -2.128) 9.225 2.629 ( 8.745 2.027 -2.128) 9.225 2.777 ( 2.549 -3.113 3.391) 5.262 2.777 ( 2.549 3.113 3.391) 5.262 2.984 ( 0.196 -3.133 -0.264) 3.151 2.984 ( 0.196 3.133 -0.264) 3.151 3.227 ( 2.236 -6.536 -1.249) 7.020 3.227 ( 2.236 6.536 -1.249) 7.020 3.474 ( 0.542 -3.073 0.820) 3.227 3.474 ( 0.542 3.073 0.820) 3.227 3.586 ( 1.075 -4.977 1.179) 5.227 3.586 ( 1.075 4.977 1.179) 5.227 3.885 ( -1.978 -4.501 0.962) 5.010 3.885 ( -1.978 4.501 0.962) 5.010 4.053 ( 5.749 -3.468 1.667) 6.918 4.053 ( 5.749 3.468 1.667) 6.918 4.337 ( -0.867 -5.369 -2.319) 5.913 4.337 ( -0.867 5.369 -2.319) 5.913 4.574 ( -5.049 -5.764 -0.954) 7.722 4.574 ( -5.049 5.764 -0.954) 7.722 4.790 ( -2.061 -4.062 -0.324) 4.566 4.790 ( -2.061 4.062 -0.324) 4.566 4.933 ( -5.049 -5.326 -2.042) 7.618 4.933 ( -5.049 5.326 -2.042) 7.618 5.007 ( -2.347 -2.004 1.974) 3.664 5.007 ( -2.347 2.004 1.974) 3.664 5.243 ( -2.311 -3.486 0.694) 4.239 5.243 ( -2.311 3.486 0.694) 4.239 5.435 ( -0.182 -2.216 5.079) 5.544 5.435 ( -0.182 2.216 5.079) 5.544 5.606 ( -1.302 -2.479 3.869) 4.776 5.606 ( -1.302 2.479 3.869) 4.776 5.938 ( 7.417 -2.604 0.620) 7.885 5.938 ( 7.417 2.604 0.620) 7.885 6.465 ( -0.158 -6.098 -2.156) 6.470 6.465 ( -0.158 6.098 -2.156) 6.470 6.679 ( 1.550 -5.237 -1.976) 5.808 6.679 ( 1.550 5.237 -1.976) 5.808 6.883 ( 0.044 -4.615 -3.180) 5.604 6.883 ( 0.044 4.615 -3.180) 5.604 7.107 ( 5.879 -2.454 -1.493) 6.543 7.107 ( 5.879 2.454 -1.493) 6.543 7.454 ( 3.174 -5.446 -0.208) 6.306 7.454 ( 3.174 5.446 -0.208) 6.306 8.132 ( -2.272 -6.042 -0.510) 6.475 8.132 ( -2.272 6.042 -0.510) 6.475 8.436 ( -4.479 -11.903 -3.576) 13.211 8.436 ( -4.479 11.903 -3.576) 13.211 9.242 ( 4.516 -4.983 0.055) 6.725 9.242 ( 4.516 4.983 0.055) 6.725 10.041 ( -6.690 -3.286 -0.191) 7.456 10.041 ( -6.690 3.286 -0.191) 7.456 10.655 ( 6.779 -1.808 -2.397) 7.414 10.655 ( 6.779 1.808 -2.397) 7.414 11.973 ( 8.227 -2.252 6.058) 10.462 11.973 ( 8.227 2.252 6.058) 10.462 12.409 ( 0.175 -5.000 -0.033) 5.004 12.409 ( 0.175 5.000 -0.033) 5.004 13.139 ( 3.936 -2.130 -2.651) 5.202 13.139 ( 3.936 2.130 -2.651) 5.202 13.934 ( -3.733 -5.342 -2.253) 6.895 13.934 ( -3.733 5.342 -2.253) 6.895 14.477 ( -4.707 -5.331 2.038) 7.398 14.477 ( -4.707 5.331 2.038) 7.398 15.059 ( -7.782 -8.636 0.888) 11.659 15.059 ( -7.782 8.636 0.888) 11.659 16.124 ( -6.514 -5.428 3.036) 9.006 16.124 ( -6.514 5.428 3.036) 9.006 19.374 ( -4.217 -5.814 1.098) 7.266 19.374 ( -4.217 5.814 1.098) 7.266 24.685 ( -4.014 -1.901 -0.001) 4.441 24.685 ( -4.014 1.901 -0.001) 4.441 25.622 ( -1.765 -5.094 1.679) 5.646 25.622 ( -1.765 5.094 1.679) 5.646 26.588 ( 9.193 -7.355 -2.149) 11.968 26.588 ( 9.193 7.355 -2.149) 11.968 27.248 ( 8.979 -1.129 -1.569) 9.185 27.248 ( 8.979 1.129 -1.569) 9.185 28.638 ( 0.492 -6.426 2.356) 6.862 28.638 ( 0.492 6.426 2.356) 6.862 29.714 ( -1.123 -13.495 -5.634) 14.667 29.714 ( -1.123 13.495 -5.634) 14.667 31.470 ( -7.372 -4.752 2.891) 9.235 31.470 ( -7.372 4.752 2.891) 9.235 ======================= Grid point 131 (72/108) ======================= q-point: ( 0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 7.256 -3.355 1.625) 8.158 1.926 ( 7.256 3.355 1.625) 8.158 2.106 ( 7.930 -7.007 5.770) 12.053 2.106 ( 7.930 7.007 5.770) 12.053 2.447 ( 3.146 -1.659 -2.678) 4.452 2.447 ( 3.146 1.659 -2.678) 4.452 2.692 ( 1.194 -4.245 -2.102) 4.885 2.692 ( 1.194 4.245 -2.102) 4.885 2.894 ( 5.294 -3.850 1.970) 6.837 2.894 ( 5.294 3.850 1.970) 6.837 3.014 ( 3.079 -3.320 1.724) 4.845 3.014 ( 3.079 3.320 1.724) 4.845 3.235 ( -0.568 -6.505 -3.192) 7.268 3.235 ( -0.568 6.505 -3.192) 7.268 3.460 ( -0.750 -3.198 0.326) 3.301 3.460 ( -0.750 3.198 0.326) 3.301 3.620 ( 0.910 -4.297 0.883) 4.480 3.620 ( 0.910 4.297 0.883) 4.480 3.855 ( -0.991 -4.124 -0.039) 4.242 3.855 ( -0.991 4.124 -0.039) 4.242 4.107 ( -1.030 -2.819 0.342) 3.020 4.107 ( -1.030 2.819 0.342) 3.020 4.365 ( 2.556 -2.444 0.825) 3.632 4.365 ( 2.556 2.444 0.825) 3.632 4.492 ( -3.786 -3.339 0.639) 5.089 4.492 ( -3.786 3.339 0.639) 5.089 4.722 ( -4.566 -4.166 -0.900) 6.246 4.722 ( -4.566 4.166 -0.900) 6.246 4.856 ( -0.679 -4.857 -3.629) 6.101 4.856 ( -0.679 4.857 -3.629) 6.101 4.975 ( -2.448 -2.181 2.175) 3.934 4.975 ( -2.448 2.181 2.175) 3.934 5.206 ( -1.340 -4.407 -0.594) 4.644 5.206 ( -1.340 4.407 -0.594) 4.644 5.427 ( -3.960 -2.826 7.874) 9.255 5.427 ( -3.960 2.826 7.874) 9.255 5.652 ( 3.963 -3.490 0.899) 5.357 5.652 ( 3.963 3.490 0.899) 5.357 6.055 ( 3.827 -5.214 -0.806) 6.518 6.055 ( 3.827 5.214 -0.806) 6.518 6.420 ( -1.340 -3.293 -3.284) 4.840 6.420 ( -1.340 3.293 -3.284) 4.840 6.682 ( 0.251 -3.053 0.076) 3.065 6.682 ( 0.251 3.053 0.076) 3.065 6.912 ( 3.052 -3.184 1.541) 4.672 6.912 ( 3.052 3.184 1.541) 4.672 7.184 ( 2.711 -3.269 0.208) 4.252 7.184 ( 2.711 3.269 0.208) 4.252 7.518 ( 3.426 -3.661 -2.251) 5.496 7.518 ( 3.426 3.661 -2.251) 5.496 8.095 ( -0.809 -3.823 -0.378) 3.926 8.095 ( -0.809 3.823 -0.378) 3.926 8.359 ( -1.971 -10.400 -1.899) 10.754 8.359 ( -1.971 10.400 -1.899) 10.754 9.346 ( 5.699 -4.243 1.752) 7.318 9.346 ( 5.699 4.243 1.752) 7.318 9.907 ( -6.449 -2.641 -1.205) 7.072 9.907 ( -6.449 2.641 -1.205) 7.072 10.756 ( 5.400 -0.751 -2.886) 6.169 10.756 ( 5.400 0.751 -2.886) 6.169 12.085 ( -0.300 -3.983 2.393) 4.656 12.085 ( -0.300 3.983 2.393) 4.656 12.492 ( 7.719 -2.997 3.354) 8.934 12.492 ( 7.719 2.997 3.354) 8.934 13.191 ( 4.438 -1.545 -5.379) 7.143 13.191 ( 4.438 1.545 -5.379) 7.143 13.869 ( -1.861 -5.387 -0.278) 5.706 13.869 ( -1.861 5.387 -0.278) 5.706 14.393 ( -5.254 -3.883 1.271) 6.656 14.393 ( -5.254 3.883 1.271) 6.656 14.926 ( -7.502 -7.391 2.845) 10.909 14.926 ( -7.502 7.391 2.845) 10.909 15.998 ( -7.538 -6.287 0.179) 9.818 15.998 ( -7.538 6.287 0.179) 9.818 19.312 ( -2.884 -4.759 0.889) 5.635 19.312 ( -2.884 4.759 0.889) 5.635 24.614 ( -3.218 -1.401 -0.418) 3.535 24.614 ( -3.218 1.401 -0.418) 3.535 25.606 ( -1.634 -4.439 3.202) 5.712 25.606 ( -1.634 4.439 3.202) 5.712 26.698 ( 5.413 -5.835 -7.922) 11.230 26.698 ( 5.413 5.835 -7.922) 11.230 27.432 ( 9.724 -2.231 3.645) 10.622 27.432 ( 9.724 2.231 3.645) 10.622 28.681 ( 1.473 -7.230 4.192) 8.486 28.681 ( 1.473 7.230 4.192) 8.486 29.657 ( -0.928 -10.833 -5.518) 12.193 29.657 ( -0.928 10.833 -5.518) 12.193 31.347 ( -6.877 -2.622 1.310) 7.475 31.347 ( -6.877 2.622 1.310) 7.475 ======================= Grid point 133 (73/108) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 3.054 -3.496 -1.138) 4.780 2.030 ( 3.054 3.496 -1.138) 4.780 2.258 ( 5.009 -5.209 3.271) 7.933 2.258 ( 5.009 5.209 3.271) 7.933 2.471 ( 1.107 -2.293 -2.024) 3.253 2.471 ( 1.107 2.293 -2.024) 3.253 2.720 ( 2.108 -4.708 1.162) 5.288 2.720 ( 2.108 4.708 1.162) 5.288 2.935 ( 0.327 -5.620 -1.794) 5.908 2.935 ( 0.327 5.620 -1.794) 5.908 3.102 ( 3.420 -3.042 -0.558) 4.611 3.102 ( 3.420 3.042 -0.558) 4.611 3.192 ( -1.162 -5.294 -1.228) 5.558 3.192 ( -1.162 5.294 -1.228) 5.558 3.455 ( -0.070 -1.226 -1.027) 1.601 3.455 ( -0.070 1.226 -1.027) 1.601 3.617 ( -1.187 -5.556 2.133) 6.068 3.617 ( -1.187 5.556 2.133) 6.068 3.867 ( 2.423 -1.325 -1.162) 2.996 3.867 ( 2.423 1.325 -1.162) 2.996 4.084 ( -1.834 -2.274 1.542) 3.304 4.084 ( -1.834 2.274 1.542) 3.304 4.328 ( -6.125 -1.783 -2.673) 6.917 4.328 ( -6.125 1.783 -2.673) 6.917 4.418 ( -3.956 -1.504 0.472) 4.258 4.418 ( -3.956 1.504 0.472) 4.258 4.669 ( 0.542 -2.725 -3.093) 4.157 4.669 ( 0.542 2.725 -3.093) 4.157 4.846 ( 0.794 -3.867 -1.323) 4.163 4.846 ( 0.794 3.867 -1.323) 4.163 4.953 ( -0.875 -3.280 2.721) 4.351 4.953 ( -0.875 3.280 2.721) 4.351 5.177 ( -2.272 -5.019 1.164) 5.631 5.177 ( -2.272 5.019 1.164) 5.631 5.419 ( -2.211 -2.789 7.102) 7.944 5.419 ( -2.211 2.789 7.102) 7.944 5.731 ( 3.365 -2.049 -0.653) 3.993 5.731 ( 3.365 2.049 -0.653) 3.993 6.060 ( -0.546 -1.438 -2.387) 2.839 6.060 ( -0.546 1.438 -2.387) 2.839 6.413 ( 0.916 -3.048 -0.714) 3.261 6.413 ( 0.916 3.048 -0.714) 3.261 6.697 ( 1.577 -2.397 0.381) 2.895 6.697 ( 1.577 2.397 0.381) 2.895 7.004 ( 4.146 -2.042 4.434) 6.404 7.004 ( 4.146 2.042 4.434) 6.404 7.202 ( -1.229 -1.978 1.782) 2.933 7.202 ( -1.229 1.978 1.782) 2.933 7.552 ( 2.371 -1.908 -3.417) 4.576 7.552 ( 2.371 1.908 -3.417) 4.576 8.099 ( 1.065 -2.908 0.197) 3.104 8.099 ( 1.065 2.908 0.197) 3.104 8.331 ( 0.095 -8.173 -1.987) 8.411 8.331 ( 0.095 8.173 -1.987) 8.411 9.464 ( 4.735 -3.036 2.890) 6.324 9.464 ( 4.735 3.036 2.890) 6.324 9.797 ( -4.166 -0.997 -1.848) 4.665 9.797 ( -4.166 0.997 -1.848) 4.665 10.812 ( 2.515 -1.332 -3.283) 4.345 10.812 ( 2.515 1.332 -3.283) 4.345 12.036 ( -4.375 -6.289 -0.027) 7.661 12.036 ( -4.375 6.289 -0.027) 7.661 12.665 ( 5.830 -1.511 5.250) 7.989 12.665 ( 5.830 1.511 5.250) 7.989 13.250 ( 6.009 -2.499 -6.380) 9.113 13.250 ( 6.009 2.499 -6.380) 9.113 13.861 ( 0.373 -6.197 1.216) 6.326 13.861 ( 0.373 6.197 1.216) 6.326 14.304 ( -4.819 -2.632 1.406) 5.668 14.304 ( -4.819 2.632 1.406) 5.668 14.828 ( -4.178 -4.955 2.573) 6.973 14.828 ( -4.178 4.955 2.573) 6.973 15.859 ( -6.507 -7.086 -1.516) 9.739 15.859 ( -6.507 7.086 -1.516) 9.739 19.281 ( -1.048 -3.869 0.927) 4.114 19.281 ( -1.048 3.869 0.927) 4.114 24.562 ( -1.849 -0.966 -0.683) 2.195 24.562 ( -1.849 0.966 -0.683) 2.195 25.603 ( -1.035 -4.001 3.899) 5.682 25.603 ( -1.035 4.001 3.899) 5.682 26.695 ( 1.054 -3.530 -10.863) 11.471 26.695 ( 1.054 3.530 -10.863) 11.471 27.640 ( 8.177 -2.535 6.927) 11.013 27.640 ( 8.177 2.535 6.927) 11.013 28.732 ( 0.581 -6.899 4.771) 8.408 28.732 ( 0.581 6.899 4.771) 8.408 29.616 ( 0.313 -8.092 -5.362) 9.712 29.616 ( 0.313 8.092 -5.362) 9.712 31.239 ( -4.885 -1.142 0.187) 5.020 31.239 ( -4.885 1.142 0.187) 5.020 ======================= Grid point 135 (74/108) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -2.333 -1.346 -1.355) 3.015 2.025 ( -2.333 1.346 -1.355) 3.015 2.318 ( -0.227 -4.744 0.786) 4.814 2.318 ( -0.227 4.744 0.786) 4.814 2.483 ( 0.279 -2.106 1.752) 2.754 2.483 ( 0.279 2.106 1.752) 2.754 2.716 ( -4.477 -0.880 -0.107) 4.564 2.716 ( -4.477 0.880 -0.107) 4.564 2.916 ( -2.359 -7.788 -1.023) 8.202 2.916 ( -2.359 7.788 -1.023) 8.202 3.114 ( 1.665 -2.307 -2.461) 3.762 3.114 ( 1.665 2.307 -2.461) 3.762 3.191 ( 0.938 -3.725 -0.319) 3.855 3.191 ( 0.938 3.725 -0.319) 3.855 3.453 ( 1.601 -2.764 -4.432) 5.463 3.453 ( 1.601 2.764 -4.432) 5.463 3.632 ( 1.197 -5.270 1.794) 5.695 3.632 ( 1.197 5.270 1.794) 5.695 3.905 ( 1.509 -0.652 -0.554) 1.735 3.905 ( 1.509 0.652 -0.554) 1.735 4.045 ( -1.994 -1.459 -0.470) 2.515 4.045 ( -1.994 1.459 -0.470) 2.515 4.212 ( -3.404 -1.759 -0.413) 3.854 4.212 ( -3.404 1.759 -0.413) 3.854 4.368 ( -1.174 -1.812 1.077) 2.413 4.368 ( -1.174 1.812 1.077) 2.413 4.660 ( 0.521 -3.346 -3.821) 5.106 4.660 ( 0.521 3.346 -3.821) 5.106 4.852 ( -0.209 -4.869 0.074) 4.874 4.852 ( -0.209 4.869 0.074) 4.874 4.989 ( 2.105 -4.314 3.903) 6.187 4.989 ( 2.105 4.314 3.903) 6.187 5.150 ( -1.147 -3.786 2.109) 4.483 5.150 ( -1.147 3.786 2.109) 4.483 5.406 ( -3.946 -3.413 6.450) 8.296 5.406 ( -3.946 3.413 6.450) 8.296 5.755 ( 0.843 -1.264 -2.807) 3.192 5.755 ( 0.843 1.264 -2.807) 3.192 6.039 ( -1.315 -2.763 -0.855) 3.177 6.039 ( -1.315 2.763 -0.855) 3.177 6.417 ( 0.519 -2.949 -0.352) 3.015 6.417 ( 0.519 2.949 -0.352) 3.015 6.740 ( 0.974 -3.563 1.169) 3.875 6.740 ( 0.974 3.563 1.169) 3.875 7.073 ( 0.965 -1.511 2.285) 2.904 7.073 ( 0.965 1.511 2.285) 2.904 7.216 ( 1.757 -2.082 2.793) 3.902 7.216 ( 1.757 2.082 2.793) 3.902 7.562 ( 0.821 -0.980 -3.307) 3.545 7.562 ( 0.821 0.980 -3.307) 3.545 8.127 ( 1.308 -3.030 0.606) 3.356 8.127 ( 1.308 3.030 0.606) 3.356 8.334 ( 1.885 -7.101 -2.373) 7.721 8.334 ( 1.885 7.101 -2.373) 7.721 9.547 ( 1.804 -1.593 3.860) 4.548 9.547 ( 1.804 1.593 3.860) 4.548 9.729 ( -1.593 -0.958 -2.900) 3.445 9.729 ( -1.593 0.958 -2.900) 3.445 10.808 ( -0.580 -2.454 -3.558) 4.361 10.808 ( -0.580 2.454 -3.558) 4.361 11.947 ( -4.943 -8.340 0.848) 9.732 11.947 ( -4.943 8.340 0.848) 9.732 12.753 ( 0.583 -3.288 4.461) 5.572 12.753 ( 0.583 3.288 4.461) 5.572 13.310 ( 3.359 -3.895 -6.432) 8.236 13.310 ( 3.359 3.895 -6.432) 8.236 13.890 ( 1.840 -6.418 1.316) 6.805 13.890 ( 1.840 6.418 1.316) 6.805 14.240 ( -3.073 -1.834 2.978) 4.655 14.240 ( -3.073 1.834 2.978) 4.655 14.824 ( 2.958 -1.935 0.849) 3.635 14.824 ( 2.958 1.935 0.849) 3.635 15.748 ( -3.922 -8.191 -1.417) 9.191 15.748 ( -3.922 8.191 -1.417) 9.191 19.282 ( 0.395 -3.234 0.877) 3.374 19.282 ( 0.395 3.234 0.877) 3.374 24.538 ( -0.219 -0.629 -0.707) 0.972 24.538 ( -0.219 0.629 -0.707) 0.972 25.620 ( 0.153 -4.144 4.174) 5.883 25.620 ( 0.153 4.144 4.174) 5.883 26.615 ( -2.130 -1.789 -10.193) 10.566 26.615 ( -2.130 1.789 -10.193) 10.566 27.800 ( 3.852 -1.418 6.166) 7.407 27.800 ( 3.852 1.418 6.166) 7.407 28.762 ( -0.425 -5.463 4.943) 7.379 28.762 ( -0.425 5.463 4.943) 7.379 29.597 ( 1.185 -6.901 -5.550) 8.935 29.597 ( 1.185 6.901 -5.550) 8.935 31.173 ( -2.088 -0.157 0.137) 2.098 31.173 ( -2.088 0.157 0.137) 2.098 ======================= Grid point 137 (75/108) ======================= q-point: (-0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -6.907 -4.000 0.333) 7.989 1.934 ( -6.907 4.000 0.333) 7.989 2.263 ( -6.532 -6.131 -0.290) 8.963 2.263 ( -6.532 6.131 -0.290) 8.963 2.462 ( -6.258 -4.142 1.116) 7.587 2.462 ( -6.258 4.142 1.116) 7.587 2.589 ( -4.669 -4.628 2.229) 6.942 2.589 ( -4.669 4.628 2.229) 6.942 2.851 ( -3.248 -6.106 0.723) 6.954 2.851 ( -3.248 6.106 0.723) 6.954 3.127 ( -0.318 -0.740 -1.670) 1.854 3.127 ( -0.318 0.740 -1.670) 1.854 3.234 ( 4.152 -6.888 -1.863) 8.256 3.234 ( 4.152 6.888 -1.863) 8.256 3.452 ( 1.424 -4.500 -4.262) 6.359 3.452 ( 1.424 4.500 -4.262) 6.359 3.655 ( 0.410 -4.504 -2.384) 5.112 3.655 ( 0.410 4.504 -2.384) 5.112 3.902 ( -1.977 -1.810 2.197) 3.466 3.902 ( -1.977 1.810 2.197) 3.466 4.033 ( -0.085 -4.050 0.275) 4.061 4.033 ( -0.085 4.050 0.275) 4.061 4.190 ( 0.867 -2.866 1.160) 3.211 4.190 ( 0.867 2.866 1.160) 3.211 4.413 ( 4.149 -2.216 2.799) 5.473 4.413 ( 4.149 2.216 2.799) 5.473 4.649 ( 1.312 -3.751 -2.827) 4.877 4.649 ( 1.312 3.751 -2.827) 4.877 4.840 ( -0.357 -4.852 -1.232) 5.019 4.840 ( -0.357 4.852 -1.232) 5.019 5.039 ( -0.396 -4.508 3.158) 5.518 5.039 ( -0.396 4.508 3.158) 5.518 5.178 ( 3.092 -3.039 1.828) 4.705 5.178 ( 3.092 3.039 1.828) 4.705 5.378 ( -2.702 -2.708 7.136) 8.097 5.378 ( -2.702 2.708 7.136) 8.097 5.742 ( -0.204 -0.902 -2.594) 2.754 5.742 ( -0.204 0.902 -2.594) 2.754 5.982 ( -3.945 -3.951 -0.340) 5.593 5.982 ( -3.945 3.951 -0.340) 5.593 6.436 ( 0.661 -3.284 0.132) 3.352 6.436 ( 0.661 3.284 0.132) 3.352 6.717 ( -2.785 -3.381 0.357) 4.395 6.717 ( -2.785 3.381 0.357) 4.395 7.111 ( 0.466 -1.572 0.124) 1.644 7.111 ( 0.466 1.572 0.124) 1.644 7.262 ( 2.409 -2.474 1.850) 3.918 7.262 ( 2.409 2.474 1.850) 3.918 7.538 ( -1.391 -2.810 -3.240) 4.509 7.538 ( -1.391 2.810 -3.240) 4.509 8.144 ( 0.057 -1.787 0.044) 1.788 8.144 ( 0.057 1.787 0.044) 1.788 8.383 ( 5.269 -7.682 -2.642) 9.682 8.383 ( 5.269 7.682 -2.642) 9.682 9.581 ( -1.261 -0.322 4.416) 4.604 9.581 ( -1.261 0.322 4.416) 4.604 9.696 ( 0.741 -2.294 -4.035) 4.700 9.696 ( 0.741 2.294 -4.035) 4.700 10.751 ( -3.019 -3.174 -3.103) 5.368 10.751 ( -3.019 3.174 -3.103) 5.368 11.872 ( -4.099 -8.814 3.147) 10.218 11.872 ( -4.099 8.814 3.147) 10.218 12.757 ( -3.034 -4.088 4.226) 6.617 12.757 ( -3.034 4.088 4.226) 6.617 13.260 ( -3.711 -2.905 -7.842) 9.149 13.260 ( -3.711 2.905 -7.842) 9.149 13.931 ( 1.095 -6.512 0.493) 6.622 13.931 ( 1.095 6.512 0.493) 6.622 14.258 ( 3.003 -1.736 5.214) 6.263 14.258 ( 3.003 1.736 5.214) 6.263 14.937 ( 8.566 -0.848 -1.871) 8.809 14.937 ( 8.566 0.848 -1.871) 8.809 15.705 ( -0.235 -9.406 1.047) 9.467 15.705 ( -0.235 9.406 1.047) 9.467 19.303 ( 1.266 -2.955 0.609) 3.272 19.303 ( 1.266 2.955 0.609) 3.272 24.547 ( 1.566 -0.824 -0.496) 1.838 24.547 ( 1.566 0.824 -0.496) 1.838 25.664 ( 1.693 -5.001 4.147) 6.714 25.664 ( 1.693 5.001 4.147) 6.714 26.494 ( -4.444 -0.875 -7.661) 8.900 26.494 ( -4.444 0.875 -7.661) 8.900 27.842 ( -2.670 -4.931 2.465) 6.125 27.842 ( -2.670 4.931 2.465) 6.125 28.791 ( 0.163 -3.395 5.525) 6.487 28.791 ( 0.163 3.395 5.525) 6.487 29.583 ( 1.234 -7.913 -6.508) 10.320 29.583 ( 1.234 7.913 -6.508) 10.320 31.167 ( 1.035 -1.023 1.368) 1.998 31.167 ( 1.035 1.023 1.368) 1.998 ======================= Grid point 139 (76/108) ======================= q-point: (-0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -10.395 -8.320 2.711) 13.588 1.778 ( -10.395 8.320 2.711) 13.588 2.042 ( -16.188 -9.959 2.232) 19.137 2.042 ( -16.188 9.959 2.232) 19.137 2.336 ( -4.959 -4.752 1.115) 6.958 2.336 ( -4.959 4.752 1.115) 6.958 2.600 ( 0.651 -3.825 4.124) 5.662 2.600 ( 0.651 3.825 4.124) 5.662 2.815 ( -1.404 -4.050 1.501) 4.541 2.815 ( -1.404 4.050 1.501) 4.541 3.093 ( -2.466 -3.414 -1.168) 4.371 3.093 ( -2.466 3.414 -1.168) 4.371 3.249 ( -2.801 -8.362 -1.140) 8.892 3.249 ( -2.801 8.362 -1.140) 8.892 3.460 ( 1.328 -3.608 -3.028) 4.894 3.460 ( 1.328 3.608 -3.028) 4.894 3.614 ( -1.355 -3.514 -1.664) 4.117 3.614 ( -1.355 3.514 -1.664) 4.117 3.881 ( -1.731 -2.232 2.258) 3.616 3.881 ( -1.731 2.232 2.258) 3.616 4.023 ( -1.468 -7.150 2.410) 7.686 4.023 ( -1.468 7.150 2.410) 7.686 4.241 ( 3.467 -3.136 -0.138) 4.677 4.241 ( 3.467 3.136 -0.138) 4.677 4.491 ( 1.395 -5.761 1.506) 6.116 4.491 ( 1.395 5.761 1.506) 6.116 4.718 ( 6.538 -4.245 -0.109) 7.796 4.718 ( 6.538 4.245 -0.109) 7.796 4.837 ( 2.102 -4.304 -2.108) 5.233 4.837 ( 2.102 4.304 -2.108) 5.233 5.047 ( 1.367 -3.316 0.493) 3.620 5.047 ( 1.367 3.316 0.493) 3.620 5.226 ( -0.633 -3.409 0.172) 3.471 5.226 ( -0.633 3.409 0.172) 3.471 5.421 ( 2.653 -1.046 6.188) 6.813 5.421 ( 2.653 1.046 6.188) 6.813 5.725 ( -0.480 -3.915 0.262) 3.953 5.725 ( -0.480 3.915 0.262) 3.953 5.912 ( -3.275 -3.466 1.568) 5.020 5.912 ( -3.275 3.466 1.568) 5.020 6.419 ( -1.907 -2.893 -0.346) 3.482 6.419 ( -1.907 2.893 -0.346) 3.482 6.671 ( -2.679 -4.363 -0.885) 5.196 6.671 ( -2.679 4.363 -0.885) 5.196 7.053 ( -4.428 -4.512 -1.051) 6.408 7.053 ( -4.428 4.512 -1.051) 6.408 7.350 ( 3.034 -2.304 -0.705) 3.874 7.350 ( 3.034 2.304 -0.705) 3.874 7.460 ( -3.200 -4.081 -2.313) 5.678 7.460 ( -3.200 4.081 -2.313) 5.678 8.129 ( -1.163 -1.682 -0.666) 2.150 8.129 ( -1.163 1.682 -0.666) 2.150 8.492 ( 8.331 -8.689 -4.740) 12.937 8.492 ( 8.331 8.689 -4.740) 12.937 9.545 ( -3.703 -1.630 -0.456) 4.071 9.545 ( -3.703 1.630 -0.456) 4.071 9.720 ( 2.978 -2.510 0.234) 3.902 9.720 ( 2.978 2.510 0.234) 3.902 10.662 ( -4.589 -3.535 -2.042) 6.142 10.662 ( -4.589 3.535 -2.042) 6.142 11.847 ( -1.391 -6.646 5.907) 8.999 11.847 ( -1.391 6.646 5.907) 8.999 12.682 ( -8.130 -5.013 3.447) 10.155 12.682 ( -8.130 5.013 3.447) 10.155 13.112 ( -5.116 -0.693 -7.949) 9.478 13.112 ( -5.116 0.693 -7.949) 9.478 13.939 ( 0.230 -6.214 -0.026) 6.218 13.939 ( 0.230 6.214 -0.026) 6.218 14.402 ( 7.290 -4.461 5.888) 10.378 14.402 ( 7.290 4.461 5.888) 10.378 15.090 ( 9.405 -2.773 -4.685) 10.867 15.090 ( 9.405 2.773 -4.685) 10.867 15.759 ( 3.893 -10.003 4.918) 11.807 15.759 ( 3.893 10.003 4.918) 11.807 19.336 ( 1.897 -3.235 0.553) 3.791 19.336 ( 1.897 3.235 0.553) 3.791 24.591 ( 3.325 -1.424 -0.129) 3.619 24.591 ( 3.325 1.424 -0.129) 3.619 25.734 ( 3.144 -6.525 3.348) 7.979 25.734 ( 3.144 6.525 3.348) 7.979 26.360 ( -5.616 -0.913 -4.098) 7.012 26.360 ( -5.616 0.913 -4.098) 7.012 27.727 ( -9.679 -8.858 -1.999) 13.272 27.727 ( -9.679 8.858 -1.999) 13.272 28.835 ( 0.697 -1.568 4.717) 5.019 28.835 ( 0.697 1.568 4.717) 5.019 29.565 ( 1.818 -9.781 -7.032) 12.183 29.565 ( 1.818 9.781 -7.032) 12.183 31.231 ( 4.063 -2.595 3.482) 5.947 31.231 ( 4.063 2.595 3.482) 5.947 ======================= Grid point 141 (77/108) ======================= q-point: (-0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -10.633 -11.757 6.695) 17.208 1.603 ( -10.633 11.757 6.695) 17.208 1.768 ( -15.178 -12.559 8.804) 21.578 1.768 ( -15.178 12.559 8.804) 21.578 2.279 ( -3.182 -4.745 2.417) 6.203 2.279 ( -3.182 4.745 2.417) 6.203 2.603 ( -3.356 -4.832 1.182) 6.001 2.603 ( -3.356 4.832 1.182) 6.001 2.806 ( -1.612 -1.149 3.081) 3.662 2.806 ( -1.612 1.149 3.081) 3.662 3.002 ( -5.130 -5.327 -1.929) 7.643 3.002 ( -5.130 5.327 -1.929) 7.643 3.165 ( -5.264 -12.029 4.646) 13.928 3.165 ( -5.264 12.029 4.646) 13.928 3.426 ( -1.901 -3.727 -4.017) 5.800 3.426 ( -1.901 3.727 -4.017) 5.800 3.623 ( 1.046 -9.174 -0.126) 9.235 3.623 ( 1.046 9.174 -0.126) 9.235 3.872 ( 0.471 -2.935 0.258) 2.984 3.872 ( 0.471 2.935 0.258) 2.984 4.041 ( 2.207 -3.168 2.327) 4.508 4.041 ( 2.207 3.168 2.327) 4.508 4.300 ( 3.396 -2.993 -2.119) 4.998 4.300 ( 3.396 2.993 -2.119) 4.998 4.495 ( -1.386 -7.546 2.317) 8.014 4.495 ( -1.386 7.546 2.317) 8.014 4.813 ( 4.066 -3.087 -0.410) 5.122 4.813 ( 4.066 3.087 -0.410) 5.122 4.930 ( 7.142 -2.293 -0.816) 7.546 4.930 ( 7.142 2.293 -0.816) 7.546 5.087 ( 0.214 -2.271 -0.016) 2.281 5.087 ( 0.214 2.271 -0.016) 2.281 5.182 ( 0.061 -2.432 -2.681) 3.620 5.182 ( 0.061 2.432 -2.681) 3.620 5.503 ( 1.843 -2.415 3.894) 4.939 5.503 ( 1.843 2.415 3.894) 4.939 5.713 ( -2.299 -5.641 1.117) 6.193 5.713 ( -2.299 5.641 1.117) 6.193 5.912 ( 1.303 -2.290 5.107) 5.746 5.912 ( 1.303 2.290 5.107) 5.746 6.382 ( -1.310 -2.605 -1.500) 3.279 6.382 ( -1.310 2.605 -1.500) 3.279 6.584 ( -5.681 -2.659 -0.520) 6.294 6.584 ( -5.681 2.659 -0.520) 6.294 6.959 ( -6.351 -5.282 -1.286) 8.360 6.959 ( -6.351 5.282 -1.286) 8.360 7.228 ( -7.185 -3.221 -5.040) 9.349 7.228 ( -7.185 3.221 -5.040) 9.349 7.514 ( 4.828 -2.647 -0.316) 5.515 7.514 ( 4.828 2.647 -0.316) 5.515 8.105 ( -0.840 -2.714 0.115) 2.843 8.105 ( -0.840 2.714 0.115) 2.843 8.613 ( 8.513 -10.786 -8.426) 16.118 8.613 ( 8.513 10.786 -8.426) 16.118 9.449 ( -4.377 -2.323 -5.070) 7.089 9.449 ( -4.377 2.323 -5.070) 7.089 9.806 ( 4.462 -3.454 5.100) 7.605 9.806 ( 4.462 3.454 5.100) 7.605 10.558 ( -5.061 -3.892 -1.210) 6.498 10.558 ( -5.061 3.892 -1.210) 6.498 11.893 ( 0.856 -3.236 7.464) 8.180 11.893 ( 0.856 3.236 7.464) 8.180 12.498 ( -11.309 -4.411 0.341) 12.144 12.498 ( -11.309 4.411 0.341) 12.144 13.009 ( -1.685 -2.550 -3.711) 4.807 13.009 ( -1.685 2.550 -3.711) 4.807 13.954 ( 1.714 -6.211 -0.499) 6.462 13.954 ( 1.714 6.211 -0.499) 6.462 14.563 ( 5.490 -8.867 4.263) 11.266 14.563 ( 5.490 8.867 4.263) 11.266 15.222 ( 7.826 -5.715 -4.759) 10.795 15.222 ( 7.826 5.715 -4.759) 10.795 15.899 ( 6.314 -9.189 6.972) 13.150 15.899 ( 6.314 9.189 6.972) 13.150 19.383 ( 2.550 -4.102 1.274) 4.995 19.383 ( 2.550 4.102 1.274) 4.995 24.666 ( 4.490 -2.215 0.257) 5.013 24.666 ( 4.490 2.215 0.257) 5.013 25.808 ( 2.802 -7.674 0.081) 8.170 25.808 ( 2.802 7.674 0.081) 8.170 26.251 ( -4.049 -2.469 0.664) 4.789 26.251 ( -4.049 2.469 0.664) 4.789 27.470 ( -14.623 -8.832 -4.761) 17.734 27.470 ( -14.623 8.832 -4.761) 17.734 28.852 ( -1.259 -1.171 0.437) 1.773 28.852 ( -1.259 1.171 0.437) 1.773 29.582 ( 4.525 -11.305 -5.037) 13.177 29.582 ( 4.525 11.305 -5.037) 13.177 31.358 ( 6.253 -5.221 5.297) 9.717 31.358 ( 6.253 5.221 5.297) 9.717 ======================= Grid point 143 (78/108) ======================= q-point: (-0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -7.707 -12.447 10.079) 17.774 1.483 ( -7.707 12.447 10.079) 17.774 1.620 ( -8.152 -12.552 14.221) 20.645 1.620 ( -8.152 12.552 14.221) 20.645 2.222 ( -5.233 -4.625 5.289) 8.761 2.222 ( -5.233 4.625 5.289) 8.761 2.499 ( -5.638 -2.875 -0.481) 6.347 2.499 ( -5.638 2.875 -0.481) 6.347 2.799 ( -1.128 -2.358 2.537) 3.643 2.799 ( -1.128 2.358 2.537) 3.643 2.927 ( -1.924 -8.112 -1.074) 8.406 2.927 ( -1.924 8.112 -1.074) 8.406 3.137 ( -1.366 -14.016 6.572) 15.541 3.137 ( -1.366 14.016 6.572) 15.541 3.358 ( -2.923 -3.926 -2.614) 5.549 3.358 ( -2.923 3.926 -2.614) 5.549 3.609 ( -0.512 -8.792 -4.538) 9.907 3.609 ( -0.512 8.792 -4.538) 9.907 3.908 ( 2.484 -1.789 0.101) 3.062 3.908 ( 2.484 1.789 0.101) 3.062 4.107 ( 2.271 -2.377 0.538) 3.331 4.107 ( 2.271 2.377 0.538) 3.331 4.325 ( 0.683 -0.856 -1.787) 2.096 4.325 ( 0.683 0.856 -1.787) 2.096 4.531 ( 4.646 -6.336 2.288) 8.183 4.531 ( 4.646 6.336 2.288) 8.183 4.862 ( 0.883 -2.528 -0.688) 2.765 4.862 ( 0.883 2.528 -0.688) 2.765 4.995 ( -2.995 -2.356 -0.172) 3.815 4.995 ( -2.995 2.356 -0.172) 3.815 5.088 ( 6.264 -2.569 -1.145) 6.866 5.088 ( 6.264 2.569 -1.145) 6.866 5.241 ( 4.461 -0.814 -0.084) 4.536 5.241 ( 4.461 0.814 -0.084) 4.536 5.535 ( -1.575 -2.837 2.609) 4.164 5.535 ( -1.575 2.837 2.609) 4.164 5.646 ( -4.146 -4.662 -0.174) 6.242 5.646 ( -4.146 4.662 -0.174) 6.242 5.956 ( -2.501 -2.190 2.931) 4.431 5.956 ( -2.501 2.190 2.931) 4.431 6.353 ( -0.760 -2.727 -1.423) 3.169 6.353 ( -0.760 2.727 -1.423) 3.169 6.480 ( -4.056 -1.798 2.179) 4.943 6.480 ( -4.056 1.798 2.179) 4.943 6.804 ( -5.872 -3.547 -0.174) 6.862 6.804 ( -5.872 3.547 -0.174) 6.862 7.138 ( -0.871 -2.839 -3.661) 4.714 7.138 ( -0.871 2.839 -3.661) 4.714 7.560 ( 0.924 -4.663 -3.225) 5.744 7.560 ( 0.924 4.663 -3.225) 5.744 8.110 ( 0.710 -4.489 1.742) 4.867 8.110 ( 0.710 4.489 1.742) 4.867 8.690 ( 5.788 -12.536 -10.709) 17.474 8.690 ( 5.788 12.536 -10.709) 17.474 9.322 ( -4.915 -2.447 -6.593) 8.580 9.322 ( -4.915 2.447 -6.593) 8.580 9.945 ( 5.723 -3.771 7.058) 9.838 9.945 ( 5.723 3.771 7.058) 9.838 10.480 ( -2.060 -3.744 -0.377) 4.290 10.480 ( -2.060 3.744 -0.377) 4.290 11.893 ( -6.479 -0.873 4.008) 7.669 11.893 ( -6.479 0.873 4.008) 7.669 12.365 ( -1.398 -1.239 1.712) 2.534 12.365 ( -1.398 1.239 1.712) 2.534 12.991 ( 0.651 -3.053 -0.062) 3.122 12.991 ( 0.651 3.053 -0.062) 3.122 13.994 ( 2.840 -6.153 -1.147) 6.873 13.994 ( 2.840 6.153 -1.147) 6.873 14.638 ( 0.383 -10.795 1.699) 10.935 14.638 ( 0.383 10.795 1.699) 10.935 15.313 ( 4.265 -9.651 -4.207) 11.359 15.313 ( 4.265 9.651 -4.207) 11.359 16.058 ( 5.160 -5.974 7.371) 10.800 16.058 ( 5.160 5.974 7.371) 10.800 19.443 ( 2.253 -5.326 2.212) 6.192 19.443 ( 2.253 5.326 2.212) 6.192 24.749 ( 3.594 -3.123 0.477) 4.785 24.749 ( 3.594 3.123 0.477) 4.785 25.811 ( -1.085 -6.221 -4.597) 7.811 25.811 ( -1.085 6.221 -4.597) 7.811 26.235 ( 0.416 -5.852 3.975) 7.087 26.235 ( 0.416 5.852 3.975) 7.087 27.173 ( -12.003 -3.680 -3.469) 13.025 27.173 ( -12.003 3.680 -3.469) 13.025 28.793 ( -3.506 -3.410 -3.244) 5.869 28.793 ( -3.506 3.410 -3.244) 5.869 29.665 ( 6.433 -12.467 -3.515) 14.462 29.665 ( 6.433 12.467 -3.515) 14.462 31.510 ( 5.415 -8.486 5.451) 11.448 31.510 ( 5.415 8.486 5.451) 11.448 ======================= Grid point 155 (79/108) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -1.906 0.000 16.047) 16.160 1.745 ( -0.948 0.000 25.849) 25.866 1.927 ( -1.091 0.000 -10.390) 10.447 2.091 ( -4.443 0.000 -1.502) 4.691 2.148 ( 8.855 0.000 -5.753) 10.560 2.271 ( -2.397 0.000 3.582) 4.310 2.359 ( -2.014 0.000 -7.581) 7.844 2.462 ( -3.589 0.000 5.919) 6.922 2.521 ( 0.475 0.000 -1.122) 1.218 2.636 ( 3.188 0.000 -5.100) 6.015 2.948 ( -1.103 0.000 10.980) 11.036 3.074 ( 1.627 0.000 7.473) 7.648 3.111 ( 1.232 0.000 5.165) 5.310 3.178 ( 0.233 0.000 -2.442) 2.453 3.343 ( -1.963 0.000 3.343) 3.877 3.400 ( 2.414 0.000 -3.865) 4.557 3.446 ( 2.209 0.000 6.257) 6.636 3.742 ( -4.370 0.000 -10.322) 11.209 3.910 ( -2.852 0.000 0.612) 2.917 4.017 ( 1.016 0.000 2.699) 2.884 4.103 ( -3.685 0.000 -2.906) 4.693 4.136 ( 1.739 0.000 -6.992) 7.205 4.234 ( 1.129 0.000 -0.256) 1.158 4.368 ( 2.269 0.000 -1.545) 2.746 4.531 ( -0.704 0.000 1.318) 1.494 4.651 ( 2.156 0.000 -2.516) 3.313 4.713 ( 0.522 0.000 -0.661) 0.842 4.801 ( -1.834 0.000 0.181) 1.843 4.981 ( 3.708 0.000 -1.229) 3.907 5.034 ( 0.882 0.000 0.423) 0.978 5.059 ( 0.193 0.000 -2.034) 2.043 5.113 ( -3.662 0.000 3.950) 5.386 5.247 ( 2.577 0.000 -2.477) 3.574 5.324 ( -0.534 0.000 0.402) 0.668 5.425 ( -0.145 0.000 -0.484) 0.506 5.628 ( -1.259 0.000 1.696) 2.112 5.680 ( -1.405 0.000 4.560) 4.772 5.733 ( -4.245 0.000 1.924) 4.660 5.809 ( -1.235 0.000 0.767) 1.454 5.960 ( -2.456 0.000 -2.464) 3.479 6.283 ( 1.290 0.000 -0.083) 1.293 6.476 ( 1.735 0.000 4.582) 4.899 6.541 ( 0.613 0.000 -1.875) 1.973 6.639 ( 5.112 0.000 5.119) 7.234 6.676 ( 3.156 0.000 -0.673) 3.227 6.768 ( -1.920 0.000 -4.533) 4.923 6.991 ( -1.223 0.000 -0.882) 1.508 7.208 ( -2.589 0.000 -4.460) 5.157 7.315 ( 1.208 0.000 0.115) 1.213 7.671 ( -0.673 0.000 -3.386) 3.452 7.930 ( 0.152 0.000 -0.332) 0.365 7.974 ( 0.919 0.000 -0.891) 1.280 8.363 ( -0.171 0.000 -1.239) 1.250 8.769 ( -1.150 0.000 -1.826) 2.157 9.162 ( -1.669 0.000 -0.905) 1.899 9.381 ( 0.961 0.000 -0.432) 1.053 10.049 ( 1.359 0.000 0.713) 1.535 10.159 ( -0.015 0.000 3.058) 3.058 10.365 ( 1.898 0.000 -1.686) 2.538 10.613 ( 0.398 0.000 0.469) 0.615 11.792 ( -1.866 0.000 1.835) 2.617 11.835 ( -1.998 0.000 0.602) 2.087 12.397 ( -0.092 0.000 1.253) 1.257 12.480 ( 1.775 0.000 0.413) 1.823 12.963 ( 1.139 0.000 0.576) 1.277 13.163 ( 0.770 0.000 1.035) 1.290 13.845 ( 0.531 0.000 1.391) 1.489 14.087 ( 0.591 0.000 -1.990) 2.076 14.427 ( -0.833 0.000 2.023) 2.188 14.691 ( -0.970 0.000 -4.570) 4.672 14.972 ( -0.193 0.000 -3.248) 3.253 15.725 ( -3.915 0.000 -0.178) 3.919 16.225 ( 0.373 0.000 -1.546) 1.591 16.347 ( 2.461 0.000 3.802) 4.528 19.279 ( -0.241 0.000 -0.015) 0.242 19.763 ( -0.537 0.000 2.140) 2.207 24.716 ( 0.185 0.000 0.327) 0.376 24.912 ( -0.259 0.000 -0.751) 0.794 25.520 ( -1.858 0.000 1.394) 2.323 25.768 ( -1.373 0.000 -1.745) 2.220 26.096 ( 2.006 0.000 0.508) 2.069 26.504 ( 1.011 0.000 2.042) 2.279 27.008 ( 0.283 0.000 -1.080) 1.116 27.035 ( -0.590 0.000 -0.300) 0.662 28.543 ( -0.942 0.000 -1.198) 1.524 28.936 ( -1.136 0.000 -0.519) 1.250 29.156 ( 0.979 0.000 0.130) 0.988 29.983 ( 2.385 0.000 -2.528) 3.476 31.502 ( -0.123 0.000 3.977) 3.979 31.880 ( 0.277 0.000 -2.157) 2.174 ======================= Grid point 156 (80/108) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 6.173 0.000 10.866) 12.498 1.862 ( -1.998 0.000 14.700) 14.835 1.941 ( 6.818 0.000 -2.156) 7.151 2.013 ( -0.679 0.000 -6.447) 6.483 2.227 ( 5.838 0.000 -12.701) 13.978 2.344 ( 5.865 0.000 8.425) 10.265 2.403 ( 7.673 0.000 0.503) 7.690 2.466 ( 2.706 0.000 2.033) 3.385 2.547 ( 3.760 0.000 0.385) 3.780 2.695 ( 5.431 0.000 -4.037) 6.767 2.996 ( -1.497 0.000 6.752) 6.916 3.081 ( -0.633 0.000 4.872) 4.913 3.131 ( -1.482 0.000 -6.138) 6.315 3.209 ( 4.491 0.000 -4.099) 6.080 3.306 ( -1.689 0.000 1.007) 1.966 3.439 ( 2.872 0.000 -2.284) 3.669 3.595 ( 4.167 0.000 -0.848) 4.253 3.685 ( 5.710 0.000 6.504) 8.655 3.896 ( -1.126 0.000 3.677) 3.846 4.008 ( -3.343 0.000 -1.523) 3.673 4.038 ( -1.153 0.000 2.476) 2.731 4.115 ( -0.075 0.000 -1.708) 1.710 4.226 ( -1.101 0.000 -0.707) 1.309 4.378 ( -1.102 0.000 -1.784) 2.097 4.527 ( 2.006 0.000 -1.319) 2.401 4.586 ( -5.759 0.000 -3.098) 6.539 4.714 ( -0.526 0.000 -0.910) 1.051 4.751 ( -3.019 0.000 0.954) 3.166 4.968 ( -2.506 0.000 -4.414) 5.076 4.996 ( -5.776 0.000 -0.467) 5.795 5.102 ( 0.599 0.000 -0.010) 0.599 5.107 ( 2.031 0.000 1.553) 2.556 5.243 ( -0.061 0.000 -2.270) 2.271 5.371 ( 4.199 0.000 1.101) 4.341 5.397 ( -2.455 0.000 0.296) 2.472 5.596 ( -3.921 0.000 6.088) 7.241 5.673 ( -1.057 0.000 2.509) 2.723 5.756 ( 3.726 0.000 3.800) 5.322 5.811 ( -2.249 0.000 4.902) 5.393 5.941 ( 3.757 0.000 -0.186) 3.762 6.322 ( 2.340 0.000 -0.410) 2.376 6.463 ( -4.180 0.000 -0.737) 4.244 6.619 ( 6.896 0.000 -1.762) 7.118 6.677 ( 1.015 0.000 -4.597) 4.708 6.718 ( 3.629 0.000 -7.817) 8.619 6.822 ( 5.743 0.000 0.868) 5.809 7.006 ( 3.078 0.000 1.495) 3.422 7.151 ( -2.915 0.000 3.709) 4.717 7.298 ( -1.368 0.000 -1.982) 2.408 7.647 ( -0.808 0.000 0.462) 0.931 7.913 ( -1.192 0.000 -1.169) 1.670 7.988 ( 1.682 0.000 -1.314) 2.135 8.318 ( -3.962 0.000 -0.169) 3.965 8.768 ( 0.409 0.000 1.242) 1.308 9.137 ( -0.756 0.000 2.124) 2.255 9.393 ( 1.068 0.000 -1.149) 1.568 9.990 ( -5.421 0.000 -1.471) 5.617 10.178 ( -1.335 0.000 0.349) 1.380 10.430 ( 6.966 0.000 -3.518) 7.804 10.637 ( 2.252 0.000 -0.781) 2.383 11.881 ( 8.699 0.000 3.610) 9.418 11.885 ( 5.577 0.000 3.708) 6.697 12.358 ( -4.523 0.000 0.616) 4.564 12.491 ( 0.716 0.000 -2.453) 2.555 12.983 ( 1.590 0.000 -2.282) 2.782 13.173 ( 0.419 0.000 -1.161) 1.235 13.820 ( -2.941 0.000 -0.426) 2.972 14.073 ( -1.065 0.000 -1.319) 1.695 14.414 ( -1.924 0.000 1.751) 2.602 14.655 ( -1.400 0.000 0.262) 1.425 14.917 ( -4.092 0.000 -0.685) 4.149 15.632 ( -8.187 0.000 6.836) 10.666 16.143 ( -7.098 0.000 -1.866) 7.339 16.359 ( -1.989 0.000 -1.906) 2.755 19.259 ( -1.873 0.000 0.401) 1.915 19.705 ( -6.322 0.000 1.684) 6.543 24.691 ( -2.624 0.000 -0.288) 2.640 24.854 ( -5.072 0.000 0.271) 5.080 25.524 ( 0.247 0.000 3.728) 3.736 25.760 ( 0.212 0.000 1.416) 1.432 26.171 ( 6.636 0.000 -3.488) 7.497 26.595 ( 6.806 0.000 -2.360) 7.204 27.070 ( 6.057 0.000 -0.662) 6.093 27.102 ( 8.024 0.000 1.938) 8.254 28.530 ( -0.354 0.000 1.420) 1.463 28.959 ( 2.912 0.000 2.138) 3.612 29.142 ( -1.613 0.000 -2.011) 2.578 29.966 ( -1.525 0.000 -4.963) 5.191 31.482 ( -3.689 0.000 1.507) 3.985 31.797 ( -7.506 0.000 -0.806) 7.549 ======================= Grid point 157 (81/108) ======================= q-point: ( 0.20 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 4.561 0.000 1.259) 4.731 1.932 ( 4.066 0.000 -4.939) 6.398 1.963 ( 2.914 0.000 4.708) 5.536 2.123 ( 8.591 0.000 1.512) 8.724 2.264 ( 4.641 0.000 -4.019) 6.139 2.426 ( 1.501 0.000 2.801) 3.178 2.587 ( 6.693 0.000 -1.116) 6.785 2.655 ( 5.521 0.000 -0.551) 5.548 2.668 ( 14.563 0.000 5.451) 15.550 2.776 ( 5.660 0.000 -2.449) 6.167 2.948 ( -3.080 0.000 -2.199) 3.784 3.073 ( -0.298 0.000 0.528) 0.607 3.124 ( 0.429 0.000 1.932) 1.980 3.232 ( 2.646 0.000 -8.160) 8.579 3.339 ( 3.572 0.000 1.700) 3.956 3.461 ( 0.612 0.000 -2.745) 2.812 3.633 ( 5.034 0.000 -4.999) 7.095 3.817 ( -0.412 0.000 1.664) 1.714 3.862 ( -3.016 0.000 2.363) 3.831 4.012 ( -2.730 0.000 2.381) 3.622 4.050 ( 4.934 0.000 5.743) 7.571 4.114 ( -0.116 0.000 1.284) 1.289 4.232 ( 0.587 0.000 2.174) 2.252 4.315 ( -3.203 0.000 -4.078) 5.185 4.480 ( -3.164 0.000 2.524) 4.047 4.545 ( 0.931 0.000 -4.838) 4.927 4.667 ( -6.142 0.000 -2.110) 6.495 4.712 ( -0.403 0.000 2.782) 2.812 4.829 ( -4.443 0.000 -4.302) 6.185 4.945 ( -4.271 0.000 -0.417) 4.292 5.017 ( -5.137 0.000 0.972) 5.228 5.164 ( 1.659 0.000 -2.375) 2.897 5.214 ( -2.787 0.000 -0.596) 2.850 5.343 ( -1.031 0.000 1.232) 1.607 5.428 ( 2.632 0.000 -0.149) 2.636 5.615 ( -1.918 0.000 8.492) 8.706 5.641 ( -3.321 0.000 2.489) 4.150 5.765 ( -4.118 0.000 2.638) 4.891 5.945 ( 9.155 0.000 1.785) 9.328 6.026 ( 6.699 0.000 -0.286) 6.705 6.324 ( -1.893 0.000 -1.106) 2.193 6.447 ( 3.234 0.000 -0.697) 3.309 6.608 ( -2.022 0.000 -7.213) 7.492 6.690 ( 4.566 0.000 -2.499) 5.205 6.769 ( -1.145 0.000 -3.125) 3.329 6.921 ( 7.360 0.000 4.232) 8.490 7.117 ( 6.776 0.000 -0.121) 6.777 7.123 ( -3.210 0.000 6.375) 7.137 7.311 ( 3.641 0.000 -0.398) 3.662 7.629 ( -2.294 0.000 1.095) 2.542 7.889 ( 0.206 0.000 -2.019) 2.030 8.027 ( 3.076 0.000 -1.281) 3.332 8.237 ( -4.455 0.000 1.914) 4.849 8.752 ( -3.463 0.000 1.206) 3.667 9.187 ( 4.265 0.000 4.169) 5.964 9.424 ( 2.848 0.000 0.174) 2.853 9.873 ( -5.116 0.000 -2.348) 5.629 10.091 ( -6.803 0.000 -1.912) 7.067 10.569 ( 9.558 0.000 -4.376) 10.512 10.681 ( 3.102 0.000 -1.843) 3.608 11.999 ( 2.135 0.000 1.126) 2.413 12.142 ( 14.828 0.000 3.152) 15.159 12.277 ( -2.865 0.000 1.838) 3.404 12.510 ( 3.521 0.000 -0.039) 3.521 12.996 ( 2.434 0.000 -5.297) 5.829 13.169 ( 0.822 0.000 -3.407) 3.505 13.757 ( -2.799 0.000 -0.690) 2.883 14.042 ( -1.608 0.000 0.969) 1.877 14.375 ( -3.150 0.000 1.042) 3.318 14.626 ( -3.467 0.000 3.199) 4.718 14.822 ( -5.788 0.000 1.567) 5.997 15.484 ( -13.235 0.000 7.884) 15.406 15.961 ( -9.070 0.000 -5.089) 10.400 16.271 ( -5.121 0.000 -2.753) 5.814 19.221 ( -2.271 0.000 0.577) 2.343 19.580 ( -7.058 0.000 1.030) 7.132 24.627 ( -3.424 0.000 -0.759) 3.507 24.750 ( -5.699 0.000 0.117) 5.700 25.562 ( 0.381 0.000 5.206) 5.220 25.772 ( -0.730 0.000 2.967) 3.056 26.280 ( 7.918 0.000 -7.091) 10.629 26.657 ( 3.246 0.000 -8.922) 9.494 27.223 ( 10.050 0.000 1.570) 10.172 27.369 ( 15.267 0.000 8.744) 17.594 28.551 ( 0.728 0.000 3.994) 4.060 29.039 ( 0.451 0.000 2.548) 2.587 29.104 ( 2.669 0.000 -2.798) 3.866 29.875 ( -3.959 0.000 -6.223) 7.376 31.395 ( -5.416 0.000 -0.609) 5.450 31.617 ( -10.498 0.000 -0.504) 10.510 ======================= Grid point 158 (82/108) ======================= q-point: ( 0.30 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 3.015 0.000 -3.201) 4.398 2.018 ( 9.329 0.000 -3.214) 9.867 2.085 ( 5.077 0.000 0.968) 5.168 2.257 ( 6.121 0.000 -1.330) 6.263 2.376 ( 5.849 0.000 5.159) 7.800 2.493 ( 0.943 0.000 1.945) 2.161 2.582 ( -1.376 0.000 -3.357) 3.628 2.702 ( 2.883 0.000 -4.369) 5.234 2.872 ( 5.406 0.000 1.076) 5.512 2.897 ( 3.989 0.000 -4.146) 5.753 3.000 ( 8.802 0.000 1.763) 8.976 3.109 ( 0.054 0.000 -3.244) 3.244 3.130 ( 3.756 0.000 6.960) 7.909 3.218 ( 1.137 0.000 -7.376) 7.463 3.417 ( 2.060 0.000 0.607) 2.147 3.452 ( 1.416 0.000 -1.358) 1.962 3.636 ( -4.166 0.000 -0.902) 4.263 3.792 ( 2.190 0.000 -5.244) 5.683 3.862 ( -0.878 0.000 2.478) 2.629 3.982 ( -2.497 0.000 3.027) 3.924 4.093 ( -2.335 0.000 0.227) 2.346 4.140 ( 0.887 0.000 -0.670) 1.112 4.224 ( -3.229 0.000 2.065) 3.833 4.252 ( 1.641 0.000 -4.550) 4.837 4.427 ( -4.979 0.000 -0.057) 4.979 4.480 ( -10.905 0.000 -0.061) 10.905 4.561 ( 1.950 0.000 1.042) 2.211 4.731 ( 0.369 0.000 -1.564) 1.607 4.777 ( 0.200 0.000 -1.853) 1.864 4.831 ( -5.561 0.000 -1.108) 5.670 4.971 ( -2.638 0.000 6.167) 6.708 5.101 ( -3.034 0.000 -1.104) 3.229 5.184 ( -1.438 0.000 2.201) 2.629 5.403 ( 3.736 0.000 -0.131) 3.739 5.494 ( 3.903 0.000 -0.786) 3.981 5.530 ( -6.039 0.000 1.687) 6.270 5.644 ( -4.074 0.000 3.750) 5.538 5.711 ( 0.741 0.000 0.219) 0.773 6.012 ( 1.814 0.000 -1.168) 2.158 6.135 ( -2.232 0.000 -0.046) 2.233 6.371 ( 9.677 0.000 -2.053) 9.893 6.456 ( 1.640 0.000 -3.187) 3.584 6.628 ( 4.835 0.000 -0.855) 4.910 6.679 ( -4.546 0.000 -0.826) 4.620 6.787 ( 5.624 0.000 2.148) 6.020 7.056 ( 0.949 0.000 6.106) 6.179 7.156 ( 2.949 0.000 7.251) 7.828 7.231 ( 4.130 0.000 1.526) 4.402 7.382 ( 3.864 0.000 -2.228) 4.460 7.565 ( -3.997 0.000 -0.877) 4.092 7.901 ( 1.800 0.000 -1.348) 2.249 8.073 ( 2.528 0.000 -1.453) 2.916 8.194 ( -1.510 0.000 2.359) 2.801 8.671 ( -4.951 0.000 0.569) 4.984 9.332 ( 7.082 0.000 5.382) 8.895 9.497 ( 4.081 0.000 1.025) 4.208 9.782 ( -2.908 0.000 -2.156) 3.620 9.931 ( -7.790 0.000 -2.920) 8.319 10.673 ( 3.848 0.000 -5.769) 6.934 10.757 ( 6.664 0.000 -1.075) 6.751 11.935 ( -5.788 0.000 -4.012) 7.043 12.263 ( 0.264 0.000 -0.262) 0.372 12.448 ( 13.599 0.000 3.055) 13.938 12.653 ( 7.751 0.000 7.863) 11.041 13.008 ( 3.064 0.000 -6.950) 7.595 13.177 ( 3.490 0.000 -4.450) 5.656 13.720 ( -0.974 0.000 0.640) 1.165 14.041 ( 0.280 0.000 2.669) 2.683 14.312 ( -4.144 0.000 0.917) 4.244 14.549 ( -6.947 0.000 2.987) 7.562 14.744 ( -3.578 0.000 3.250) 4.834 15.241 ( -15.267 0.000 2.776) 15.517 15.761 ( -8.258 0.000 -5.974) 10.192 16.148 ( -6.125 0.000 -1.908) 6.416 19.189 ( -1.428 0.000 0.559) 1.533 19.475 ( -4.586 0.000 0.969) 4.687 24.564 ( -2.612 0.000 -0.874) 2.755 24.652 ( -4.447 0.000 -0.405) 4.466 25.595 ( -0.599 0.000 5.513) 5.545 25.769 ( -1.557 0.000 3.087) 3.457 26.364 ( 6.240 0.000 -8.352) 10.425 26.624 ( 0.665 0.000 -11.192) 11.211 27.455 ( 12.226 0.000 4.126) 12.903 27.704 ( 11.788 0.000 11.393) 16.394 28.605 ( 1.604 0.000 5.685) 5.907 28.991 ( -2.079 0.000 -3.386) 3.973 29.220 ( 6.498 0.000 2.355) 6.911 29.753 ( -4.291 0.000 -6.770) 8.015 31.288 ( -4.894 0.000 -1.505) 5.120 31.420 ( -9.458 0.000 -1.011) 9.512 ======================= Grid point 159 (83/108) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 4.123 0.000 -1.839) 4.514 2.123 ( -1.404 0.000 -1.763) 2.253 2.211 ( 10.597 0.000 0.048) 10.598 2.350 ( 4.223 0.000 -2.171) 4.748 2.429 ( -3.689 0.000 3.449) 5.050 2.513 ( 5.211 0.000 5.266) 7.409 2.572 ( -0.317 0.000 -6.121) 6.129 2.794 ( 6.580 0.000 -0.069) 6.580 2.896 ( -0.217 0.000 -1.975) 1.987 2.952 ( 2.525 0.000 0.015) 2.525 3.018 ( -0.436 0.000 -3.441) 3.468 3.152 ( -1.583 0.000 -4.367) 4.645 3.227 ( 6.382 0.000 -1.034) 6.466 3.283 ( 6.430 0.000 4.536) 7.869 3.399 ( -3.350 0.000 -1.054) 3.512 3.451 ( -2.446 0.000 -3.888) 4.593 3.555 ( -1.587 0.000 -2.482) 2.946 3.798 ( 0.276 0.000 2.039) 2.057 3.835 ( -1.146 0.000 -3.491) 3.674 3.948 ( -2.211 0.000 4.222) 4.766 4.060 ( -1.757 0.000 -4.073) 4.436 4.086 ( -2.331 0.000 -0.461) 2.376 4.178 ( -7.589 0.000 -2.484) 7.986 4.210 ( -0.957 0.000 -1.657) 1.913 4.334 ( -3.536 0.000 1.667) 3.909 4.381 ( -0.202 0.000 3.780) 3.785 4.584 ( -0.533 0.000 0.184) 0.564 4.681 ( -3.025 0.000 -0.743) 3.115 4.754 ( -0.857 0.000 -1.521) 1.745 4.801 ( 2.025 0.000 -2.440) 3.170 4.986 ( -1.764 0.000 10.494) 10.641 5.100 ( 1.077 0.000 1.881) 2.168 5.153 ( -2.436 0.000 -0.008) 2.436 5.355 ( -4.601 0.000 -2.302) 5.145 5.506 ( -2.225 0.000 4.814) 5.303 5.523 ( -0.883 0.000 -1.273) 1.549 5.651 ( 7.016 0.000 -1.242) 7.126 5.733 ( 0.619 0.000 -1.746) 1.853 6.024 ( -0.268 0.000 -0.542) 0.605 6.062 ( -3.223 0.000 -0.764) 3.312 6.457 ( 0.651 0.000 -3.215) 3.280 6.535 ( 5.813 0.000 -1.617) 6.033 6.634 ( 0.173 0.000 3.403) 3.407 6.742 ( 5.913 0.000 2.510) 6.423 6.911 ( 5.802 0.000 1.574) 6.012 7.094 ( 0.667 0.000 5.478) 5.519 7.246 ( 0.467 0.000 3.175) 3.209 7.256 ( -2.736 0.000 0.806) 2.852 7.402 ( 1.700 0.000 -3.061) 3.502 7.525 ( 0.375 0.000 0.570) 0.683 7.918 ( 0.562 0.000 -0.855) 1.023 8.108 ( 2.096 0.000 -1.099) 2.367 8.199 ( 0.570 0.000 0.602) 0.829 8.597 ( -3.122 0.000 0.800) 3.223 9.491 ( 5.920 0.000 4.708) 7.564 9.575 ( 3.213 0.000 1.354) 3.487 9.732 ( -1.215 0.000 -2.367) 2.660 9.780 ( -6.133 0.000 -2.873) 6.773 10.688 ( 1.912 0.000 -4.094) 4.518 10.861 ( 4.236 0.000 -1.091) 4.374 11.794 ( -5.816 0.000 -3.567) 6.823 12.259 ( -0.535 0.000 0.078) 0.541 12.670 ( 6.745 0.000 4.272) 7.984 12.815 ( 4.306 0.000 4.431) 6.178 13.024 ( 2.877 0.000 -5.954) 6.613 13.268 ( 8.100 0.000 -2.536) 8.487 13.726 ( 0.617 0.000 1.437) 1.564 14.071 ( 0.558 0.000 2.567) 2.627 14.244 ( -3.167 0.000 1.036) 3.332 14.423 ( -7.066 0.000 1.359) 7.195 14.736 ( 0.451 0.000 3.538) 3.567 14.992 ( -10.865 0.000 -0.563) 10.880 15.583 ( -6.529 0.000 -5.059) 8.260 16.032 ( -4.777 0.000 -1.062) 4.894 19.177 ( -0.176 0.000 0.313) 0.359 19.421 ( -2.056 0.000 1.163) 2.362 24.522 ( -1.204 0.000 -0.710) 1.398 24.582 ( -2.641 0.000 -0.529) 2.694 25.611 ( -1.077 0.000 5.018) 5.133 25.761 ( -0.771 0.000 2.110) 2.247 26.409 ( 3.678 0.000 -6.527) 7.492 26.553 ( -0.962 0.000 -9.665) 9.713 27.709 ( 11.192 0.000 4.725) 12.149 27.911 ( 3.108 0.000 8.152) 8.724 28.676 ( 1.910 0.000 5.773) 6.081 28.945 ( -0.512 0.000 -3.330) 3.369 29.339 ( 3.861 0.000 2.832) 4.788 29.642 ( -2.503 0.000 -6.916) 7.355 31.205 ( -2.748 0.000 -1.187) 2.993 31.264 ( -6.295 0.000 -0.854) 6.353 ======================= Grid point 160 (84/108) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 3.681 0.000 0.530) 3.719 2.026 ( -5.100 0.000 -1.509) 5.319 2.318 ( -4.684 0.000 3.892) 6.090 2.365 ( 2.758 0.000 -2.416) 3.666 2.463 ( 2.525 0.000 -0.844) 2.662 2.532 ( -0.147 0.000 -1.368) 1.376 2.592 ( -1.041 0.000 1.868) 2.139 2.798 ( -1.890 0.000 2.940) 3.495 2.918 ( -0.096 0.000 -0.431) 0.442 3.017 ( 0.993 0.000 -0.213) 1.015 3.043 ( 4.224 0.000 0.749) 4.290 3.080 ( -0.470 0.000 -0.047) 0.473 3.162 ( -11.993 0.000 -7.335) 14.058 3.315 ( 1.706 0.000 -0.977) 1.966 3.412 ( 1.715 0.000 -3.545) 3.938 3.444 ( 4.504 0.000 1.554) 4.764 3.515 ( -0.940 0.000 -2.887) 3.036 3.806 ( 0.384 0.000 -1.599) 1.644 3.851 ( -0.046 0.000 3.742) 3.742 3.960 ( 0.262 0.000 3.813) 3.822 3.980 ( -3.590 0.000 -1.532) 3.903 4.039 ( -1.008 0.000 -1.824) 2.084 4.062 ( 0.313 0.000 -0.435) 0.536 4.190 ( -0.882 0.000 -1.304) 1.574 4.329 ( 2.519 0.000 0.200) 2.527 4.443 ( 2.411 0.000 3.486) 4.238 4.557 ( -1.592 0.000 -0.509) 1.671 4.631 ( -2.841 0.000 1.659) 3.290 4.743 ( 0.865 0.000 -2.342) 2.496 4.817 ( 1.023 0.000 -2.814) 2.994 5.012 ( -1.915 0.000 8.848) 9.053 5.102 ( -0.478 0.000 1.082) 1.183 5.176 ( 4.214 0.000 1.846) 4.601 5.284 ( -1.751 0.000 -3.273) 3.712 5.438 ( -3.601 0.000 1.734) 3.997 5.546 ( -0.209 0.000 3.923) 3.929 5.718 ( -0.297 0.000 -2.530) 2.547 5.746 ( 0.574 0.000 -0.999) 1.152 5.985 ( -2.238 0.000 1.663) 2.788 6.045 ( 2.377 0.000 -2.742) 3.629 6.428 ( -1.342 0.000 -0.944) 1.641 6.566 ( -0.898 0.000 -0.994) 1.340 6.722 ( 3.156 0.000 5.720) 6.533 6.809 ( -0.421 0.000 -0.522) 0.670 7.008 ( 2.300 0.000 -1.649) 2.829 7.150 ( 0.866 0.000 4.546) 4.628 7.185 ( -0.539 0.000 0.511) 0.742 7.213 ( -2.522 0.000 -1.337) 2.855 7.437 ( 1.327 0.000 -2.904) 3.193 7.562 ( 3.683 0.000 -0.850) 3.779 7.919 ( 0.505 0.000 -0.917) 1.046 8.128 ( 0.640 0.000 -1.537) 1.665 8.209 ( 0.146 0.000 0.025) 0.148 8.570 ( -0.346 0.000 1.181) 1.231 9.606 ( 3.415 0.000 3.866) 5.158 9.633 ( 1.934 0.000 2.177) 2.912 9.664 ( -4.364 0.000 -2.355) 4.959 9.697 ( -0.702 0.000 -3.971) 4.032 10.691 ( -0.239 0.000 -1.566) 1.584 10.889 ( -0.579 0.000 -0.800) 0.987 11.699 ( -2.542 0.000 0.319) 2.562 12.244 ( -1.735 0.000 1.801) 2.501 12.748 ( -1.344 0.000 6.174) 6.319 12.880 ( 1.961 0.000 -2.716) 3.351 13.033 ( 1.497 0.000 -4.415) 4.662 13.365 ( 0.994 0.000 -1.715) 1.983 13.748 ( 0.810 0.000 0.296) 0.862 14.090 ( 0.845 0.000 0.902) 1.236 14.222 ( -0.140 0.000 1.752) 1.757 14.339 ( -1.656 0.000 1.580) 2.289 14.804 ( 4.434 0.000 1.297) 4.620 14.854 ( -2.454 0.000 -1.625) 2.943 15.473 ( -2.323 0.000 -1.535) 2.785 15.972 ( -1.024 0.000 0.388) 1.095 19.182 ( 0.619 0.000 -0.425) 0.751 19.407 ( -0.302 0.000 1.131) 1.171 24.508 ( -0.016 0.000 -0.438) 0.438 24.551 ( -0.229 0.000 -0.166) 0.283 25.622 ( -0.854 0.000 4.220) 4.306 25.772 ( 1.122 0.000 0.322) 1.167 26.424 ( 1.071 0.000 -2.777) 2.976 26.468 ( -2.659 0.000 -6.141) 6.692 27.894 ( 0.624 0.000 2.960) 3.025 27.946 ( 2.339 0.000 2.320) 3.294 28.738 ( 1.165 0.000 3.365) 3.561 28.922 ( -0.493 0.000 -1.841) 1.905 29.383 ( -1.402 0.000 3.517) 3.786 29.587 ( 1.479 0.000 -6.732) 6.893 31.175 ( -1.132 0.000 -0.040) 1.132 31.183 ( -0.754 0.000 0.477) 0.892 ======================= Grid point 161 (85/108) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -7.392 0.000 0.307) 7.399 2.079 ( 1.635 0.000 2.293) 2.816 2.169 ( -13.116 0.000 3.839) 13.666 2.326 ( -5.393 0.000 -0.361) 5.405 2.476 ( 0.522 0.000 -0.613) 0.805 2.505 ( -0.195 0.000 -0.435) 0.476 2.595 ( -0.911 0.000 0.899) 1.280 2.751 ( -7.126 0.000 4.547) 8.453 2.875 ( -6.687 0.000 -3.471) 7.535 2.964 ( -0.188 0.000 3.102) 3.108 2.976 ( -2.085 0.000 -2.575) 3.313 3.046 ( -1.899 0.000 4.438) 4.827 3.203 ( 1.004 0.000 2.538) 2.729 3.312 ( 0.016 0.000 0.075) 0.077 3.419 ( -1.354 0.000 -4.245) 4.455 3.465 ( 4.273 0.000 -5.239) 6.761 3.532 ( 2.568 0.000 0.022) 2.568 3.795 ( -2.747 0.000 -0.656) 2.825 3.813 ( -3.553 0.000 2.382) 4.277 3.945 ( 0.025 0.000 7.258) 7.258 3.999 ( 1.375 0.000 -0.418) 1.437 4.084 ( 1.478 0.000 -0.055) 1.479 4.128 ( 6.310 0.000 2.786) 6.897 4.201 ( 3.623 0.000 -1.567) 3.947 4.396 ( 5.722 0.000 -3.131) 6.522 4.452 ( -1.727 0.000 -2.704) 3.208 4.563 ( 2.769 0.000 2.110) 3.482 4.632 ( 0.715 0.000 3.415) 3.490 4.757 ( 2.068 0.000 -1.432) 2.516 4.805 ( 0.301 0.000 -2.305) 2.325 5.015 ( -2.226 0.000 6.124) 6.516 5.172 ( 4.446 0.000 -2.048) 4.895 5.212 ( -1.399 0.000 -6.290) 6.444 5.272 ( 4.896 0.000 3.659) 6.112 5.440 ( 0.717 0.000 6.569) 6.608 5.543 ( -2.487 0.000 2.279) 3.374 5.653 ( -6.403 0.000 -1.273) 6.528 5.712 ( 0.692 0.000 0.254) 0.737 5.992 ( 0.195 0.000 1.850) 1.860 6.074 ( 1.364 0.000 -1.666) 2.154 6.401 ( -2.167 0.000 1.821) 2.830 6.525 ( -2.981 0.000 -0.444) 3.013 6.678 ( -6.484 0.000 0.041) 6.485 6.807 ( -0.760 0.000 -2.410) 2.527 6.935 ( -5.749 0.000 -2.652) 6.331 7.168 ( -0.712 0.000 -1.466) 1.629 7.209 ( 2.541 0.000 3.934) 4.683 7.278 ( 5.984 0.000 0.314) 5.992 7.398 ( -2.311 0.000 -3.130) 3.890 7.613 ( 2.830 0.000 -6.655) 7.232 7.928 ( 0.957 0.000 -1.925) 2.150 8.109 ( -1.380 0.000 -1.583) 2.100 8.209 ( 0.473 0.000 -0.291) 0.556 8.598 ( 2.571 0.000 1.030) 2.770 9.564 ( -4.676 0.000 -2.947) 5.527 9.624 ( -2.504 0.000 -2.655) 3.650 9.682 ( 1.341 0.000 2.462) 2.804 9.720 ( 4.867 0.000 2.493) 5.468 10.647 ( -3.714 0.000 0.226) 3.721 10.839 ( -4.486 0.000 0.582) 4.524 11.714 ( 2.328 0.000 4.829) 5.361 12.216 ( -3.017 0.000 3.841) 4.884 12.703 ( -7.259 0.000 3.158) 7.917 12.863 ( -0.971 0.000 -3.063) 3.213 13.022 ( -0.027 0.000 -4.417) 4.417 13.259 ( -9.308 0.000 -2.199) 9.564 13.747 ( -0.706 0.000 -0.856) 1.110 14.099 ( -0.813 0.000 -0.011) 0.813 14.265 ( 4.117 0.000 -0.471) 4.144 14.415 ( 7.754 0.000 3.204) 8.390 14.818 ( 1.993 0.000 -5.094) 5.470 14.961 ( 9.705 0.000 1.437) 9.811 15.492 ( 3.456 0.000 3.957) 5.254 16.004 ( 3.433 0.000 2.030) 3.989 19.192 ( 1.029 0.000 -1.277) 1.640 19.422 ( 1.215 0.000 1.075) 1.622 24.516 ( 1.103 0.000 -0.074) 1.106 24.573 ( 2.396 0.000 0.348) 2.421 25.634 ( -0.446 0.000 3.202) 3.233 25.807 ( 3.098 0.000 -2.235) 3.820 26.370 ( -4.455 0.000 -2.663) 5.191 26.425 ( -1.045 0.000 2.785) 2.975 27.766 ( -10.488 0.000 -1.073) 10.543 28.031 ( 2.293 0.000 -3.492) 4.177 28.751 ( -0.628 0.000 -1.044) 1.218 28.901 ( -1.100 0.000 0.548) 1.229 29.345 ( -4.537 0.000 3.074) 5.480 29.603 ( 3.769 0.000 -4.335) 5.745 31.172 ( 0.978 0.000 1.970) 2.199 31.236 ( 4.703 0.000 2.031) 5.123 ======================= Grid point 162 (86/108) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -8.276 0.000 6.006) 10.225 1.902 ( -16.504 0.000 7.911) 18.302 2.072 ( -3.697 0.000 0.994) 3.829 2.210 ( -7.429 0.000 3.130) 8.062 2.473 ( -2.104 0.000 -1.622) 2.656 2.533 ( 2.521 0.000 2.267) 3.390 2.552 ( -0.982 0.000 -3.032) 3.187 2.642 ( -5.291 0.000 0.810) 5.353 2.783 ( -4.984 0.000 5.694) 7.567 2.887 ( -4.787 0.000 -0.569) 4.821 3.018 ( -0.120 0.000 5.615) 5.616 3.040 ( -2.853 0.000 2.672) 3.909 3.100 ( -8.102 0.000 -0.826) 8.144 3.251 ( -4.133 0.000 -5.016) 6.499 3.414 ( -0.922 0.000 1.093) 1.430 3.474 ( -1.116 0.000 -4.374) 4.514 3.590 ( -2.668 0.000 3.378) 4.304 3.698 ( 1.659 0.000 3.659) 4.018 3.878 ( 5.928 0.000 1.273) 6.063 3.990 ( 0.008 0.000 3.671) 3.671 4.050 ( 3.445 0.000 3.782) 5.116 4.115 ( 1.853 0.000 0.293) 1.876 4.201 ( -2.662 0.000 0.190) 2.669 4.242 ( 2.239 0.000 -0.381) 2.271 4.451 ( 3.884 0.000 0.454) 3.911 4.510 ( 6.260 0.000 -4.379) 7.639 4.616 ( 3.571 0.000 -3.241) 4.823 4.678 ( 2.061 0.000 2.640) 3.349 4.808 ( 3.625 0.000 -0.817) 3.716 4.822 ( 3.093 0.000 -3.365) 4.571 5.026 ( 0.296 0.000 5.846) 5.853 5.106 ( -1.858 0.000 -6.775) 7.025 5.243 ( 1.970 0.000 -2.778) 3.405 5.379 ( 0.552 0.000 1.652) 1.742 5.464 ( -5.387 0.000 1.638) 5.631 5.520 ( 4.852 0.000 3.509) 5.988 5.634 ( 4.568 0.000 2.989) 5.459 5.732 ( 0.928 0.000 -0.118) 0.936 5.977 ( -3.094 0.000 2.497) 3.976 6.104 ( 2.439 0.000 2.443) 3.452 6.336 ( -7.196 0.000 1.289) 7.311 6.435 ( -4.461 0.000 -0.556) 4.496 6.609 ( -2.628 0.000 1.299) 2.931 6.725 ( -1.477 0.000 -5.940) 6.121 6.818 ( -6.708 0.000 -0.131) 6.709 7.132 ( -2.329 0.000 -1.435) 2.736 7.241 ( -4.691 0.000 -1.851) 5.043 7.302 ( 3.206 0.000 -3.882) 5.035 7.410 ( 1.764 0.000 -3.886) 4.268 7.582 ( 0.507 0.000 -4.932) 4.958 7.907 ( -1.589 0.000 -2.337) 2.826 8.067 ( -2.070 0.000 -0.991) 2.295 8.241 ( 3.640 0.000 -2.168) 4.236 8.677 ( 5.225 0.000 0.306) 5.234 9.437 ( -6.054 0.000 -5.244) 8.009 9.542 ( -3.611 0.000 -3.775) 5.224 9.729 ( 1.926 0.000 3.280) 3.804 9.855 ( 6.824 0.000 4.812) 8.350 10.574 ( -5.262 0.000 3.692) 6.428 10.740 ( -5.791 0.000 0.596) 5.821 11.830 ( 5.282 0.000 6.867) 8.664 12.187 ( -3.234 0.000 6.079) 6.886 12.516 ( -11.992 0.000 -2.092) 12.173 12.786 ( -7.556 0.000 -3.952) 8.527 12.953 ( -3.478 0.000 -3.249) 4.759 13.108 ( -3.875 0.000 1.787) 4.267 13.728 ( -0.439 0.000 -0.203) 0.484 14.077 ( -0.876 0.000 -0.417) 0.971 14.342 ( 4.249 0.000 -1.464) 4.494 14.608 ( 10.396 0.000 -1.785) 10.548 14.838 ( 4.309 0.000 -6.950) 8.177 15.211 ( 14.955 0.000 4.904) 15.738 15.630 ( 6.645 0.000 7.102) 9.726 16.110 ( 5.839 0.000 2.182) 6.233 19.207 ( 1.561 0.000 -1.405) 2.100 19.470 ( 3.191 0.000 1.500) 3.526 24.551 ( 2.572 0.000 0.337) 2.594 24.642 ( 4.554 0.000 0.623) 4.596 25.641 ( -0.602 0.000 1.739) 1.840 25.849 ( 3.618 0.000 -5.212) 6.345 26.265 ( -6.094 0.000 1.028) 6.180 26.434 ( -1.396 0.000 7.898) 8.021 27.526 ( -13.106 0.000 -2.877) 13.418 27.933 ( -8.157 0.000 -11.932) 14.454 28.711 ( -1.480 0.000 -4.493) 4.730 28.908 ( 0.825 0.000 4.416) 4.493 29.254 ( -6.177 0.000 0.141) 6.179 29.674 ( 5.149 0.000 0.086) 5.150 31.233 ( 3.335 0.000 3.783) 5.043 31.382 ( 8.868 0.000 3.162) 9.415 ======================= Grid point 163 (87/108) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -9.957 0.000 14.131) 17.287 1.687 ( -13.663 0.000 15.297) 20.511 2.012 ( -1.827 0.000 -0.234) 1.842 2.122 ( -3.938 0.000 3.852) 5.509 2.347 ( -5.926 0.000 -8.927) 10.714 2.497 ( -3.332 0.000 -2.212) 3.999 2.579 ( -3.712 0.000 2.014) 4.223 2.614 ( 1.420 0.000 1.870) 2.348 2.682 ( -10.237 0.000 7.963) 12.969 2.780 ( -11.141 0.000 -3.520) 11.684 2.866 ( -3.453 0.000 1.875) 3.929 3.010 ( -6.871 0.000 11.696) 13.565 3.092 ( 2.090 0.000 3.238) 3.854 3.156 ( -2.433 0.000 -4.550) 5.160 3.358 ( -3.681 0.000 2.820) 4.637 3.429 ( -0.900 0.000 -3.408) 3.524 3.540 ( -3.538 0.000 2.309) 4.225 3.829 ( 7.021 0.000 -0.166) 7.023 3.913 ( -1.113 0.000 -2.166) 2.435 4.046 ( 2.704 0.000 -0.046) 2.704 4.109 ( -2.863 0.000 1.560) 3.261 4.159 ( 4.412 0.000 -1.132) 4.555 4.184 ( 4.042 0.000 4.134) 5.782 4.266 ( -0.226 0.000 0.390) 0.451 4.514 ( -1.762 0.000 1.316) 2.199 4.535 ( 4.012 0.000 -3.504) 5.327 4.677 ( 3.547 0.000 -3.863) 5.245 4.749 ( 3.529 0.000 0.566) 3.574 4.810 ( 2.520 0.000 -4.140) 4.847 4.935 ( 7.413 0.000 0.116) 7.414 5.046 ( 0.570 0.000 -2.169) 2.243 5.111 ( 1.704 0.000 3.153) 3.584 5.212 ( -2.825 0.000 -1.354) 3.133 5.355 ( -0.291 0.000 0.667) 0.727 5.413 ( -0.935 0.000 0.794) 1.226 5.637 ( 3.249 0.000 2.125) 3.882 5.739 ( 2.335 0.000 -1.364) 2.704 5.784 ( 6.351 0.000 -0.168) 6.354 5.932 ( -3.383 0.000 2.655) 4.300 6.059 ( -11.020 0.000 -2.638) 11.331 6.277 ( 3.381 0.000 3.915) 5.173 6.386 ( -1.690 0.000 3.456) 3.847 6.565 ( -1.086 0.000 -0.554) 1.219 6.661 ( -7.992 0.000 0.399) 8.002 6.723 ( -0.851 0.000 0.499) 0.986 7.028 ( -8.002 0.000 -4.633) 9.247 7.121 ( -4.997 0.000 -1.304) 5.164 7.278 ( -2.820 0.000 -10.203) 10.586 7.347 ( 0.678 0.000 -4.323) 4.376 7.644 ( 4.693 0.000 -0.059) 4.693 7.873 ( -0.253 0.000 -0.622) 0.671 8.021 ( -2.116 0.000 -0.798) 2.262 8.299 ( 4.224 0.000 -3.892) 5.744 8.779 ( 5.091 0.000 -1.439) 5.291 9.288 ( -5.097 0.000 -6.176) 8.007 9.450 ( -3.665 0.000 -2.747) 4.580 9.809 ( 4.290 0.000 4.289) 6.066 10.022 ( 6.945 0.000 5.146) 8.643 10.478 ( -7.712 0.000 4.243) 8.802 10.660 ( -2.969 0.000 0.510) 3.013 11.955 ( 2.171 0.000 5.229) 5.662 12.140 ( -9.119 0.000 4.101) 9.999 12.311 ( -3.485 0.000 -1.967) 4.001 12.550 ( -11.065 0.000 -3.332) 11.556 12.919 ( -0.508 0.000 1.778) 1.849 13.100 ( 0.281 0.000 2.809) 2.823 13.739 ( 1.416 0.000 1.105) 1.797 14.070 ( 0.723 0.000 -1.213) 1.412 14.396 ( 2.213 0.000 -0.598) 2.293 14.732 ( 5.533 0.000 -7.532) 9.346 14.896 ( 6.071 0.000 -6.053) 8.573 15.555 ( 16.824 0.000 2.238) 16.972 15.816 ( 8.074 0.000 9.347) 12.351 16.224 ( 4.477 0.000 1.305) 4.663 19.234 ( 2.074 0.000 -0.805) 2.225 19.566 ( 5.591 0.000 2.556) 6.147 24.613 ( 3.530 0.000 0.616) 3.583 24.748 ( 6.251 0.000 0.321) 6.259 25.624 ( -1.970 0.000 -0.103) 1.973 25.863 ( 1.559 0.000 -6.573) 6.755 26.162 ( -6.186 0.000 3.744) 7.231 26.476 ( -0.342 0.000 9.453) 9.459 27.267 ( -11.780 0.000 -2.591) 12.061 27.587 ( -18.335 0.000 -14.174) 23.175 28.645 ( -1.937 0.000 -5.420) 5.756 28.989 ( 3.784 0.000 5.584) 6.745 29.127 ( -6.116 0.000 -2.284) 6.528 29.789 ( 5.976 0.000 2.365) 6.427 31.335 ( 4.218 0.000 5.097) 6.616 31.595 ( 11.450 0.000 2.184) 11.656 ======================= Grid point 164 (88/108) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -11.110 0.000 16.710) 20.067 1.639 ( -5.527 0.000 24.235) 24.857 2.025 ( 3.853 0.000 -2.143) 4.409 2.058 ( -3.777 0.000 -6.289) 7.336 2.203 ( -4.761 0.000 -2.118) 5.211 2.374 ( -10.395 0.000 4.086) 11.169 2.480 ( -5.185 0.000 -4.474) 6.849 2.520 ( -6.108 0.000 3.767) 7.176 2.561 ( -4.558 0.000 -6.059) 7.582 2.646 ( -0.938 0.000 -0.808) 1.238 2.904 ( -0.661 0.000 10.355) 10.377 2.982 ( -3.822 0.000 15.905) 16.358 3.107 ( -0.767 0.000 -0.639) 0.998 3.152 ( 2.706 0.000 0.400) 2.736 3.340 ( -0.658 0.000 2.405) 2.493 3.402 ( 0.167 0.000 -1.670) 1.678 3.464 ( -4.086 0.000 -2.135) 4.610 3.841 ( -1.829 0.000 -2.053) 2.750 3.967 ( 3.528 0.000 0.989) 3.664 4.034 ( -4.961 0.000 -4.653) 6.802 4.099 ( 3.259 0.000 -2.814) 4.306 4.159 ( 0.287 0.000 -6.227) 6.234 4.227 ( -0.237 0.000 0.092) 0.254 4.326 ( 3.081 0.000 2.968) 4.278 4.504 ( 0.896 0.000 1.024) 1.361 4.584 ( 4.588 0.000 -2.964) 5.462 4.705 ( 0.829 0.000 0.412) 0.926 4.788 ( 2.682 0.000 -2.304) 3.535 4.897 ( 4.495 0.000 1.166) 4.644 5.018 ( 4.235 0.000 -2.794) 5.074 5.096 ( -2.560 0.000 1.353) 2.896 5.109 ( 2.215 0.000 0.805) 2.357 5.192 ( 1.072 0.000 1.701) 2.011 5.373 ( -1.766 0.000 1.758) 2.492 5.419 ( 1.233 0.000 -1.668) 2.075 5.649 ( -1.929 0.000 1.437) 2.405 5.697 ( -4.534 0.000 -1.911) 4.920 5.831 ( -4.729 0.000 -0.475) 4.752 5.853 ( -0.267 0.000 -1.298) 1.325 5.959 ( 2.264 0.000 -2.942) 3.713 6.307 ( -2.233 0.000 1.294) 2.581 6.426 ( 1.580 0.000 3.551) 3.886 6.559 ( -2.980 0.000 4.790) 5.641 6.599 ( 3.266 0.000 2.585) 4.165 6.621 ( -8.251 0.000 1.468) 8.381 6.863 ( -5.231 0.000 -2.843) 5.953 7.038 ( -2.431 0.000 -2.191) 3.272 7.250 ( 2.539 0.000 -3.040) 3.961 7.306 ( -0.968 0.000 -6.118) 6.194 7.692 ( 1.428 0.000 -3.355) 3.646 7.899 ( 2.572 0.000 0.290) 2.589 7.982 ( -1.366 0.000 -0.689) 1.529 8.346 ( 2.997 0.000 -2.912) 4.179 8.813 ( -0.184 0.000 -3.359) 3.364 9.198 ( -0.929 0.000 -4.379) 4.476 9.384 ( -1.806 0.000 -0.364) 1.842 9.940 ( 6.403 0.000 3.834) 7.463 10.143 ( 1.743 0.000 4.006) 4.369 10.378 ( -3.680 0.000 1.474) 3.964 10.621 ( -1.716 0.000 0.904) 1.940 11.917 ( -9.667 0.000 0.072) 9.667 11.931 ( -7.447 0.000 -0.696) 7.480 12.354 ( 3.690 0.000 1.416) 3.953 12.436 ( -0.600 0.000 2.869) 2.931 12.935 ( 0.672 0.000 2.108) 2.213 13.133 ( 1.064 0.000 2.608) 2.817 13.793 ( 2.872 0.000 2.106) 3.562 14.082 ( 1.164 0.000 -1.617) 1.992 14.422 ( 0.462 0.000 0.903) 1.015 14.737 ( 0.919 0.000 -7.956) 8.009 14.962 ( 4.042 0.000 -5.114) 6.519 15.749 ( 4.210 0.000 -3.932) 5.761 16.080 ( 12.765 0.000 5.394) 13.858 16.288 ( 1.152 0.000 3.464) 3.651 19.267 ( 1.534 0.000 -0.372) 1.578 19.695 ( 5.432 0.000 2.802) 6.112 24.681 ( 2.900 0.000 0.653) 2.973 24.863 ( 5.447 0.000 -0.722) 5.494 25.570 ( -3.166 0.000 -0.532) 3.210 25.824 ( -1.406 0.000 -5.284) 5.468 26.094 ( -3.208 0.000 3.712) 4.906 26.511 ( -1.959 0.000 5.767) 6.091 27.079 ( -6.527 0.000 -1.227) 6.641 27.177 ( -14.473 0.000 -6.108) 15.709 28.581 ( -1.533 0.000 -3.752) 4.053 29.001 ( -4.635 0.000 -1.570) 4.893 29.101 ( 3.888 0.000 2.056) 4.398 29.912 ( 5.426 0.000 0.860) 5.493 31.441 ( 3.077 0.000 5.324) 6.149 31.802 ( 8.876 0.000 -0.953) 8.927 ======================= Grid point 165 (89/108) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -2.270 0.465 13.542) 13.739 1.745 ( 2.474 -6.257 -1.979) 7.014 1.790 ( -2.802 -0.340 15.527) 15.782 2.064 ( 0.724 -5.354 1.313) 5.560 2.215 ( 0.017 1.468 1.641) 2.202 2.252 ( -3.773 0.110 -7.298) 8.216 2.406 ( 1.766 1.374 3.440) 4.103 2.469 ( -0.752 2.915 -0.478) 3.048 2.566 ( 1.119 0.765 -3.799) 4.034 2.650 ( -0.125 6.301 -2.678) 6.848 2.969 ( -0.832 0.549 7.409) 7.476 3.038 ( 0.596 -2.918 3.599) 4.672 3.161 ( 0.285 3.557 1.464) 3.856 3.221 ( 0.640 3.353 -1.124) 3.594 3.352 ( 1.887 -1.442 2.891) 3.742 3.381 ( -0.329 -0.036 -1.965) 1.992 3.470 ( 1.926 3.787 8.444) 9.452 3.733 ( -3.083 -1.489 -4.536) 5.683 3.887 ( -2.251 -1.692 0.325) 2.835 3.983 ( 0.329 -2.303 1.119) 2.581 4.041 ( -3.549 -5.142 -1.970) 6.551 4.106 ( 2.786 -5.918 -5.367) 8.461 4.248 ( -0.821 3.938 -2.190) 4.580 4.364 ( 2.483 -0.427 -0.746) 2.628 4.577 ( 1.391 3.170 0.665) 3.524 4.624 ( -0.236 -0.261 -2.034) 2.065 4.741 ( 0.674 3.544 -1.629) 3.959 4.880 ( -0.314 4.095 1.169) 4.270 4.932 ( 0.025 -3.754 -2.579) 4.554 5.008 ( 1.931 -0.777 2.023) 2.902 5.074 ( -0.036 2.446 -2.012) 3.167 5.194 ( -0.078 3.107 2.400) 3.927 5.264 ( 0.607 1.549 -2.514) 3.015 5.358 ( 1.559 -0.107 2.002) 2.540 5.380 ( -3.088 -0.176 -0.337) 3.111 5.599 ( -1.324 -4.639 2.843) 5.600 5.662 ( -2.004 -1.274 3.454) 4.192 5.736 ( 0.440 1.824 1.503) 2.404 5.779 ( -4.142 -1.768 0.189) 4.507 5.917 ( -2.666 -3.333 -1.776) 4.623 6.320 ( 1.095 3.280 -0.192) 3.463 6.459 ( 3.640 -1.268 4.028) 5.575 6.517 ( 1.153 -1.361 -1.184) 2.141 6.613 ( 1.942 -4.941 -0.317) 5.318 6.728 ( 2.594 5.152 3.066) 6.533 6.789 ( -0.331 1.542 -3.132) 3.506 6.992 ( -1.196 0.386 -1.069) 1.650 7.117 ( -1.358 -6.667 -3.132) 7.490 7.338 ( -0.364 3.292 -2.187) 3.969 7.598 ( -1.029 -5.791 -1.340) 6.032 8.019 ( -0.240 7.220 0.371) 7.234 8.152 ( 1.754 12.267 -2.054) 12.561 8.345 ( -0.319 -0.332 -1.651) 1.714 8.737 ( -0.901 -4.215 -2.532) 4.999 9.146 ( -1.389 -1.173 -1.132) 2.142 9.267 ( 0.421 -8.589 -1.115) 8.671 10.086 ( 1.549 2.951 1.055) 3.495 10.163 ( 0.501 -0.061 2.415) 2.467 10.399 ( 1.446 3.289 -0.956) 3.718 10.580 ( 0.614 -3.172 0.629) 3.292 11.800 ( -1.948 0.714 1.757) 2.719 11.830 ( -2.143 -0.473 0.755) 2.321 12.405 ( 0.065 0.823 1.063) 1.346 12.462 ( 1.575 -1.516 0.204) 2.195 12.985 ( 1.100 2.113 0.650) 2.470 13.123 ( 0.825 -3.412 1.077) 3.672 13.898 ( 0.538 4.520 0.398) 4.569 14.065 ( 0.493 -2.152 -1.744) 2.814 14.489 ( -0.862 5.199 1.271) 5.421 14.669 ( -0.899 -2.146 -3.733) 4.399 15.039 ( -0.435 6.823 -2.469) 7.269 15.570 ( -2.858 -13.548 -0.415) 13.852 16.232 ( 0.446 1.067 0.890) 1.459 16.325 ( 1.568 -2.092 3.630) 4.473 19.347 ( -0.258 6.056 -0.007) 6.062 19.678 ( -0.473 -7.399 1.784) 7.626 24.738 ( 0.131 2.021 0.233) 2.038 24.869 ( -0.193 -3.474 -0.167) 3.483 25.576 ( -1.486 4.592 -0.256) 4.834 25.745 ( -1.281 -2.275 -1.720) 3.126 26.175 ( 1.769 6.823 0.731) 7.087 26.459 ( 1.129 -4.337 1.807) 4.832 27.014 ( 0.176 0.527 -0.872) 1.034 27.034 ( -0.384 -0.195 -0.326) 0.540 28.575 ( -1.145 3.076 -1.261) 3.516 28.802 ( -1.177 -7.753 -0.521) 7.859 29.374 ( 1.030 15.047 -0.842) 15.106 29.905 ( 2.115 -7.514 -2.306) 8.140 31.543 ( -0.073 3.960 3.352) 5.189 31.806 ( 0.204 -6.412 -0.761) 6.460 ======================= Grid point 166 (90/108) ======================= q-point: ( 0.10 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 5.412 -1.502 10.482) 11.892 1.764 ( 4.864 -7.350 -6.350) 10.863 1.924 ( 1.774 2.730 16.851) 17.163 2.091 ( 4.131 -0.505 -11.978) 12.681 2.200 ( 1.100 -1.978 5.830) 6.253 2.289 ( 5.819 -0.730 0.572) 5.893 2.455 ( 4.893 4.079 -2.410) 6.811 2.486 ( 3.215 -0.777 -1.247) 3.535 2.640 ( 6.979 4.362 -1.108) 8.304 2.685 ( 4.546 3.593 0.409) 5.809 2.988 ( -1.310 -1.032 2.726) 3.196 3.034 ( -2.384 -2.760 3.214) 4.861 3.161 ( -0.438 2.081 -1.208) 2.446 3.245 ( 3.404 1.435 -2.880) 4.684 3.339 ( 0.227 2.588 -2.295) 3.466 3.424 ( 3.241 -1.499 -1.600) 3.913 3.602 ( 1.037 1.310 1.475) 2.229 3.690 ( 4.125 0.544 3.805) 5.638 3.865 ( -2.746 -2.062 3.727) 5.067 3.972 ( -0.754 -2.344 0.037) 2.463 4.002 ( 0.513 -2.956 1.212) 3.236 4.120 ( -0.464 -5.331 -0.277) 5.358 4.212 ( 0.674 4.498 -1.266) 4.721 4.407 ( 1.513 -1.993 -3.903) 4.636 4.519 ( -3.673 2.543 -0.375) 4.483 4.614 ( -1.923 2.895 -1.165) 3.665 4.734 ( 0.011 2.525 -1.369) 2.872 4.832 ( -4.478 4.854 -0.509) 6.623 4.918 ( -0.034 -2.923 -0.862) 3.048 5.010 ( -5.117 1.616 -0.594) 5.399 5.053 ( -0.270 -1.738 -1.732) 2.469 5.188 ( -3.532 1.426 -0.370) 3.827 5.220 ( -0.717 -0.729 -0.086) 1.026 5.342 ( -0.778 -2.034 -0.486) 2.232 5.426 ( 2.957 1.729 3.343) 4.787 5.586 ( -2.248 -3.490 5.817) 7.146 5.653 ( -1.895 0.795 1.292) 2.427 5.730 ( 1.385 -1.313 2.696) 3.303 5.824 ( 1.656 0.637 5.012) 5.317 5.898 ( 2.821 -2.588 1.128) 3.992 6.339 ( 1.301 2.060 -0.858) 2.583 6.500 ( -0.130 1.945 -4.702) 5.090 6.573 ( 4.655 -4.973 -0.413) 6.825 6.637 ( 3.197 -2.193 -4.262) 5.762 6.756 ( 0.926 3.166 -2.996) 4.456 6.843 ( 5.138 1.402 -2.019) 5.696 7.003 ( 2.613 -0.150 1.377) 2.957 7.091 ( -0.170 -4.518 2.304) 5.075 7.322 ( -0.106 3.500 -0.211) 3.508 7.581 ( -0.629 -5.679 1.344) 5.870 8.009 ( -1.047 7.605 0.388) 7.686 8.136 ( -0.810 11.528 -3.463) 12.064 8.300 ( -3.646 -0.948 -0.098) 3.768 8.710 ( -1.820 -6.452 0.690) 6.739 9.131 ( 0.586 0.074 1.523) 1.633 9.298 ( 2.875 -7.324 -0.442) 7.880 10.041 ( -4.871 4.161 -1.839) 6.665 10.171 ( -1.851 -1.001 -0.390) 2.140 10.453 ( 5.784 2.331 -2.736) 6.810 10.605 ( 2.336 -3.058 -1.013) 3.979 11.883 ( 7.239 0.127 3.731) 8.145 11.887 ( 6.904 0.092 3.895) 7.928 12.375 ( -3.450 1.614 0.231) 3.816 12.469 ( 0.345 -1.984 -2.102) 2.911 13.005 ( 1.522 2.072 -2.128) 3.338 13.136 ( 0.688 -3.183 -1.287) 3.502 13.871 ( -2.890 4.348 -0.765) 5.277 14.046 ( -1.547 -2.576 -1.169) 3.224 14.467 ( -2.512 4.477 1.620) 5.384 14.634 ( -1.825 -2.177 0.341) 2.861 14.989 ( -3.898 7.126 0.118) 8.124 15.491 ( -6.912 -12.226 5.018) 14.914 16.172 ( -6.144 2.715 -0.842) 6.770 16.324 ( -2.651 -3.125 -1.094) 4.241 19.322 ( -2.405 5.626 0.453) 6.135 19.629 ( -5.307 -6.664 1.421) 8.637 24.710 ( -2.855 1.753 -0.221) 3.357 24.821 ( -4.440 -2.754 0.238) 5.230 25.571 ( -0.020 4.082 2.772) 4.934 25.736 ( 0.032 -2.379 1.459) 2.791 26.245 ( 6.209 6.585 -3.105) 9.569 26.542 ( 6.484 -4.936 -2.327) 8.474 27.075 ( 6.133 0.491 -0.395) 6.165 27.099 ( 7.481 -0.330 1.227) 7.588 28.565 ( -0.046 3.282 1.775) 3.731 28.808 ( 1.258 -8.382 2.022) 8.714 29.367 ( -0.505 14.928 -2.181) 15.095 29.889 ( -1.397 -7.402 -4.468) 8.759 31.517 ( -4.042 3.375 1.232) 5.408 31.737 ( -6.651 -5.202 -0.365) 8.452 ======================= Grid point 167 (91/108) ======================= q-point: ( 0.20 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 5.674 -1.383 1.594) 6.053 1.856 ( 8.111 -4.624 -1.819) 9.512 1.991 ( 1.998 3.273 0.620) 3.885 2.162 ( 5.985 0.371 -0.959) 6.073 2.295 ( 5.329 0.804 2.624) 5.994 2.366 ( 2.823 -2.093 1.193) 3.711 2.553 ( 5.848 -1.972 -5.760) 8.442 2.622 ( 9.005 -2.028 0.727) 9.259 2.755 ( 5.640 5.228 0.283) 7.695 2.816 ( 7.382 2.531 1.884) 8.028 2.942 ( -1.516 0.675 -1.207) 2.052 3.038 ( 0.795 -2.289 1.365) 2.781 3.134 ( -1.316 2.181 -0.759) 2.658 3.287 ( 2.585 1.321 -2.405) 3.770 3.367 ( 2.876 2.704 -1.348) 4.171 3.467 ( 1.411 0.018 -1.455) 2.027 3.594 ( 1.904 -1.925 -3.260) 4.237 3.746 ( -1.756 -6.400 2.279) 7.017 3.846 ( -0.553 0.021 2.215) 2.284 3.971 ( -2.022 -2.390 -0.239) 3.140 4.048 ( 1.956 -1.088 1.473) 2.679 4.124 ( 1.742 0.576 2.810) 3.356 4.274 ( 3.498 2.955 1.425) 4.796 4.353 ( -1.771 0.495 -4.779) 5.120 4.482 ( -1.047 0.843 1.664) 2.140 4.564 ( -2.134 2.601 -1.287) 3.602 4.701 ( -4.117 4.397 -0.756) 6.071 4.749 ( -3.222 2.022 -0.165) 3.807 4.837 ( -6.945 0.051 -1.774) 7.168 4.948 ( -0.748 0.265 -1.414) 1.621 5.016 ( -3.106 -0.240 1.107) 3.306 5.116 ( -2.229 -3.637 0.086) 4.266 5.189 ( -2.468 -0.684 -1.704) 3.077 5.294 ( -1.700 -4.021 -1.571) 4.640 5.505 ( 2.097 4.405 2.930) 5.691 5.604 ( -2.949 0.330 2.441) 3.842 5.623 ( -0.840 -1.655 7.016) 7.257 5.734 ( -2.370 -3.865 1.455) 4.762 5.903 ( 3.858 -0.458 1.727) 4.251 6.027 ( 8.761 -1.344 1.781) 9.041 6.340 ( -0.498 1.592 -2.318) 2.855 6.472 ( -0.746 -0.527 -5.182) 5.262 6.584 ( 1.515 0.312 -1.411) 2.093 6.712 ( 3.662 -1.034 -3.113) 4.916 6.766 ( 1.068 2.445 -0.684) 2.755 6.919 ( 6.072 -1.244 2.385) 6.641 7.080 ( 2.980 0.099 2.464) 3.868 7.150 ( 4.354 -0.436 2.106) 4.856 7.348 ( 2.457 3.936 0.336) 4.652 7.580 ( -0.769 -4.451 0.926) 4.611 7.992 ( -0.871 7.408 0.689) 7.491 8.107 ( 0.288 7.411 -3.310) 8.122 8.226 ( -4.055 -0.275 1.675) 4.396 8.658 ( -4.387 -9.112 1.196) 10.184 9.202 ( 5.032 1.725 3.505) 6.371 9.365 ( 4.131 -4.785 1.032) 6.405 9.918 ( -5.789 3.914 -2.916) 7.572 10.073 ( -6.955 -1.897 -2.377) 7.591 10.574 ( 8.483 0.738 -3.746) 9.302 10.657 ( 3.991 -2.164 -1.953) 4.942 12.014 ( 3.205 1.432 1.209) 3.713 12.107 ( 10.089 -2.548 2.377) 10.674 12.332 ( 1.165 4.208 2.187) 4.884 12.486 ( 3.674 -2.260 0.509) 4.343 13.017 ( 2.214 1.916 -5.036) 5.825 13.135 ( 1.080 -2.848 -3.652) 4.755 13.806 ( -2.920 4.351 -0.527) 5.267 14.006 ( -2.066 -3.370 0.863) 4.046 14.416 ( -3.938 3.647 1.400) 5.548 14.591 ( -4.188 -3.144 2.679) 5.882 14.905 ( -5.509 7.632 2.243) 9.676 15.363 ( -10.899 -10.427 6.062) 16.256 16.012 ( -8.646 4.431 -3.898) 10.468 16.228 ( -5.750 -4.025 -2.784) 7.550 19.273 ( -2.885 4.679 0.677) 5.538 19.523 ( -6.080 -5.111 0.986) 8.004 24.642 ( -3.676 1.388 -0.635) 3.980 24.727 ( -5.200 -1.953 -0.034) 5.554 25.598 ( -0.059 3.211 4.705) 5.697 25.746 ( -0.832 -2.482 3.204) 4.137 26.345 ( 7.184 5.815 -7.108) 11.659 26.611 ( 3.957 -4.327 -8.390) 10.236 27.235 ( 10.336 1.209 2.003) 10.598 27.335 ( 13.897 -2.848 6.775) 15.721 28.597 ( 1.243 4.184 4.630) 6.363 28.861 ( 2.030 -8.468 3.158) 9.263 29.342 ( 0.117 13.713 -3.033) 14.045 29.807 ( -3.454 -6.514 -5.721) 9.332 31.421 ( -5.953 2.463 -0.622) 6.472 31.577 ( -9.480 -3.553 -0.562) 10.140 ======================= Grid point 168 (92/108) ======================= q-point: ( 0.30 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 4.660 1.306 -3.396) 5.912 2.006 ( 7.097 -4.092 -0.877) 8.239 2.079 ( 7.887 3.601 -1.455) 8.791 2.262 ( 5.464 -0.628 0.079) 5.501 2.387 ( 2.656 -0.250 3.032) 4.038 2.466 ( 4.714 -3.748 -0.542) 6.046 2.572 ( 0.828 2.688 -3.298) 4.334 2.706 ( 3.108 -0.844 -1.338) 3.488 2.859 ( 3.349 -1.128 -0.794) 3.622 2.932 ( 4.690 1.878 -2.179) 5.502 3.000 ( 5.372 0.613 -0.190) 5.410 3.044 ( 0.962 -1.958 -3.224) 3.892 3.143 ( 1.659 1.006 5.677) 6.000 3.296 ( -0.084 2.848 -2.589) 3.850 3.413 ( 2.669 -1.193 -2.084) 3.590 3.450 ( -1.362 0.864 -1.771) 2.395 3.589 ( -2.262 -2.227 0.343) 3.193 3.752 ( 0.859 -5.094 -0.705) 5.214 3.848 ( -0.228 -0.427 1.731) 1.798 3.943 ( -0.840 -3.029 1.429) 3.452 4.035 ( -1.925 0.194 -1.423) 2.402 4.169 ( 0.089 -0.216 1.905) 1.920 4.287 ( 0.180 3.439 -4.310) 5.516 4.315 ( -1.815 4.056 -2.376) 5.039 4.473 ( -4.603 3.483 1.220) 5.899 4.515 ( -1.776 0.095 -1.567) 2.370 4.598 ( -4.090 6.027 2.531) 7.711 4.690 ( -3.174 -1.437 -2.936) 4.556 4.743 ( -0.957 -1.563 -0.500) 1.899 4.887 ( -3.653 0.917 -1.184) 3.948 4.985 ( -1.602 1.588 4.275) 4.833 5.093 ( -3.126 -2.035 -0.402) 3.752 5.132 ( -0.009 -1.515 1.989) 2.500 5.321 ( 3.111 -7.014 -1.467) 7.812 5.511 ( -2.664 1.751 2.903) 4.312 5.560 ( -1.325 0.887 -0.226) 1.611 5.641 ( -1.694 0.940 4.143) 4.574 5.724 ( 1.327 -0.030 1.484) 1.991 5.978 ( 3.156 -1.100 -0.379) 3.364 6.107 ( -1.932 -3.165 -3.096) 4.831 6.370 ( 5.980 0.112 -0.836) 6.039 6.428 ( 0.748 -2.167 -1.343) 2.657 6.640 ( 3.900 0.917 -1.135) 4.164 6.681 ( -2.497 -0.429 -1.277) 2.838 6.855 ( 5.816 5.922 2.983) 8.821 7.049 ( 2.929 -1.280 5.822) 6.642 7.166 ( 3.999 1.567 4.507) 6.226 7.241 ( 2.714 0.033 2.564) 3.734 7.396 ( 3.192 2.097 -2.666) 4.658 7.551 ( -1.871 -2.068 -1.303) 3.078 7.992 ( 0.291 7.246 1.014) 7.323 8.102 ( 0.743 2.857 -1.676) 3.395 8.188 ( -0.965 0.380 1.356) 1.708 8.576 ( -4.513 -8.864 0.844) 9.982 9.346 ( 6.914 1.468 4.668) 8.470 9.461 ( 4.842 -3.013 1.737) 5.961 9.807 ( -3.981 2.201 -2.756) 5.319 9.914 ( -7.466 -1.757 -3.156) 8.294 10.676 ( 4.370 0.504 -4.758) 6.480 10.738 ( 6.017 -1.701 -1.488) 6.427 11.976 ( -4.383 3.740 -3.833) 6.920 12.193 ( 0.776 -5.346 -1.627) 5.642 12.509 ( 11.392 4.390 4.585) 13.041 12.641 ( 8.350 -1.348 7.532) 11.325 13.027 ( 3.033 1.804 -6.606) 7.490 13.145 ( 3.440 -2.832 -4.774) 6.531 13.769 ( -1.055 4.434 0.882) 4.642 13.995 ( -0.168 -4.224 2.512) 4.917 14.341 ( -4.636 2.853 1.093) 5.552 14.505 ( -6.616 -3.572 2.727) 7.998 14.823 ( -4.753 6.732 3.212) 8.844 15.163 ( -12.701 -6.882 2.763) 14.707 15.821 ( -8.215 5.360 -5.311) 11.154 16.091 ( -6.488 -5.152 -2.637) 8.694 19.231 ( -1.877 3.847 0.697) 4.336 19.432 ( -4.033 -3.899 0.972) 5.693 24.575 ( -2.842 1.031 -0.789) 3.125 24.637 ( -4.105 -1.361 -0.466) 4.350 25.620 ( -0.934 2.361 5.156) 5.747 25.743 ( -1.629 -2.344 3.443) 4.472 26.413 ( 5.428 4.278 -8.773) 11.169 26.596 ( 1.464 -2.698 -10.816) 11.243 27.472 ( 12.048 1.785 4.595) 13.017 27.642 ( 11.775 -5.125 9.319) 15.867 28.663 ( 1.693 4.901 6.370) 8.214 28.904 ( 0.589 -6.010 1.712) 6.276 29.350 ( 2.582 9.657 -2.127) 10.220 29.701 ( -3.469 -5.020 -6.306) 8.775 31.304 ( -5.430 1.502 -1.450) 5.818 31.397 ( -8.629 -2.070 -1.105) 8.942 ======================= Grid point 169 (93/108) ======================= q-point: ( 0.40 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 4.314 2.604 -2.156) 5.481 2.077 ( 1.027 -3.655 -1.904) 4.247 2.242 ( 7.848 2.743 0.488) 8.328 2.370 ( 5.448 1.042 -0.681) 5.588 2.418 ( -1.554 -1.427 3.139) 3.782 2.486 ( 1.631 -3.086 -0.201) 3.496 2.609 ( 3.284 4.759 -3.152) 6.585 2.801 ( 5.773 1.266 0.413) 5.925 2.856 ( -1.428 -3.472 -2.157) 4.330 2.976 ( 1.936 -2.850 -3.312) 4.779 3.000 ( 0.541 2.667 0.023) 2.722 3.116 ( 2.359 -1.570 -1.994) 3.465 3.212 ( 1.119 -3.796 1.333) 4.176 3.281 ( 0.405 0.661 -0.140) 0.788 3.389 ( -1.775 -2.661 -3.309) 4.603 3.420 ( -1.455 -0.590 -2.566) 3.008 3.538 ( -2.249 0.344 -1.817) 2.912 3.752 ( 0.375 -4.416 0.137) 4.434 3.860 ( 0.727 0.648 -0.028) 0.974 3.927 ( -1.777 -1.549 2.062) 3.132 4.018 ( 0.132 1.969 0.305) 1.997 4.142 ( -3.669 0.181 0.066) 3.674 4.221 ( -3.699 3.135 -3.212) 5.817 4.239 ( -4.077 2.726 -2.361) 5.443 4.412 ( -3.373 4.115 1.378) 5.497 4.426 ( -3.334 4.230 3.445) 6.393 4.573 ( -1.222 -1.141 -1.568) 2.292 4.638 ( -0.317 -2.078 -3.790) 4.334 4.759 ( 1.568 2.015 1.488) 2.956 4.846 ( 0.023 1.726 -1.476) 2.272 5.006 ( -0.713 1.137 8.217) 8.326 5.069 ( 1.309 -2.898 -0.898) 3.304 5.137 ( -2.007 0.093 2.344) 3.088 5.300 ( -3.074 -5.028 -1.460) 6.072 5.507 ( -2.979 0.327 3.620) 4.699 5.532 ( 0.684 0.528 0.124) 0.873 5.683 ( 4.185 2.335 -0.409) 4.810 5.743 ( -0.200 0.383 -0.415) 0.599 6.005 ( 0.779 -0.994 -2.211) 2.546 6.044 ( -1.295 -1.592 -0.636) 2.149 6.419 ( 0.226 -1.848 -0.503) 1.929 6.494 ( 2.805 -3.489 -0.527) 4.508 6.659 ( 1.238 1.593 1.516) 2.523 6.723 ( 5.346 -1.434 0.925) 5.612 6.979 ( 4.981 5.384 2.178) 7.652 7.113 ( 1.028 0.638 4.183) 4.354 7.237 ( -1.700 -0.386 2.701) 3.215 7.255 ( -0.949 -0.108 1.577) 1.844 7.431 ( 3.166 2.654 -3.017) 5.115 7.530 ( 0.426 -0.244 -0.198) 0.529 8.005 ( 0.207 7.431 1.038) 7.506 8.117 ( 1.546 0.852 -0.740) 1.914 8.194 ( 0.797 0.224 -0.271) 0.871 8.513 ( -2.618 -7.857 0.719) 8.312 9.497 ( 5.664 0.607 4.193) 7.073 9.556 ( 3.813 -1.659 1.792) 4.528 9.734 ( -2.135 0.316 -2.645) 3.414 9.770 ( -5.580 -0.910 -3.000) 6.401 10.704 ( 1.990 1.547 -3.598) 4.393 10.823 ( 3.404 -3.220 -1.574) 4.943 11.863 ( -4.544 6.157 -3.033) 8.231 12.181 ( -0.756 -6.668 -0.691) 6.746 12.708 ( 5.508 3.016 4.762) 7.881 12.805 ( 4.016 -1.026 4.525) 6.136 13.056 ( 4.158 2.972 -5.486) 7.498 13.227 ( 7.667 -3.609 -3.123) 9.031 13.773 ( 0.392 4.405 1.564) 4.691 14.018 ( 0.346 -4.880 2.394) 5.447 14.269 ( -3.227 2.353 0.934) 4.102 14.394 ( -6.051 -2.541 1.501) 6.732 14.780 ( -1.554 3.803 2.964) 5.066 14.957 ( -9.244 -3.206 0.167) 9.785 15.651 ( -6.175 6.123 -4.567) 9.822 15.967 ( -4.897 -5.985 -1.733) 7.924 19.213 ( -0.470 3.311 0.486) 3.380 19.385 ( -1.776 -3.262 1.079) 3.868 24.530 ( -1.391 0.696 -0.669) 1.693 24.572 ( -2.398 -0.898 -0.542) 2.617 25.631 ( -1.139 1.832 4.632) 5.109 25.736 ( -0.933 -2.241 2.561) 3.529 26.440 ( 2.994 2.686 -7.064) 8.128 26.542 ( -0.285 -1.196 -9.314) 9.395 27.718 ( 10.220 1.066 4.858) 11.367 27.856 ( 4.879 -4.525 7.059) 9.701 28.730 ( 1.034 4.425 6.064) 7.578 28.909 ( -0.291 -3.157 0.052) 3.171 29.398 ( 2.717 5.110 -0.359) 5.799 29.609 ( -1.700 -3.142 -6.291) 7.235 31.212 ( -3.202 0.654 -1.144) 3.462 31.253 ( -5.701 -0.931 -0.908) 5.847 ======================= Grid point 170 (94/108) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 1.748 1.008 0.148) 2.023 2.027 ( -3.319 -0.110 -0.748) 3.404 2.306 ( -2.467 -0.504 2.376) 3.462 2.389 ( 1.113 0.389 -2.008) 2.328 2.465 ( -0.277 -0.076 1.022) 1.062 2.530 ( 2.555 0.074 2.790) 3.784 2.617 ( -2.613 3.951 -4.029) 6.219 2.789 ( -0.777 -1.674 1.718) 2.521 2.872 ( -2.396 -2.197 3.497) 4.775 3.015 ( 2.536 -2.896 -3.197) 5.004 3.030 ( 1.106 0.339 1.154) 1.634 3.086 ( -1.772 -0.491 -1.940) 2.672 3.143 ( -4.681 -0.257 -4.056) 6.199 3.298 ( 2.035 -2.195 -0.753) 3.087 3.350 ( 0.116 -4.203 -3.451) 5.440 3.424 ( 2.621 -4.044 -0.915) 4.905 3.502 ( 0.295 3.378 -1.844) 3.860 3.755 ( -0.292 -4.822 -1.588) 5.085 3.892 ( 0.728 2.170 2.297) 3.243 3.922 ( 0.044 -1.080 0.672) 1.273 4.014 ( -0.502 3.232 0.362) 3.291 4.062 ( -1.738 1.351 1.065) 2.445 4.154 ( -1.890 4.574 -0.056) 4.949 4.194 ( 0.592 0.777 -1.658) 1.924 4.376 ( -0.275 3.743 3.196) 4.930 4.452 ( 1.031 0.473 4.478) 4.620 4.543 ( -0.645 -0.619 -2.551) 2.703 4.606 ( 0.225 -1.929 -4.625) 5.016 4.783 ( -0.572 3.695 2.475) 4.485 4.847 ( 0.711 1.548 -2.877) 3.344 5.027 ( -1.688 1.450 5.480) 5.915 5.103 ( -0.343 -0.077 0.724) 0.805 5.139 ( 4.246 -2.389 2.472) 5.463 5.247 ( -1.574 -3.417 -2.113) 4.315 5.455 ( -2.953 1.915 2.468) 4.298 5.555 ( -0.824 0.180 3.774) 3.867 5.720 ( -0.915 -0.044 -1.225) 1.530 5.737 ( 0.796 -1.181 -1.186) 1.853 5.996 ( -2.525 1.112 1.509) 3.145 6.041 ( 2.362 -0.209 -2.476) 3.428 6.405 ( -0.719 -1.329 -0.244) 1.531 6.502 ( -0.108 -4.820 -0.392) 4.837 6.728 ( 1.586 0.755 2.927) 3.413 6.796 ( 0.458 -1.292 -0.124) 1.377 7.048 ( 1.572 2.484 -0.594) 2.999 7.131 ( -0.757 -1.895 0.856) 2.213 7.207 ( 0.816 2.703 2.045) 3.486 7.241 ( -1.088 1.751 -0.157) 2.067 7.468 ( 0.698 2.526 -2.197) 3.420 7.549 ( 2.106 -1.132 -0.701) 2.491 8.020 ( 1.332 8.497 -0.104) 8.601 8.134 ( 0.691 0.679 -1.481) 1.770 8.203 ( 0.142 -0.217 -0.396) 0.474 8.492 ( 0.108 -7.291 0.557) 7.313 9.604 ( 3.174 -0.047 3.412) 4.660 9.626 ( 2.387 -0.670 2.283) 3.370 9.663 ( -3.843 -0.025 -2.486) 4.577 9.684 ( -1.369 -0.981 -3.701) 4.066 10.706 ( -0.279 1.556 -1.522) 2.195 10.840 ( -0.538 -4.020 -1.085) 4.198 11.787 ( -2.445 7.630 0.681) 8.041 12.160 ( -1.915 -7.405 1.659) 7.827 12.775 ( -0.821 2.230 4.952) 5.493 12.860 ( 1.136 -1.538 -0.825) 2.083 13.089 ( 1.735 4.736 -4.507) 6.764 13.316 ( 1.191 -4.425 -2.383) 5.166 13.793 ( 0.777 4.225 0.471) 4.322 14.036 ( 0.902 -4.972 0.746) 5.108 14.244 ( -0.441 1.912 1.640) 2.557 14.325 ( -1.318 -1.273 1.638) 2.458 14.812 ( 3.224 0.706 0.873) 3.414 14.848 ( -1.395 -0.615 -1.074) 1.865 15.550 ( -2.101 6.954 -1.253) 7.372 15.901 ( -1.199 -6.515 0.113) 6.625 19.215 ( 0.482 3.062 -0.167) 3.104 19.374 ( -0.169 -3.002 0.929) 3.147 24.513 ( -0.034 0.507 -0.400) 0.647 24.544 ( -0.185 -0.644 -0.208) 0.702 25.641 ( -0.571 1.766 3.700) 4.140 25.746 ( 0.822 -2.310 0.936) 2.625 26.440 ( 0.502 1.296 -3.277) 3.560 26.471 ( -2.131 0.080 -5.761) 6.143 27.879 ( 0.923 -0.874 2.603) 2.896 27.921 ( 2.115 -2.088 2.140) 3.662 28.777 ( 0.643 3.227 3.787) 5.017 28.902 ( -0.485 -1.905 0.125) 1.970 29.422 ( -0.712 3.426 0.892) 3.611 29.566 ( 1.235 -2.080 -5.879) 6.357 31.175 ( -1.062 0.024 0.020) 1.063 31.181 ( -0.783 -0.186 0.377) 0.888 ======================= Grid point 171 (95/108) ======================= q-point: (-0.40 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -7.257 1.928 0.945) 7.568 2.038 ( -1.487 -3.427 1.887) 4.185 2.203 ( -10.694 3.074 3.573) 11.686 2.360 ( -5.014 1.197 -0.905) 5.234 2.426 ( -3.292 -3.181 2.398) 5.168 2.499 ( -1.785 -1.749 -1.461) 2.895 2.586 ( -1.375 1.632 1.328) 2.514 2.779 ( -3.284 2.322 3.118) 5.089 2.812 ( -4.959 -4.873 2.789) 7.492 2.939 ( -3.356 -2.107 -0.848) 4.052 3.029 ( -1.521 3.117 -3.041) 4.613 3.068 ( 1.532 2.140 2.439) 3.588 3.169 ( 0.613 -2.393 2.479) 3.499 3.310 ( 1.140 1.036 -2.550) 2.979 3.378 ( 3.682 -6.301 -2.094) 7.593 3.445 ( 1.104 -1.060 -4.101) 4.377 3.523 ( 2.763 0.931 -0.916) 3.056 3.721 ( -2.325 -4.787 0.979) 5.411 3.878 ( -2.430 3.321 0.411) 4.136 3.929 ( 1.248 0.313 1.553) 2.017 4.022 ( -1.347 0.936 1.021) 1.932 4.122 ( 5.079 0.166 1.868) 5.414 4.158 ( 1.689 3.929 2.491) 4.949 4.224 ( 2.203 1.453 0.255) 2.652 4.431 ( 4.397 2.798 0.390) 5.226 4.468 ( -1.163 2.003 -0.751) 2.435 4.549 ( 2.657 -0.865 1.572) 3.206 4.613 ( 3.450 -1.085 -2.442) 4.364 4.786 ( -0.045 1.809 1.021) 2.078 4.826 ( -0.561 1.429 -1.729) 2.312 5.015 ( -1.270 0.455 3.212) 3.484 5.157 ( 0.307 -2.821 -3.528) 4.528 5.170 ( 1.340 -1.546 -1.807) 2.730 5.251 ( 3.887 -2.254 2.073) 4.948 5.458 ( 0.164 1.601 5.611) 5.837 5.533 ( -3.166 -0.965 2.647) 4.238 5.691 ( -3.153 2.461 -0.885) 4.097 5.724 ( 0.746 1.107 1.287) 1.854 5.962 ( -1.522 -1.397 1.560) 2.589 6.053 ( -0.405 -2.624 -1.055) 2.857 6.398 ( -0.800 0.556 1.060) 1.440 6.496 ( -1.105 -2.462 -0.525) 2.749 6.675 ( -5.303 0.447 -0.093) 5.322 6.774 ( -1.976 -2.931 -2.445) 4.298 7.008 ( -4.259 5.408 -1.761) 7.106 7.151 ( -0.051 -1.337 0.135) 1.345 7.238 ( 2.765 1.889 1.667) 3.741 7.283 ( 4.363 0.331 -0.728) 4.435 7.420 ( -3.331 2.404 -2.243) 4.680 7.572 ( 0.513 -3.203 -3.398) 4.698 8.050 ( 2.250 9.223 -3.019) 9.962 8.120 ( -0.948 1.297 -1.726) 2.357 8.199 ( 0.330 -0.433 -0.494) 0.735 8.524 ( 3.083 -7.020 -0.167) 7.669 9.567 ( -4.456 0.369 -3.128) 5.457 9.610 ( -3.010 -1.172 -3.280) 4.603 9.680 ( 1.968 -0.062 2.840) 3.456 9.708 ( 4.387 -1.000 2.727) 5.261 10.667 ( -3.248 1.923 0.199) 3.780 10.799 ( -3.529 -3.377 0.443) 4.904 11.788 ( 0.811 6.553 4.783) 8.154 12.131 ( -2.955 -7.311 4.089) 8.882 12.748 ( -5.429 3.467 2.652) 6.967 12.851 ( -1.113 -1.127 -1.653) 2.289 13.053 ( -1.953 2.845 -4.750) 5.871 13.218 ( -8.419 -3.623 -2.837) 9.595 13.798 ( -0.134 4.713 -0.960) 4.812 14.052 ( 0.139 -4.729 -0.784) 4.796 14.277 ( 3.510 1.700 0.681) 3.959 14.392 ( 6.623 -2.215 2.601) 7.453 14.843 ( 3.455 2.261 -3.846) 5.643 14.945 ( 8.811 -1.600 0.485) 8.969 15.567 ( 3.132 6.882 3.665) 8.402 15.928 ( 3.119 -6.910 2.312) 7.926 19.227 ( 1.100 3.164 -0.919) 3.473 19.389 ( 1.203 -3.048 0.741) 3.360 24.523 ( 1.296 0.699 -0.042) 1.473 24.563 ( 2.196 -0.836 0.258) 2.364 25.657 ( 0.215 2.184 2.442) 3.283 25.778 ( 2.700 -2.518 -1.386) 3.944 26.387 ( -4.003 1.382 -1.880) 4.634 26.425 ( -1.589 -0.134 2.004) 2.561 27.779 ( -9.109 1.546 -1.420) 9.347 27.958 ( -0.867 -5.799 -3.141) 6.652 28.801 ( 0.512 3.722 0.135) 3.760 28.894 ( -0.608 -0.711 0.875) 1.281 29.389 ( -3.200 3.991 1.108) 5.234 29.574 ( 2.789 -2.873 -3.848) 5.553 31.180 ( 1.491 0.756 1.928) 2.552 31.225 ( 4.119 -0.969 1.966) 4.666 ======================= Grid point 172 (96/108) ======================= q-point: (-0.30 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -8.629 1.975 5.663) 10.509 1.945 ( -11.425 0.988 5.808) 12.854 2.004 ( -9.621 -1.707 3.265) 10.302 2.232 ( -7.525 -0.271 2.764) 8.021 2.390 ( -3.797 -6.180 4.692) 8.638 2.471 ( -1.136 -5.050 -2.212) 5.629 2.556 ( -1.605 3.433 0.093) 3.791 2.710 ( -3.034 2.505 -0.209) 3.940 2.804 ( 0.094 0.668 3.990) 4.047 2.877 ( -4.994 -2.253 1.601) 5.708 2.982 ( -2.106 2.196 -0.135) 3.046 3.059 ( -4.297 0.370 -2.140) 4.815 3.160 ( -2.339 4.120 5.705) 7.416 3.286 ( -1.341 2.678 -5.328) 6.112 3.404 ( -0.576 -2.961 -0.529) 3.063 3.447 ( 1.103 -0.688 -2.148) 2.511 3.569 ( -1.228 -1.353 2.091) 2.777 3.704 ( 1.580 -1.109 2.970) 3.542 3.874 ( 1.820 -0.572 -0.263) 1.926 3.971 ( -0.729 -4.220 0.237) 4.289 3.988 ( 0.772 2.049 3.776) 4.365 4.185 ( -1.522 -0.984 2.514) 3.099 4.192 ( 0.613 3.443 1.446) 3.784 4.274 ( 2.305 0.828 0.518) 2.503 4.459 ( -0.189 1.022 4.154) 4.283 4.518 ( 5.228 1.918 -2.669) 6.175 4.636 ( 4.840 2.504 -1.110) 5.561 4.699 ( 7.233 1.847 -2.825) 7.982 4.786 ( 1.364 -1.810 -3.634) 4.283 4.851 ( 3.177 0.582 1.903) 3.749 5.038 ( 1.596 0.683 2.201) 2.803 5.087 ( -0.843 -1.690 -3.836) 4.276 5.194 ( -0.396 -2.721 -2.635) 3.809 5.299 ( -1.431 -6.107 0.067) 6.273 5.489 ( -0.002 1.861 3.362) 3.842 5.538 ( 2.137 0.270 3.208) 3.864 5.660 ( 1.116 3.063 1.630) 3.645 5.754 ( 1.330 1.183 -0.457) 1.838 5.947 ( -2.121 -1.693 2.843) 3.930 6.049 ( 0.545 -4.751 2.437) 5.367 6.357 ( -4.555 2.138 0.462) 5.053 6.434 ( -3.426 -0.371 -1.145) 3.631 6.613 ( -2.649 0.606 1.057) 2.916 6.708 ( -1.848 -2.210 -3.683) 4.676 6.899 ( -5.800 6.796 -1.072) 8.999 7.118 ( -2.818 -1.810 -1.064) 3.514 7.244 ( -4.833 1.009 -4.044) 6.382 7.319 ( 1.419 0.388 -3.079) 3.412 7.390 ( 0.401 -0.210 -2.906) 2.941 7.536 ( -0.084 -3.450 -0.393) 3.474 8.043 ( -0.089 8.127 -4.053) 9.081 8.089 ( -1.408 3.301 -0.715) 3.659 8.231 ( 3.979 0.309 -2.790) 4.870 8.601 ( 5.546 -7.355 -1.557) 9.342 9.442 ( -5.940 0.709 -5.105) 7.864 9.517 ( -4.158 -2.077 -4.165) 6.241 9.743 ( 2.880 1.398 3.687) 4.883 9.834 ( 6.303 -1.959 4.906) 8.224 10.599 ( -5.064 2.241 2.701) 6.162 10.716 ( -5.308 -2.235 0.679) 5.799 11.871 ( 3.629 3.815 6.913) 8.690 12.109 ( -2.643 -6.116 6.205) 9.105 12.588 ( -11.054 5.485 -2.154) 12.526 12.766 ( -8.358 -2.063 -3.703) 9.371 12.969 ( -3.273 1.580 -2.462) 4.390 13.076 ( -3.607 -2.708 1.213) 4.671 13.788 ( 0.134 5.310 -0.928) 5.392 14.038 ( -0.294 -4.009 -1.283) 4.219 14.365 ( 5.131 2.715 -0.663) 5.843 14.559 ( 9.261 -4.266 -1.526) 10.310 14.900 ( 5.428 5.312 -5.213) 9.211 15.156 ( 12.489 -4.909 2.605) 13.670 15.699 ( 6.761 6.231 6.858) 11.470 16.034 ( 5.680 -6.852 3.307) 9.494 19.248 ( 1.899 3.678 -1.062) 4.273 19.432 ( 2.947 -3.466 1.010) 4.661 24.563 ( 2.846 1.112 0.318) 3.072 24.626 ( 4.189 -1.345 0.535) 4.432 25.675 ( 0.398 2.990 0.562) 3.068 25.820 ( 3.300 -2.678 -4.241) 6.004 26.298 ( -5.467 2.864 2.131) 6.529 26.417 ( -2.128 -1.707 7.081) 7.589 27.553 ( -12.688 2.819 -3.472) 13.453 27.821 ( -9.733 -8.666 -8.889) 15.775 28.783 ( -1.139 4.937 -5.127) 7.208 28.899 ( 0.188 -0.959 2.245) 2.449 29.327 ( -3.330 6.760 0.532) 7.554 29.628 ( 4.330 -4.498 0.012) 6.244 31.252 ( 4.015 1.749 3.623) 5.683 31.356 ( 7.888 -2.267 3.181) 8.802 ======================= Grid point 173 (97/108) ======================= q-point: (-0.20 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -10.124 1.238 11.445) 15.331 1.770 ( -12.225 7.621 14.498) 20.438 1.885 ( -4.624 -8.489 -0.083) 9.667 2.149 ( -4.200 -2.355 6.081) 7.757 2.315 ( -6.029 -3.324 1.007) 6.958 2.422 ( -2.310 -4.752 -2.750) 5.957 2.516 ( -2.809 0.208 -0.866) 2.947 2.651 ( -5.132 -1.235 -2.047) 5.662 2.753 ( -6.899 3.369 0.212) 7.680 2.821 ( -3.654 4.971 2.426) 6.629 2.899 ( -4.169 2.927 1.840) 5.416 3.000 ( -1.070 0.590 2.531) 2.810 3.125 ( -4.629 2.727 5.985) 8.043 3.239 ( -0.682 5.938 -2.695) 6.557 3.363 ( -2.250 -0.968 0.739) 2.558 3.455 ( -0.372 2.470 -1.029) 2.702 3.505 ( -4.572 -2.609 2.873) 5.997 3.799 ( 4.166 -4.586 -2.333) 6.620 3.860 ( -1.129 -2.141 0.032) 2.421 3.972 ( 1.435 -5.773 1.076) 6.046 4.066 ( 1.989 -1.350 0.052) 2.404 4.144 ( -0.830 -1.283 1.589) 2.205 4.235 ( 2.384 3.370 2.447) 4.799 4.302 ( -0.081 0.734 1.194) 1.404 4.471 ( -0.732 0.133 2.891) 2.986 4.584 ( 3.089 1.723 -2.255) 4.195 4.713 ( 3.914 3.400 -1.618) 5.431 4.780 ( 3.820 0.911 -3.797) 5.462 4.847 ( 6.119 2.768 -1.872) 6.972 4.931 ( 4.058 0.256 -0.032) 4.066 5.042 ( -0.155 -0.278 -1.848) 1.875 5.116 ( 1.107 -0.833 0.593) 1.507 5.163 ( 1.169 -2.137 -0.148) 2.441 5.269 ( 0.672 -6.025 0.803) 6.115 5.500 ( -0.507 5.285 2.588) 5.906 5.609 ( 2.056 -1.284 1.262) 2.733 5.694 ( -0.681 -3.005 1.923) 3.632 5.771 ( 1.721 -1.706 -3.466) 4.230 5.927 ( -0.400 0.249 0.715) 0.857 6.050 ( -4.571 -2.084 0.379) 5.038 6.290 ( -0.461 2.494 1.838) 3.132 6.399 ( -0.651 0.075 1.793) 1.909 6.561 ( -2.667 0.257 0.862) 2.815 6.658 ( -4.728 -1.847 2.063) 5.479 6.787 ( -4.015 6.005 -2.390) 7.608 7.005 ( -8.837 -2.648 -4.524) 10.275 7.120 ( -4.175 0.439 -2.349) 4.810 7.217 ( -5.154 -3.830 -4.963) 8.116 7.388 ( 1.433 3.633 -3.885) 5.508 7.591 ( 3.252 -3.782 0.139) 4.990 8.026 ( 0.700 6.669 -2.622) 7.200 8.066 ( -0.247 7.165 0.408) 7.181 8.290 ( 4.447 0.660 -4.567) 6.409 8.699 ( 5.884 -8.041 -3.191) 10.462 9.294 ( -5.533 1.002 -5.902) 8.152 9.409 ( -4.412 -3.320 -3.725) 6.661 9.843 ( 4.975 3.096 4.847) 7.604 9.996 ( 6.788 -2.588 5.635) 9.194 10.502 ( -7.017 2.241 3.128) 8.003 10.631 ( -3.915 -2.621 0.751) 4.771 11.972 ( 1.238 1.617 5.165) 5.552 12.089 ( -5.297 -3.548 4.350) 7.718 12.377 ( -6.640 4.814 -2.227) 8.498 12.530 ( -10.703 -1.902 -3.209) 11.334 12.941 ( -0.446 2.013 1.933) 2.826 13.065 ( 0.060 -2.972 2.736) 4.040 13.802 ( 1.883 5.500 -0.064) 5.814 14.037 ( 1.189 -3.438 -1.634) 3.988 14.443 ( 3.451 4.487 -0.842) 5.723 14.680 ( 5.774 -4.513 -6.016) 9.482 14.974 ( 5.666 7.037 -5.051) 10.350 15.416 ( 12.305 -11.052 1.427) 16.601 15.893 ( 8.767 5.863 8.059) 13.273 16.161 ( 5.094 -5.469 3.367) 8.197 19.286 ( 2.652 4.564 -0.636) 5.317 19.515 ( 4.866 -4.514 1.842) 6.888 24.630 ( 3.834 1.578 0.507) 4.177 24.723 ( 5.578 -2.133 0.392) 5.985 25.669 ( -0.862 3.851 -1.736) 4.311 25.834 ( 1.389 -2.687 -5.901) 6.631 26.217 ( -5.266 4.920 4.897) 8.713 26.439 ( -1.158 -3.524 8.954) 9.692 27.289 ( -12.232 2.264 -3.217) 12.849 27.500 ( -16.675 -6.798 -10.225) 20.708 28.705 ( -2.639 4.698 -6.251) 8.253 28.903 ( -1.221 -4.978 -0.487) 5.149 29.299 ( 0.228 12.243 1.277) 12.312 29.730 ( 5.497 -5.809 1.973) 8.237 31.366 ( 4.988 2.911 4.686) 7.438 31.548 ( 9.960 -4.161 2.687) 11.124 ======================= Grid point 174 (98/108) ======================= q-point: (-0.10 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -9.595 0.997 13.970) 16.977 1.698 ( -6.151 5.862 17.966) 19.874 1.824 ( -2.026 -9.860 -1.202) 10.138 2.104 ( -4.447 -4.102 0.878) 6.113 2.235 ( -3.321 0.007 5.748) 6.638 2.343 ( -3.934 -2.167 -2.600) 5.189 2.435 ( -3.799 -2.243 -4.403) 6.233 2.508 ( -4.465 1.386 -1.792) 5.007 2.639 ( -5.837 7.040 -0.438) 9.155 2.713 ( -4.448 4.350 -2.236) 6.611 2.926 ( 0.172 1.259 7.964) 8.065 3.006 ( -0.122 -0.734 2.482) 2.591 3.118 ( -0.770 4.514 9.436) 10.489 3.217 ( -0.072 4.795 -1.442) 5.008 3.340 ( -0.983 -1.670 0.303) 1.961 3.427 ( -2.954 0.793 1.012) 3.222 3.443 ( -1.377 0.815 -0.951) 1.862 3.784 ( -1.946 -5.940 0.935) 6.320 3.908 ( 2.491 -4.347 -0.297) 5.019 3.996 ( -0.291 -2.838 -0.959) 3.010 4.063 ( 0.881 -3.040 -4.714) 5.678 4.137 ( -1.210 -2.161 -2.369) 3.427 4.245 ( 0.558 3.436 -2.557) 4.319 4.342 ( 1.120 -0.319 2.713) 2.952 4.498 ( 3.129 0.945 1.688) 3.679 4.623 ( 2.325 1.623 -1.293) 3.116 4.735 ( 0.453 3.101 -1.507) 3.477 4.841 ( 3.473 3.835 -1.066) 5.282 4.914 ( 2.397 0.592 -1.229) 2.758 5.006 ( 2.715 -1.079 -0.067) 2.923 5.036 ( 1.280 -0.268 -1.190) 1.768 5.153 ( 2.692 -1.147 2.549) 3.881 5.218 ( 3.494 2.998 0.161) 4.606 5.322 ( 1.516 -3.305 2.052) 4.176 5.475 ( -3.522 3.353 -1.632) 5.130 5.618 ( -1.845 -2.281 1.686) 3.384 5.657 ( -1.664 -2.534 1.168) 3.249 5.758 ( -1.936 -4.404 -0.253) 4.818 5.908 ( -4.986 2.397 -3.034) 6.309 5.950 ( 0.237 -0.379 -4.083) 4.107 6.320 ( 0.047 1.371 1.602) 2.109 6.394 ( -1.241 -1.298 4.342) 4.698 6.555 ( -4.897 -1.778 4.106) 6.633 6.571 ( 0.555 -2.449 1.328) 2.841 6.702 ( -3.139 6.109 1.112) 6.958 6.847 ( -3.990 -1.520 -1.586) 4.555 7.039 ( -2.517 0.525 -2.347) 3.481 7.155 ( -0.383 -5.520 -3.588) 6.595 7.367 ( -0.260 4.508 -4.815) 6.601 7.619 ( 0.514 -5.089 -2.216) 5.575 8.021 ( -0.111 5.547 -0.513) 5.572 8.103 ( 3.357 11.290 -0.220) 11.780 8.335 ( 2.977 0.545 -3.708) 4.787 8.757 ( 2.201 -6.573 -4.185) 8.097 9.186 ( -2.016 -0.379 -4.270) 4.737 9.312 ( -3.670 -5.458 -2.079) 6.898 9.982 ( 6.048 3.632 4.427) 8.329 10.125 ( 2.690 -1.835 4.403) 5.476 10.411 ( -3.240 3.021 1.322) 4.623 10.581 ( -1.813 -3.554 1.303) 4.197 11.920 ( -8.959 0.375 0.100) 8.967 11.934 ( -7.868 0.097 -0.717) 7.901 12.367 ( 2.702 1.192 1.302) 3.227 12.423 ( -0.393 -1.117 2.273) 2.563 12.958 ( 0.629 2.125 2.222) 3.138 13.094 ( 0.860 -3.318 2.680) 4.351 13.854 ( 2.984 5.197 0.804) 6.047 14.055 ( 1.560 -2.676 -1.608) 3.490 14.483 ( 1.132 5.408 0.050) 5.526 14.703 ( 1.362 -3.216 -6.551) 7.423 15.033 ( 3.400 7.044 -4.339) 8.944 15.576 ( 4.444 -14.511 -2.755) 15.424 16.115 ( 9.010 2.881 5.493) 10.939 16.258 ( 2.549 -2.776 4.554) 5.911 19.330 ( 2.042 5.561 -0.346) 5.934 19.623 ( 4.443 -6.309 2.172) 8.016 24.702 ( 3.104 1.957 0.480) 3.700 24.825 ( 4.609 -3.145 -0.162) 5.582 25.623 ( -2.187 4.447 -2.341) 5.481 25.797 ( -1.346 -2.587 -4.919) 5.719 26.170 ( -2.696 6.652 4.162) 8.297 26.461 ( -2.070 -4.691 5.615) 7.604 27.088 ( -6.983 0.857 -1.454) 7.184 27.154 ( -12.232 -1.884 -4.532) 13.180 28.624 ( -2.174 3.758 -4.230) 6.061 28.851 ( -2.682 -7.334 -2.036) 8.070 29.339 ( 2.444 14.809 0.675) 15.024 29.841 ( 4.972 -6.836 0.591) 8.474 31.481 ( 3.620 3.822 4.651) 7.025 31.732 ( 7.533 -6.042 0.456) 9.668 ======================= Grid point 175 (99/108) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -0.452 -6.718 2.294) 7.113 1.565 ( -0.452 6.718 2.294) 7.113 1.914 ( -1.749 -8.247 13.843) 16.209 1.914 ( -1.749 8.247 13.843) 16.209 2.235 ( 1.187 -2.379 -7.360) 7.825 2.235 ( 1.187 2.379 -7.360) 7.825 2.435 ( -0.749 -2.517 3.387) 4.286 2.435 ( -0.749 2.517 3.387) 4.286 2.699 ( -0.087 -3.526 -2.405) 4.269 2.699 ( -0.087 3.526 -2.405) 4.269 2.980 ( 0.617 -2.149 1.095) 2.489 2.980 ( 0.617 2.149 1.095) 2.489 3.235 ( -1.867 -2.674 1.236) 3.488 3.235 ( -1.867 2.674 1.236) 3.488 3.352 ( 2.823 -2.400 -2.435) 4.434 3.352 ( 2.823 2.400 -2.435) 4.434 3.618 ( -0.194 -8.808 9.746) 13.138 3.618 ( -0.194 8.808 9.746) 13.138 3.909 ( 0.037 -4.499 -1.530) 4.752 3.909 ( 0.037 4.499 -1.530) 4.752 3.998 ( -2.290 -2.481 -4.560) 5.673 3.998 ( -2.290 2.481 -4.560) 5.673 4.332 ( 0.940 -2.983 -1.302) 3.387 4.332 ( 0.940 2.983 -1.302) 3.387 4.629 ( 1.650 -1.099 -0.734) 2.114 4.629 ( 1.650 1.099 -0.734) 2.114 4.827 ( 0.161 -4.384 -1.513) 4.640 4.827 ( 0.161 4.384 -1.513) 4.640 4.969 ( -0.097 -3.214 1.042) 3.380 4.969 ( -0.097 3.214 1.042) 3.380 5.163 ( 0.889 -4.962 -0.627) 5.079 5.163 ( 0.889 4.962 -0.627) 5.079 5.302 ( -0.405 -2.259 -0.261) 2.310 5.302 ( -0.405 2.259 -0.261) 2.310 5.478 ( -2.155 -5.955 2.188) 6.700 5.478 ( -2.155 5.955 2.188) 6.700 5.682 ( -0.059 -3.353 3.188) 4.626 5.682 ( -0.059 3.353 3.188) 4.626 5.840 ( -3.308 -4.166 -1.238) 5.462 5.840 ( -3.308 4.166 -1.238) 5.462 6.403 ( 2.095 -4.144 0.568) 4.678 6.403 ( 2.095 4.144 0.568) 4.678 6.525 ( 1.886 -2.594 0.393) 3.231 6.525 ( 1.886 2.594 0.393) 3.231 6.795 ( 1.286 -1.533 0.060) 2.002 6.795 ( 1.286 1.533 0.060) 2.002 7.018 ( -1.301 -2.534 -2.274) 3.644 7.018 ( -1.301 2.534 -2.274) 3.644 7.456 ( -1.138 -7.286 -1.834) 7.599 7.456 ( -1.138 7.286 -1.834) 7.599 8.176 ( 0.556 -6.599 0.895) 6.683 8.176 ( 0.556 6.599 0.895) 6.683 8.542 ( -0.012 -14.146 -3.754) 14.636 8.542 ( -0.012 14.146 -3.754) 14.636 9.145 ( -0.722 -2.182 -1.727) 2.875 9.145 ( -0.722 2.182 -1.727) 2.875 10.142 ( 1.265 -2.036 1.582) 2.872 10.142 ( 1.265 2.036 1.582) 2.872 10.491 ( 0.984 -5.009 0.304) 5.113 10.491 ( 0.984 5.009 0.304) 5.113 11.817 ( -2.162 -0.767 1.297) 2.635 11.817 ( -2.162 0.767 1.297) 2.635 12.429 ( 0.806 -1.449 0.434) 1.713 12.429 ( 0.806 1.449 0.434) 1.713 13.046 ( 0.971 -3.623 0.885) 3.854 13.046 ( 0.971 3.623 0.885) 3.854 13.997 ( 0.488 -4.392 -1.013) 4.534 13.997 ( 0.488 4.392 -1.013) 4.534 14.599 ( -0.884 -4.655 -1.261) 4.903 14.599 ( -0.884 4.655 -1.261) 4.903 15.260 ( -1.324 -14.212 -0.829) 14.297 15.260 ( -1.324 14.212 -0.829) 14.297 16.272 ( 0.686 -2.602 2.957) 3.998 16.272 ( 0.686 2.602 2.957) 3.998 19.504 ( -0.343 -8.598 0.714) 8.634 19.504 ( -0.343 8.598 0.714) 8.634 24.795 ( -0.017 -3.391 0.155) 3.395 24.795 ( -0.017 3.391 0.155) 3.395 25.675 ( -1.191 -4.389 -1.532) 4.799 25.675 ( -1.191 4.389 -1.532) 4.799 26.333 ( 1.407 -7.506 1.232) 7.736 26.333 ( 1.407 7.506 1.232) 7.736 27.026 ( -0.054 -0.523 -0.509) 0.732 27.026 ( -0.054 0.523 -0.509) 0.732 28.665 ( -1.346 -5.519 -1.058) 5.779 28.665 ( -1.346 5.519 -1.058) 5.779 29.682 ( 1.537 -13.664 -1.761) 13.863 29.682 ( 1.537 13.664 -1.761) 13.863 31.659 ( 0.057 -6.962 1.627) 7.150 31.659 ( 0.057 6.962 1.627) 7.150 ======================= Grid point 177 (100/108) ======================= q-point: ( 0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 6.169 -4.076 1.117) 7.478 1.635 ( 6.169 4.076 1.117) 7.478 2.013 ( 1.893 -5.246 11.283) 12.586 2.013 ( 1.893 5.246 11.283) 12.586 2.232 ( 5.082 -4.506 -7.512) 10.128 2.232 ( 5.082 4.506 -7.512) 10.128 2.482 ( 3.651 -1.035 0.475) 3.824 2.482 ( 3.651 1.035 0.475) 3.824 2.735 ( 4.208 -2.132 0.299) 4.726 2.735 ( 4.208 2.132 0.299) 4.726 2.983 ( -0.076 -1.948 -0.117) 1.953 2.983 ( -0.076 1.948 -0.117) 1.953 3.221 ( -0.982 -3.323 1.886) 3.945 3.221 ( -0.982 3.323 1.886) 3.945 3.387 ( 3.703 -2.026 -4.321) 6.041 3.387 ( 3.703 2.026 -4.321) 6.041 3.657 ( -1.861 -3.552 3.315) 5.203 3.657 ( -1.861 3.552 3.315) 5.203 3.900 ( 0.331 -5.312 -0.906) 5.399 3.900 ( 0.331 5.312 -0.906) 5.399 3.995 ( 2.989 -3.706 2.928) 5.589 3.995 ( 2.989 3.706 2.928) 5.589 4.320 ( -0.708 -4.870 -1.831) 5.251 4.320 ( -0.708 4.870 -1.831) 5.251 4.616 ( -1.766 -3.677 -2.245) 4.656 4.616 ( -1.766 3.677 -2.245) 4.656 4.805 ( -1.096 -4.085 -0.531) 4.263 4.805 ( -1.096 4.085 -0.531) 4.263 4.975 ( -1.586 -5.202 -0.873) 5.508 4.975 ( -1.586 5.202 -0.873) 5.508 5.104 ( -4.694 -5.717 -0.034) 7.398 5.104 ( -4.694 5.717 -0.034) 7.398 5.279 ( -2.201 -3.719 -0.577) 4.360 5.279 ( -2.201 3.719 -0.577) 4.360 5.488 ( 1.431 -4.387 5.011) 6.812 5.488 ( 1.431 4.387 5.011) 6.812 5.694 ( -1.418 -2.378 1.271) 3.046 5.694 ( -1.418 2.378 1.271) 3.046 5.853 ( 3.369 -2.124 3.617) 5.380 5.853 ( 3.369 2.124 3.617) 5.380 6.420 ( 0.904 -5.785 -2.657) 6.430 6.420 ( 0.904 5.785 -2.657) 6.430 6.580 ( 4.289 -3.065 -2.858) 5.997 6.580 ( 4.289 3.065 -2.858) 5.997 6.826 ( 1.783 -3.024 -2.614) 4.377 6.826 ( 1.783 3.024 -2.614) 4.377 7.022 ( 2.678 -2.172 1.723) 3.855 7.022 ( 2.678 2.172 1.723) 3.855 7.441 ( -0.074 -7.164 1.305) 7.282 7.441 ( -0.074 7.164 1.305) 7.282 8.165 ( -1.684 -6.315 -0.660) 6.569 8.165 ( -1.684 6.315 -0.660) 6.569 8.483 ( -3.878 -14.417 -1.113) 14.971 8.483 ( -3.878 14.417 -1.113) 14.971 9.170 ( 3.393 -4.148 0.675) 5.402 9.170 ( 3.393 4.148 0.675) 5.402 10.126 ( -3.320 -3.423 -1.557) 5.016 10.126 ( -3.320 3.423 -1.557) 5.016 10.524 ( 3.507 -4.216 -1.643) 5.725 10.524 ( 3.507 4.216 -1.643) 5.725 11.886 ( 7.008 -0.144 3.975) 8.058 11.886 ( 7.008 0.144 3.975) 8.058 12.420 ( -1.205 -2.497 -0.965) 2.936 12.420 ( -1.205 2.497 -0.965) 2.936 13.063 ( 1.183 -3.452 -1.708) 4.029 13.063 ( 1.183 3.452 -1.708) 4.029 13.970 ( -2.432 -4.642 -1.078) 5.351 13.970 ( -2.432 4.642 -1.078) 5.351 14.565 ( -2.672 -4.371 0.992) 5.218 14.565 ( -2.672 4.371 0.992) 5.218 15.207 ( -4.634 -13.439 2.271) 14.396 15.207 ( -4.634 13.439 2.271) 14.396 16.245 ( -4.297 -4.059 -0.293) 5.918 16.245 ( -4.297 4.059 -0.293) 5.918 19.468 ( -3.622 -8.059 0.834) 8.875 19.468 ( -3.622 8.059 0.834) 8.875 24.759 ( -3.475 -2.913 0.005) 4.534 24.759 ( -3.475 2.913 0.005) 4.534 25.664 ( -0.185 -4.347 1.727) 4.681 25.664 ( -0.185 4.347 1.727) 4.681 26.405 ( 5.995 -7.911 -2.538) 10.245 26.405 ( 5.995 7.911 -2.538) 10.245 27.088 ( 6.582 -0.669 0.211) 6.619 27.088 ( 6.582 0.669 0.211) 6.619 28.661 ( 0.550 -5.906 2.206) 6.328 28.661 ( 0.550 5.906 2.206) 6.328 29.670 ( -0.951 -13.384 -3.352) 13.831 29.670 ( -0.951 13.384 -3.352) 13.831 31.615 ( -5.103 -5.839 0.503) 7.771 31.615 ( -5.103 5.839 0.503) 7.771 ======================= Grid point 179 (101/108) ======================= q-point: ( 0.20 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 8.300 -2.297 -1.096) 8.682 1.778 ( 8.300 2.297 -1.096) 8.682 2.092 ( 2.667 -5.706 3.585) 7.247 2.092 ( 2.667 5.706 3.585) 7.247 2.325 ( 5.966 -3.138 -2.016) 7.036 2.325 ( 5.966 3.138 -2.016) 7.036 2.565 ( 5.887 -3.114 -2.981) 7.297 2.565 ( 5.887 3.114 -2.981) 7.297 2.828 ( 4.284 -1.377 0.864) 4.582 2.828 ( 4.284 1.377 0.864) 4.582 2.998 ( 1.471 -2.607 1.079) 3.182 2.998 ( 1.471 2.607 1.079) 3.182 3.218 ( -0.136 -6.071 0.772) 6.122 3.218 ( -0.136 6.071 0.772) 6.122 3.433 ( 3.009 -2.990 -3.368) 5.417 3.433 ( 3.009 2.990 -3.368) 5.417 3.623 ( -1.421 -4.408 1.119) 4.764 3.623 ( -1.421 4.408 1.119) 4.764 3.891 ( -0.945 -4.227 -0.357) 4.346 3.891 ( -0.945 4.227 -0.357) 4.346 4.088 ( 2.863 -3.629 1.153) 4.764 4.088 ( 2.863 3.629 1.153) 4.764 4.315 ( 1.870 -1.769 -0.635) 2.651 4.315 ( 1.870 1.769 -0.635) 2.651 4.562 ( -2.462 -3.669 -0.199) 4.423 4.562 ( -2.462 3.669 -0.199) 4.423 4.772 ( -3.201 -0.723 -1.727) 3.709 4.772 ( -3.201 0.723 -1.727) 3.709 4.883 ( -4.964 -4.879 -0.574) 6.984 4.883 ( -4.964 4.879 -0.574) 6.984 5.052 ( -1.757 -2.956 1.858) 3.909 5.052 ( -1.757 2.956 1.858) 3.909 5.209 ( -3.090 -3.093 -2.974) 5.287 5.209 ( -3.090 3.093 -2.974) 5.287 5.572 ( 1.234 -2.524 6.248) 6.851 5.572 ( 1.234 2.524 6.248) 6.851 5.651 ( -2.378 -3.122 0.980) 4.045 5.651 ( -2.378 3.122 0.980) 4.045 5.957 ( 4.957 -4.466 1.660) 6.876 5.957 ( 4.957 4.466 1.660) 6.876 6.402 ( -0.779 -4.159 -3.539) 5.516 6.402 ( -0.779 4.159 -3.539) 5.516 6.645 ( 3.030 -3.981 -2.031) 5.399 6.645 ( 3.030 3.981 -2.031) 5.399 6.855 ( 4.177 -4.464 1.106) 6.212 6.855 ( 4.177 4.464 1.106) 6.212 7.116 ( 5.105 -2.342 1.556) 5.828 7.116 ( 5.105 2.342 1.556) 5.828 7.462 ( 0.974 -6.411 1.020) 6.565 7.462 ( 0.974 6.411 1.020) 6.565 8.121 ( -1.998 -4.783 -0.376) 5.197 8.121 ( -1.998 4.783 -0.376) 5.197 8.403 ( -4.110 -14.110 0.333) 14.700 8.403 ( -4.110 14.110 0.333) 14.700 9.265 ( 5.395 -4.309 2.416) 7.315 9.265 ( 5.395 4.309 2.416) 7.315 10.008 ( -6.760 -4.202 -3.134) 8.554 10.008 ( -6.760 4.202 -3.134) 8.554 10.606 ( 6.153 -2.320 -2.581) 7.065 10.606 ( 6.153 2.320 -2.581) 7.065 12.055 ( 5.937 -2.376 1.608) 6.594 12.055 ( 5.937 2.376 1.608) 6.594 12.420 ( 3.384 -3.987 1.630) 5.478 12.420 ( 3.384 3.987 1.630) 5.478 13.070 ( 1.649 -3.117 -4.336) 5.589 13.070 ( 1.649 3.117 -4.336) 5.589 13.912 ( -2.779 -5.330 0.148) 6.013 13.912 ( -2.779 5.330 0.148) 6.013 14.507 ( -4.664 -4.669 2.127) 6.933 14.507 ( -4.664 4.669 2.127) 6.933 15.116 ( -7.129 -12.111 3.693) 14.531 15.116 ( -7.129 12.111 3.693) 14.531 16.122 ( -7.225 -5.712 -2.980) 9.680 16.122 ( -7.225 5.712 -2.980) 9.680 19.395 ( -4.303 -6.637 0.857) 7.956 19.395 ( -4.303 6.637 0.857) 7.956 24.681 ( -4.326 -2.255 -0.346) 4.891 24.681 ( -4.326 2.255 -0.346) 4.891 25.677 ( -0.691 -3.968 3.821) 5.552 25.677 ( -0.691 3.968 3.821) 5.552 26.488 ( 5.566 -7.179 -7.488) 11.772 26.488 ( 5.566 7.179 -7.488) 11.772 27.274 ( 11.593 -2.626 3.679) 12.443 27.274 ( 11.593 2.626 3.679) 12.443 28.709 ( 1.938 -6.410 4.752) 8.211 28.709 ( 1.938 6.410 4.752) 8.211 29.614 ( -1.966 -11.871 -4.544) 12.862 29.614 ( -1.966 11.871 -4.544) 12.862 31.492 ( -7.480 -4.153 -0.627) 8.578 31.492 ( -7.480 4.153 -0.627) 8.578 ======================= Grid point 181 (102/108) ======================= q-point: ( 0.30 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 6.833 -4.046 -2.736) 8.400 1.911 ( 6.833 4.046 -2.736) 8.400 2.191 ( 6.591 -5.875 0.671) 8.855 2.191 ( 6.591 5.875 0.671) 8.855 2.396 ( 2.762 -2.086 -1.395) 3.732 2.396 ( 2.762 2.086 -1.395) 3.732 2.652 ( 4.868 -3.774 -0.898) 6.225 2.652 ( 4.868 3.774 -0.898) 6.225 2.886 ( 2.176 -3.409 -2.637) 4.828 2.886 ( 2.176 3.409 -2.637) 4.828 3.037 ( 1.811 -1.319 0.452) 2.286 3.037 ( 1.811 1.319 0.452) 2.286 3.221 ( -0.523 -7.068 2.268) 7.441 3.221 ( -0.523 7.068 2.268) 7.441 3.436 ( -0.235 -2.569 -3.816) 4.607 3.436 ( -0.235 2.569 -3.816) 4.607 3.633 ( 0.540 -5.438 0.887) 5.536 3.633 ( 0.540 5.438 0.887) 5.536 3.866 ( -1.250 -2.773 1.186) 3.265 3.866 ( -1.250 2.773 1.186) 3.265 4.113 ( 0.471 -4.668 0.034) 4.692 4.113 ( 0.471 4.668 0.034) 4.692 4.341 ( 0.219 -1.414 -3.961) 4.212 4.341 ( 0.219 1.414 -3.961) 4.212 4.523 ( -2.787 -1.452 2.138) 3.801 4.523 ( -2.787 1.452 2.138) 3.801 4.659 ( -5.454 -3.047 -2.362) 6.679 4.659 ( -5.454 3.047 -2.362) 6.679 4.823 ( -1.153 -6.832 -0.748) 6.969 4.823 ( -1.153 6.832 -0.748) 6.969 5.032 ( -2.584 -3.026 2.697) 4.808 5.032 ( -2.584 3.026 2.697) 4.808 5.179 ( 1.531 -5.254 -1.100) 5.582 5.179 ( 1.531 5.254 -1.100) 5.582 5.546 ( -3.450 -1.385 2.279) 4.361 5.546 ( -3.450 1.385 2.279) 4.361 5.689 ( 2.266 -2.743 3.449) 4.955 5.689 ( 2.266 2.743 3.449) 4.955 6.018 ( 1.179 -4.389 -2.833) 5.356 6.018 ( 1.179 4.389 -2.833) 5.356 6.386 ( 1.448 -1.540 0.162) 2.120 6.386 ( 1.448 1.540 0.162) 2.120 6.662 ( 1.039 -1.141 -1.819) 2.386 6.662 ( 1.039 1.141 -1.819) 2.386 6.981 ( 5.267 -5.218 4.693) 8.775 6.981 ( 5.267 5.218 4.693) 8.775 7.214 ( 3.365 -2.380 2.617) 4.883 7.214 ( 3.365 2.380 2.617) 4.883 7.475 ( 0.987 -4.696 -2.023) 5.207 7.475 ( 0.987 4.696 -2.023) 5.207 8.100 ( -0.385 -3.100 0.854) 3.238 8.100 ( -0.385 3.100 0.854) 3.238 8.340 ( -2.738 -12.490 0.362) 12.792 8.340 ( -2.738 12.490 0.362) 12.792 9.394 ( 6.086 -3.084 3.224) 7.546 9.394 ( 6.086 3.084 3.224) 7.546 9.863 ( -6.043 -2.919 -3.354) 7.502 9.863 ( -6.043 2.919 -3.354) 7.502 10.699 ( 5.124 -1.719 -2.828) 6.100 10.699 ( 5.124 1.719 -2.828) 6.100 12.076 ( -1.430 -5.598 -3.117) 6.565 12.076 ( -1.430 5.598 -3.117) 6.565 12.593 ( 9.635 -3.348 6.449) 12.068 12.593 ( 9.635 3.348 6.449) 12.068 13.079 ( 3.193 -3.124 -5.676) 7.223 13.079 ( 3.193 3.124 -5.676) 7.223 13.883 ( -0.849 -6.074 1.659) 6.354 13.883 ( -0.849 6.074 1.659) 6.354 14.420 ( -5.770 -4.353 1.972) 7.492 14.420 ( -5.770 4.353 1.972) 7.492 14.992 ( -8.069 -8.942 2.984) 12.408 14.992 ( -8.069 8.942 2.984) 12.408 15.957 ( -7.430 -7.214 -4.046) 11.119 15.957 ( -7.430 7.214 -4.046) 11.119 19.331 ( -2.902 -5.376 0.901) 6.175 19.331 ( -2.902 5.376 0.901) 6.175 24.603 ( -3.421 -1.660 -0.615) 3.852 24.603 ( -3.421 1.660 -0.615) 3.852 25.682 ( -1.475 -3.279 4.299) 5.604 25.682 ( -1.475 3.279 4.299) 5.604 26.515 ( 3.437 -4.946 -9.819) 11.519 26.515 ( 3.437 4.946 -9.819) 11.519 27.536 ( 11.822 -4.412 6.298) 14.103 27.536 ( 11.822 4.412 6.298) 14.103 28.779 ( 1.609 -5.980 5.540) 8.309 28.779 ( 1.609 5.980 5.540) 8.309 29.552 ( -1.086 -9.088 -4.976) 10.418 29.552 ( -1.086 9.088 -4.976) 10.418 31.346 ( -6.884 -2.490 -1.296) 7.435 31.346 ( -6.884 2.490 -1.296) 7.435 ======================= Grid point 183 (103/108) ======================= q-point: ( 0.40 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 3.569 -4.094 -2.234) 5.873 1.993 ( 3.569 4.094 -2.234) 5.873 2.321 ( 4.157 -4.662 1.336) 6.388 2.321 ( 4.157 4.662 1.336) 6.388 2.428 ( 3.376 -2.599 -1.157) 4.415 2.428 ( 3.376 2.599 -1.157) 4.415 2.736 ( 2.899 -6.402 0.204) 7.031 2.736 ( 2.899 6.402 0.204) 7.031 2.883 ( 1.100 -4.684 -3.437) 5.913 2.883 ( 1.100 4.684 -3.437) 5.913 3.072 ( 1.487 -3.518 -0.757) 3.894 3.072 ( 1.487 3.518 -0.757) 3.894 3.210 ( -2.631 -4.986 1.863) 5.937 3.210 ( -2.631 4.986 1.863) 5.937 3.385 ( -1.438 -2.292 -4.919) 5.614 3.385 ( -1.438 2.292 -4.919) 5.614 3.630 ( -0.169 -6.643 -1.042) 6.727 3.630 ( -0.169 6.643 -1.042) 6.727 3.881 ( 1.200 -2.020 2.443) 3.389 3.881 ( 1.200 2.020 2.443) 3.389 4.102 ( -2.151 -3.758 0.260) 4.338 4.102 ( -2.151 3.758 0.260) 4.338 4.267 ( -3.943 -1.286 -2.752) 4.977 4.267 ( -3.943 1.286 -2.752) 4.977 4.467 ( -4.355 -1.211 3.458) 5.691 4.467 ( -4.355 1.211 3.458) 5.691 4.585 ( -0.802 -2.796 -3.732) 4.732 4.585 ( -0.802 2.796 -3.732) 4.732 4.834 ( 2.048 -3.166 -1.015) 3.905 4.834 ( 2.048 3.166 -1.015) 3.905 5.023 ( 0.078 -1.348 3.884) 4.112 5.023 ( 0.078 1.348 3.884) 4.112 5.185 ( -1.235 -4.679 -0.039) 4.840 5.185 ( -1.235 4.679 -0.039) 4.840 5.525 ( -0.672 -1.155 2.305) 2.664 5.525 ( -0.672 1.155 2.305) 2.664 5.728 ( 0.001 -1.802 0.526) 1.877 5.728 ( 0.001 1.802 0.526) 1.877 6.009 ( 1.399 -1.365 -2.339) 3.048 6.009 ( 1.399 1.365 -2.339) 3.048 6.424 ( 0.191 -2.394 1.130) 2.654 6.424 ( 0.191 2.394 1.130) 2.654 6.691 ( 3.542 -1.603 -0.020) 3.888 6.691 ( 3.542 1.603 -0.020) 3.888 7.081 ( 2.207 -3.694 2.781) 5.123 7.081 ( 2.207 3.694 2.781) 5.123 7.245 ( -1.071 -0.819 2.162) 2.548 7.245 ( -1.071 0.819 2.162) 2.548 7.496 ( 2.414 -2.964 -1.775) 4.215 7.496 ( 2.414 2.964 -1.775) 4.215 8.114 ( 0.938 -2.016 1.285) 2.569 8.114 ( 0.938 2.016 1.285) 2.569 8.305 ( -1.075 -10.619 -0.387) 10.680 8.305 ( -1.075 10.619 -0.387) 10.680 9.519 ( 4.861 -1.595 2.974) 5.918 9.519 ( 4.861 1.595 2.974) 5.918 9.748 ( -4.009 -1.010 -3.034) 5.128 9.748 ( -4.009 1.010 -3.034) 5.128 10.753 ( 2.363 -3.117 -2.563) 4.676 10.753 ( 2.363 3.117 -2.563) 4.676 12.019 ( -2.268 -8.337 -1.944) 8.856 12.019 ( -2.268 8.337 -1.944) 8.856 12.769 ( 4.119 -2.518 4.889) 6.871 12.769 ( 4.119 2.518 4.889) 6.871 13.138 ( 6.302 -4.572 -4.361) 8.923 13.138 ( 6.302 4.572 -4.361) 8.923 13.892 ( 0.224 -6.573 1.891) 6.843 13.892 ( 0.224 6.573 1.891) 6.843 14.331 ( -4.316 -3.287 1.266) 5.571 14.331 ( -4.316 3.287 1.266) 5.571 14.872 ( -5.508 -4.673 1.657) 7.411 14.872 ( -5.508 4.673 1.657) 7.411 15.809 ( -5.409 -8.478 -3.228) 10.562 15.809 ( -5.409 8.478 -3.228) 10.562 19.299 ( -1.129 -4.610 0.827) 4.818 19.299 ( -1.129 4.610 0.827) 4.818 24.549 ( -1.867 -1.124 -0.591) 2.257 24.549 ( -1.867 1.124 -0.591) 2.257 25.681 ( -1.146 -2.807 3.631) 4.730 25.681 ( -1.146 2.807 3.631) 4.730 26.501 ( 1.347 -2.723 -8.287) 8.827 26.501 ( 1.347 2.723 -8.287) 8.827 27.765 ( 7.863 -3.610 5.573) 10.291 27.765 ( 7.863 3.610 5.573) 10.291 28.827 ( 0.103 -4.584 4.473) 6.405 28.827 ( 0.103 4.584 4.473) 6.405 29.516 ( 0.368 -5.622 -4.278) 7.075 29.516 ( 0.368 5.622 -4.278) 7.075 31.231 ( -4.381 -1.111 -1.032) 4.636 31.231 ( -4.381 1.111 -1.032) 4.636 ======================= Grid point 185 (104/108) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -0.883 -1.184 -0.071) 1.479 2.014 ( -0.883 1.184 -0.071) 1.479 2.330 ( -1.299 -3.178 0.257) 3.443 2.330 ( -1.299 3.178 0.257) 3.443 2.513 ( 1.961 -2.872 1.107) 3.650 2.513 ( 1.961 2.872 1.107) 3.650 2.716 ( -4.071 -4.747 0.391) 6.266 2.716 ( -4.071 4.747 0.391) 6.266 2.908 ( 0.691 -5.426 -0.232) 5.475 2.908 ( 0.691 5.426 -0.232) 5.475 3.057 ( -0.141 -1.870 -2.482) 3.111 3.057 ( -0.141 1.870 -2.482) 3.111 3.194 ( 0.452 -5.170 0.331) 5.200 3.194 ( 0.452 5.170 0.331) 5.200 3.345 ( 0.942 -2.568 -4.355) 5.143 3.345 ( 0.942 2.568 -4.355) 5.143 3.627 ( 0.222 -7.063 -1.052) 7.144 3.627 ( 0.222 7.063 -1.052) 7.144 3.912 ( 0.682 -0.289 0.468) 0.876 3.912 ( 0.682 0.289 0.468) 0.876 4.070 ( -0.843 -1.192 1.883) 2.383 4.070 ( -0.843 1.192 1.883) 2.383 4.204 ( -1.310 -1.116 -0.296) 1.747 4.204 ( -1.310 1.116 -0.296) 1.747 4.441 ( -1.072 -1.949 5.433) 5.871 4.441 ( -1.072 1.949 5.433) 5.871 4.560 ( 1.272 -2.180 -5.640) 6.179 4.560 ( 1.272 2.180 -5.640) 6.179 4.849 ( -0.397 -1.629 -0.498) 1.749 4.849 ( -0.397 1.629 -0.498) 1.749 5.066 ( 1.290 -2.262 2.768) 3.800 5.066 ( 1.290 2.262 2.768) 3.800 5.163 ( -0.308 -3.847 0.039) 3.860 5.163 ( -0.308 3.847 0.039) 3.860 5.518 ( -2.245 -3.541 3.281) 5.324 5.518 ( -2.245 3.541 3.281) 5.324 5.717 ( -0.022 -0.457 -0.550) 0.715 5.717 ( -0.022 0.457 -0.550) 0.715 6.027 ( -0.350 -1.413 -0.370) 1.503 6.027 ( -0.350 1.413 -0.370) 1.503 6.415 ( 0.188 -2.740 -0.066) 2.748 6.415 ( 0.188 2.740 -0.066) 2.748 6.759 ( 0.835 -2.035 0.792) 2.338 6.759 ( 0.835 2.035 0.792) 2.338 7.090 ( -0.016 -1.900 -0.059) 1.901 7.090 ( -0.016 1.900 -0.059) 1.901 7.255 ( 0.634 -0.973 0.918) 1.480 7.255 ( 0.634 0.973 0.918) 1.480 7.518 ( 0.478 -1.966 -1.057) 2.283 7.518 ( 0.478 1.966 -1.057) 2.283 8.139 ( 0.680 -1.419 0.514) 1.656 8.139 ( 0.680 1.419 0.514) 1.656 8.296 ( 0.897 -10.217 -1.273) 10.335 8.296 ( 0.897 10.217 -1.273) 10.335 9.610 ( 2.989 -0.677 2.685) 4.075 9.610 ( 2.989 0.677 2.685) 4.075 9.667 ( -2.782 -0.512 -3.034) 4.148 9.667 ( -2.782 0.512 -3.034) 4.148 10.758 ( -0.404 -3.414 -1.401) 3.712 10.758 ( -0.404 3.414 -1.401) 3.712 11.975 ( -2.215 -9.765 1.246) 10.090 11.975 ( -2.215 9.765 1.246) 10.090 12.823 ( 0.098 -2.127 2.262) 3.107 12.823 ( 0.098 2.127 2.262) 3.107 13.203 ( 1.566 -5.936 -3.648) 7.141 13.203 ( 1.566 5.936 -3.648) 7.141 13.909 ( 0.830 -6.544 0.591) 6.622 13.909 ( 0.830 6.544 0.591) 6.622 14.289 ( -0.838 -2.172 1.614) 2.833 14.289 ( -0.838 2.172 1.614) 2.833 14.830 ( 0.851 -0.974 -0.050) 1.295 14.830 ( 0.851 0.974 -0.050) 1.295 15.728 ( -1.629 -9.428 -0.560) 9.584 15.728 ( -1.629 9.428 -0.560) 9.584 19.295 ( 0.154 -4.263 0.409) 4.285 19.295 ( 0.154 4.263 0.409) 4.285 24.528 ( -0.097 -0.815 -0.307) 0.877 24.528 ( -0.097 0.815 -0.307) 0.877 25.690 ( 0.118 -2.794 2.366) 3.663 25.690 ( 0.118 2.794 2.366) 3.663 26.464 ( -0.838 -0.835 -4.580) 4.730 26.464 ( -0.838 0.835 -4.580) 4.730 27.881 ( 1.547 -1.253 2.142) 2.924 27.881 ( 1.547 1.253 2.142) 2.924 28.848 ( -0.153 -3.226 3.012) 4.416 28.848 ( -0.153 3.226 3.012) 4.416 29.503 ( 0.469 -3.890 -3.280) 5.110 29.503 ( 0.469 3.890 -3.280) 5.110 31.177 ( -0.903 -0.146 0.178) 0.931 31.177 ( -0.903 0.146 0.178) 0.931 ======================= Grid point 187 (105/108) ======================= q-point: (-0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -5.513 -4.045 1.617) 7.026 1.955 ( -5.513 4.045 1.617) 7.026 2.289 ( -5.967 -5.046 2.745) 8.283 2.289 ( -5.967 5.046 2.745) 8.283 2.444 ( -5.984 -3.111 -1.645) 6.942 2.444 ( -5.984 3.111 -1.645) 6.942 2.680 ( -1.879 -6.459 5.597) 8.750 2.680 ( -1.879 6.459 5.597) 8.750 2.866 ( -3.317 -4.628 -0.459) 5.712 2.866 ( -3.317 4.628 -0.459) 5.712 3.077 ( 1.174 -1.694 -1.906) 2.807 3.077 ( 1.174 1.694 -1.906) 2.807 3.218 ( 3.058 -7.397 0.640) 8.030 3.218 ( 3.058 7.397 0.640) 8.030 3.369 ( 2.775 -4.196 -3.451) 6.101 3.369 ( 2.775 4.196 -3.451) 6.101 3.614 ( -0.607 -5.696 -0.461) 5.747 3.614 ( -0.607 5.696 -0.461) 5.747 3.915 ( -0.494 -1.469 -0.629) 1.673 3.915 ( -0.494 1.469 -0.629) 1.673 4.089 ( 1.017 -3.607 2.399) 4.450 4.089 ( 1.017 3.607 2.399) 4.450 4.218 ( 1.207 -2.065 2.156) 3.220 4.218 ( 1.207 2.065 2.156) 3.220 4.483 ( 1.526 -1.709 3.189) 3.927 4.483 ( 1.526 1.709 3.189) 3.927 4.576 ( 4.735 -2.893 -3.496) 6.559 4.576 ( 4.735 2.893 -3.496) 6.559 4.823 ( -1.620 -1.613 -0.351) 2.313 4.823 ( -1.620 1.613 -0.351) 2.313 5.067 ( -1.817 -4.477 -0.369) 4.845 5.067 ( -1.817 4.477 -0.369) 4.845 5.190 ( 2.623 -2.743 -0.285) 3.805 5.190 ( 2.623 2.743 -0.285) 3.805 5.499 ( -1.795 -2.120 4.273) 5.097 5.499 ( -1.795 2.120 4.273) 5.097 5.729 ( 0.779 -1.085 0.677) 1.497 5.729 ( 0.779 1.085 0.677) 1.497 5.982 ( -3.172 -3.180 0.526) 4.522 5.982 ( -3.172 3.180 0.526) 4.522 6.437 ( 0.776 -2.854 -0.200) 2.965 6.437 ( 0.776 2.854 -0.200) 2.965 6.709 ( -3.942 -2.764 -1.235) 4.970 6.709 ( -3.942 2.764 -1.235) 4.970 7.104 ( -0.757 -3.444 -0.316) 3.540 7.104 ( -0.757 3.444 -0.316) 3.540 7.274 ( 2.356 -1.385 -0.678) 2.816 7.274 ( 2.356 1.385 -0.678) 2.816 7.494 ( -2.323 -4.166 -1.289) 4.941 7.494 ( -2.323 4.166 -1.289) 4.941 8.137 ( -0.638 -1.491 -0.824) 1.819 8.137 ( -0.638 1.491 -0.824) 1.819 8.327 ( 3.580 -11.141 -2.599) 11.987 8.327 ( 3.580 11.141 -2.599) 11.987 9.583 ( -3.808 -1.218 -3.573) 5.362 9.583 ( -3.808 1.218 -3.573) 5.362 9.687 ( 3.216 -0.811 3.056) 4.510 9.687 ( 3.216 0.811 3.056) 4.510 10.724 ( -2.751 -3.427 0.243) 4.401 10.724 ( -2.751 3.427 0.243) 4.401 11.955 ( -1.634 -8.972 4.524) 10.180 11.955 ( -1.634 8.972 4.524) 10.180 12.814 ( -2.516 -2.555 0.878) 3.692 12.814 ( -2.516 2.555 0.878) 3.692 13.130 ( -5.701 -4.384 -4.184) 8.320 13.130 ( -5.701 4.384 -4.184) 8.320 13.924 ( 0.550 -6.876 -1.150) 6.993 13.924 ( 0.550 6.876 -1.150) 6.993 14.332 ( 4.413 -3.205 1.786) 5.739 14.332 ( 4.413 3.205 1.786) 5.739 14.898 ( 6.393 -2.727 -1.570) 7.125 14.898 ( 6.393 2.727 -1.570) 7.125 15.748 ( 2.821 -9.680 2.979) 10.513 15.748 ( 2.821 9.680 2.979) 10.513 19.309 ( 1.179 -4.348 -0.077) 4.505 19.309 ( 1.179 4.348 -0.077) 4.505 24.542 ( 1.743 -1.079 0.080) 2.051 24.542 ( 1.743 1.079 0.080) 2.051 25.716 ( 1.591 -3.224 0.567) 3.640 25.716 ( 1.591 3.224 0.567) 3.640 26.414 ( -2.845 -0.993 0.070) 3.014 26.414 ( -2.845 0.993 0.070) 3.014 27.842 ( -5.635 -4.650 -2.274) 7.652 27.842 ( -5.635 4.650 -2.274) 7.652 28.866 ( 0.448 -2.239 1.243) 2.600 28.866 ( 0.448 2.239 1.243) 2.600 29.489 ( 0.048 -5.040 -2.100) 5.461 29.489 ( 0.048 5.040 -2.100) 5.461 31.201 ( 2.770 -1.215 1.893) 3.569 31.201 ( 2.770 1.215 1.893) 3.569 ======================= Grid point 189 (106/108) ======================= q-point: (-0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -7.876 -5.655 3.831) 10.425 1.844 ( -7.876 5.655 3.831) 10.425 2.125 ( -11.839 -8.180 5.538) 15.419 2.125 ( -11.839 8.180 5.538) 15.419 2.369 ( -3.005 -3.463 2.060) 5.027 2.369 ( -3.005 3.463 2.060) 5.027 2.660 ( -3.153 -5.570 0.701) 6.439 2.660 ( -3.153 5.570 0.701) 6.439 2.835 ( -0.140 -2.181 1.259) 2.522 2.835 ( -0.140 2.181 1.259) 2.522 3.048 ( -2.334 -2.198 -1.551) 3.561 3.048 ( -2.334 2.198 -1.551) 3.561 3.272 ( 0.033 -7.189 0.460) 7.204 3.272 ( 0.033 7.189 0.460) 7.204 3.380 ( 0.789 -5.007 -1.782) 5.373 3.380 ( 0.789 5.007 -1.782) 5.373 3.627 ( 1.263 -5.280 1.541) 5.644 3.627 ( 1.263 5.280 1.541) 5.644 3.889 ( -1.257 -2.361 -0.822) 2.798 3.889 ( -1.257 2.361 -0.822) 2.798 4.098 ( -2.210 -6.061 2.758) 7.017 4.098 ( -2.210 6.061 2.758) 7.017 4.254 ( 1.174 -2.040 2.843) 3.691 4.254 ( 1.174 2.040 2.843) 3.691 4.527 ( 1.562 -2.702 1.580) 3.498 4.527 ( 1.562 2.702 1.580) 3.498 4.686 ( 6.837 -3.418 -3.161) 8.272 4.686 ( 6.837 3.418 -3.161) 8.272 4.809 ( 2.215 -4.096 -0.015) 4.656 4.809 ( 2.215 4.096 -0.015) 4.656 5.056 ( 1.498 -1.349 0.140) 2.021 5.056 ( 1.498 1.349 0.140) 2.021 5.193 ( -2.136 -3.015 -2.285) 4.344 5.193 ( -2.136 3.015 -2.285) 4.344 5.522 ( 1.548 -1.395 3.677) 4.226 5.522 ( 1.548 1.395 3.677) 4.226 5.737 ( -0.348 -3.135 -0.329) 3.172 5.737 ( -0.348 3.135 -0.329) 3.172 5.957 ( -0.491 -3.072 3.064) 4.367 5.957 ( -0.491 3.072 3.064) 4.367 6.407 ( -2.800 -2.251 -1.157) 3.774 6.407 ( -2.800 2.251 -1.157) 3.774 6.648 ( -2.186 -2.806 -0.803) 3.647 6.648 ( -2.186 2.806 -0.803) 3.647 7.040 ( -4.557 -5.809 -1.060) 7.459 7.040 ( -4.557 5.809 -1.060) 7.459 7.284 ( -3.084 -2.503 -4.500) 6.002 7.284 ( -3.084 2.503 -4.500) 6.002 7.450 ( 0.485 -4.543 0.511) 4.597 7.450 ( 0.485 4.543 0.511) 4.597 8.117 ( -0.626 -2.311 -0.709) 2.497 8.117 ( -0.626 2.311 -0.709) 2.497 8.390 ( 5.399 -12.119 -4.772) 14.099 8.390 ( 5.399 12.119 -4.772) 14.099 9.471 ( -5.146 -2.011 -4.800) 7.319 9.471 ( -5.146 2.011 -4.800) 7.319 9.784 ( 4.764 -2.460 4.546) 7.029 9.784 ( 4.764 2.460 4.546) 7.029 10.657 ( -4.859 -3.139 1.270) 5.922 10.657 ( -4.859 3.139 1.270) 5.922 11.977 ( 0.162 -6.133 6.731) 9.108 11.977 ( 0.162 6.133 6.731) 9.108 12.697 ( -9.856 -4.555 -2.898) 11.238 12.697 ( -9.856 4.555 -2.898) 11.238 13.015 ( -3.149 -2.770 -0.564) 4.232 13.015 ( -3.149 2.770 -0.564) 4.232 13.920 ( 0.488 -6.784 -1.768) 7.027 13.920 ( 0.488 6.784 -1.768) 7.027 14.454 ( 7.123 -5.313 -0.523) 8.902 14.454 ( 7.123 5.313 -0.523) 8.902 15.030 ( 8.341 -6.752 -1.677) 10.862 15.030 ( 8.341 6.752 -1.677) 10.862 15.862 ( 6.097 -8.897 5.452) 12.085 15.862 ( 6.097 8.897 5.452) 12.085 19.341 ( 2.461 -4.921 -0.095) 5.503 19.341 ( 2.461 4.921 -0.095) 5.503 24.593 ( 3.476 -1.687 0.373) 3.882 24.593 ( 3.476 1.687 0.373) 3.882 25.749 ( 2.173 -3.866 -1.955) 4.847 25.749 ( 2.173 3.866 -1.955) 4.847 26.365 ( -3.846 -3.181 4.770) 6.904 26.365 ( -3.846 3.181 4.770) 6.904 27.651 ( -11.607 -6.816 -5.380) 14.496 27.651 ( -11.607 6.816 -5.380) 14.496 28.863 ( -0.836 -2.675 -2.156) 3.535 28.863 ( -0.836 2.675 -2.156) 3.535 29.493 ( 1.534 -8.119 0.168) 8.264 29.493 ( 1.534 8.119 0.168) 8.264 31.300 ( 5.805 -2.804 3.330) 7.256 31.300 ( 5.805 2.804 3.330) 7.256 ======================= Grid point 191 (107/108) ======================= q-point: (-0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -8.000 -6.542 4.802) 11.395 1.720 ( -8.000 6.542 4.802) 11.395 1.975 ( -9.286 -11.209 11.316) 18.436 1.975 ( -9.286 11.209 11.316) 18.436 2.329 ( -3.015 -3.813 1.654) 5.135 2.329 ( -3.015 3.813 1.654) 5.135 2.574 ( -4.763 -4.442 -3.454) 7.372 2.574 ( -4.763 4.442 -3.454) 7.372 2.833 ( -1.495 -2.835 -0.087) 3.206 2.833 ( -1.495 2.835 -0.087) 3.206 2.989 ( -3.549 -3.256 1.199) 4.963 2.989 ( -3.549 3.256 1.199) 4.963 3.244 ( -1.457 -7.903 0.752) 8.071 3.244 ( -1.457 7.903 0.752) 8.071 3.375 ( -1.543 -5.104 0.729) 5.381 3.375 ( -1.543 5.104 0.729) 5.381 3.627 ( -2.141 -9.575 0.322) 9.817 3.627 ( -2.141 9.575 0.322) 9.817 3.881 ( 0.576 -2.872 0.573) 2.985 3.881 ( 0.576 2.872 0.573) 2.985 4.088 ( 0.249 -3.282 1.379) 3.569 4.088 ( 0.249 3.282 1.379) 3.569 4.288 ( 0.700 -1.688 1.373) 2.286 4.288 ( 0.700 1.688 1.373) 2.286 4.543 ( -0.302 -4.871 2.066) 5.300 4.543 ( -0.302 4.871 2.066) 5.300 4.776 ( 5.401 -1.468 -2.388) 6.085 4.776 ( 5.401 1.468 -2.388) 6.085 4.906 ( 5.999 -2.799 -1.831) 6.868 4.906 ( 5.999 2.799 -1.831) 6.868 5.077 ( -1.348 -3.044 -1.111) 3.509 5.077 ( -1.348 3.044 -1.111) 3.509 5.163 ( 3.206 -2.819 1.390) 4.490 5.163 ( 3.206 2.819 1.390) 4.490 5.579 ( 1.269 -2.708 3.308) 4.459 5.579 ( 1.269 2.708 3.308) 4.459 5.702 ( -2.513 -3.843 -2.484) 5.221 5.702 ( -2.513 3.843 -2.484) 5.221 5.976 ( 0.089 -4.037 0.861) 4.129 5.976 ( 0.089 4.037 0.861) 4.129 6.363 ( -0.996 -3.365 0.186) 3.515 6.363 ( -0.996 3.365 0.186) 3.515 6.598 ( -3.828 -3.084 2.055) 5.328 6.598 ( -3.828 3.084 2.055) 5.328 6.916 ( -7.274 -5.670 -3.624) 9.909 6.916 ( -7.274 5.670 -3.624) 9.909 7.152 ( -5.261 -2.483 -2.547) 6.351 7.152 ( -5.261 2.483 -2.547) 6.351 7.490 ( 2.246 -5.651 -1.722) 6.320 7.490 ( 2.246 5.651 -1.722) 6.320 8.114 ( 0.555 -3.390 0.540) 3.478 8.114 ( 0.555 3.390 0.540) 3.478 8.463 ( 5.878 -13.417 -6.052) 15.849 8.463 ( 5.878 13.417 -6.052) 15.849 9.338 ( -5.355 -3.142 -5.215) 8.108 9.338 ( -5.355 3.142 -5.215) 8.108 9.922 ( 6.144 -4.136 5.732) 9.365 9.922 ( 6.144 4.136 5.732) 9.365 10.564 ( -5.596 -3.488 1.543) 6.772 10.564 ( -5.596 3.488 1.543) 6.772 12.020 ( -1.342 -2.955 4.919) 5.893 12.020 ( -1.342 2.955 4.919) 5.893 12.470 ( -9.330 -3.874 -2.841) 10.495 12.470 ( -9.330 3.874 -2.841) 10.495 12.997 ( -0.239 -3.262 2.333) 4.017 12.997 ( -0.239 3.262 2.333) 4.017 13.932 ( 2.005 -6.296 -1.507) 6.777 13.932 ( 2.005 6.296 -1.507) 6.777 14.563 ( 5.215 -6.377 -2.929) 8.743 14.563 ( 5.215 6.377 -2.929) 8.743 15.170 ( 7.214 -11.542 -1.916) 13.745 15.170 ( 7.214 11.542 -1.916) 13.745 16.028 ( 7.081 -6.860 6.262) 11.680 16.028 ( 7.081 6.860 6.262) 11.680 19.401 ( 3.674 -6.053 0.357) 7.090 19.401 ( 3.674 6.053 0.357) 7.090 24.673 ( 4.553 -2.438 0.419) 5.181 24.673 ( 4.553 2.438 0.419) 5.181 25.759 ( 0.646 -4.380 -4.259) 6.143 25.759 ( 0.646 4.380 -4.259) 6.143 26.337 ( -3.152 -5.976 7.253) 9.912 26.337 ( -3.152 5.976 7.253) 9.912 27.367 ( -13.927 -5.352 -5.497) 15.900 27.367 ( -13.927 5.352 -5.497) 15.900 28.805 ( -2.782 -4.702 -4.579) 7.128 28.805 ( -2.782 4.702 -4.579) 7.128 29.552 ( 3.837 -11.115 1.445) 11.847 29.552 ( 3.837 11.115 1.445) 11.847 31.449 ( 7.135 -4.848 3.716) 9.393 31.449 ( 7.135 4.848 3.716) 9.393 ======================= Grid point 193 (108/108) ======================= q-point: (-0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -5.911 -7.174 3.608) 9.971 1.613 ( -5.911 7.174 3.608) 9.971 1.912 ( -6.844 -11.309 14.787) 19.834 1.912 ( -6.844 11.309 14.787) 19.834 2.271 ( -2.067 -3.793 -2.978) 5.247 2.271 ( -2.067 3.793 -2.978) 5.247 2.472 ( -3.865 -3.778 -0.302) 5.413 2.472 ( -3.865 3.778 -0.302) 5.413 2.764 ( -3.945 -2.081 -3.238) 5.512 2.764 ( -3.945 2.081 -3.238) 5.512 2.959 ( -0.577 -2.919 2.724) 4.034 2.959 ( -0.577 2.919 2.724) 4.034 3.249 ( 0.500 -6.204 1.135) 6.327 3.249 ( 0.500 6.204 1.135) 6.327 3.337 ( -1.944 -5.889 0.851) 6.260 3.337 ( -1.944 5.889 0.851) 6.260 3.594 ( -2.140 -10.107 4.571) 11.297 3.594 ( -2.140 10.107 4.571) 11.297 3.901 ( 1.266 -3.537 -0.635) 3.810 3.901 ( 1.266 3.537 -0.635) 3.810 4.079 ( -1.697 -3.153 -3.678) 5.133 4.079 ( -1.697 3.153 -3.678) 5.133 4.308 ( 1.477 -2.332 -0.153) 2.765 4.308 ( 1.477 2.332 -0.153) 2.765 4.577 ( 2.431 -4.987 2.127) 5.941 4.577 ( 2.431 4.987 2.127) 5.941 4.824 ( 1.334 -4.647 -2.385) 5.391 4.824 ( 1.334 4.647 -2.385) 5.391 4.970 ( 1.320 -3.706 -0.767) 4.008 4.970 ( 1.320 3.706 -0.767) 4.008 5.092 ( 4.111 -4.173 0.757) 5.907 5.092 ( 4.111 4.173 0.757) 5.907 5.263 ( 4.426 -2.025 1.383) 5.060 5.263 ( 4.426 2.025 1.383) 5.060 5.549 ( -4.927 -4.013 -1.380) 6.503 5.549 ( -4.927 4.013 -1.380) 6.503 5.671 ( -0.239 -3.493 2.600) 4.361 5.671 ( -0.239 3.493 2.600) 4.361 5.940 ( -3.268 -1.089 -4.001) 5.280 5.940 ( -3.268 1.089 -4.001) 5.280 6.365 ( 0.041 -2.328 2.443) 3.375 6.365 ( 0.041 2.328 2.443) 3.375 6.530 ( -3.708 -0.575 2.652) 4.595 6.530 ( -3.708 0.575 2.652) 4.595 6.799 ( -2.523 -3.195 0.076) 4.072 6.799 ( -2.523 3.195 0.076) 4.072 7.071 ( -2.253 -2.658 -3.105) 4.667 7.071 ( -2.253 2.658 -3.105) 4.667 7.491 ( -0.218 -6.925 -3.555) 7.788 7.491 ( -0.218 6.925 -3.555) 7.788 8.144 ( 1.574 -5.198 1.524) 5.641 8.144 ( 1.574 5.198 1.524) 5.641 8.526 ( 4.468 -14.329 -5.601) 16.020 8.526 ( 4.468 14.329 -5.601) 16.020 9.215 ( -4.271 -3.320 -4.096) 6.785 9.215 ( -4.271 3.320 -4.096) 6.785 10.065 ( 4.701 -3.835 4.863) 7.775 10.065 ( 4.701 3.835 4.863) 7.775 10.492 ( -2.415 -4.563 1.437) 5.359 10.492 ( -2.415 4.563 1.437) 5.359 11.930 ( -8.281 -0.464 -0.270) 8.298 11.930 ( -8.281 0.464 -0.270) 8.298 12.396 ( 0.780 -1.441 1.437) 2.179 12.396 ( 0.780 1.441 1.437) 2.179 13.018 ( 0.653 -3.555 2.490) 4.389 13.018 ( 0.653 3.555 2.490) 4.389 13.971 ( 2.545 -5.335 -0.943) 5.986 13.971 ( 2.545 5.335 -0.943) 5.986 14.608 ( 1.745 -5.815 -3.123) 6.828 14.608 ( 1.745 5.815 -3.123) 6.828 15.257 ( 3.177 -14.320 -2.530) 14.885 15.257 ( 3.177 14.320 -2.530) 14.885 16.186 ( 5.247 -3.775 5.447) 8.453 16.186 ( 5.247 3.775 5.447) 8.453 19.471 ( 3.016 -7.629 0.636) 8.229 19.471 ( 3.016 7.629 0.636) 8.229 24.756 ( 3.623 -3.176 0.259) 4.825 24.756 ( 3.623 3.176 0.259) 4.825 25.722 ( -1.376 -4.545 -4.127) 6.291 25.722 ( -1.376 4.545 -4.127) 6.291 26.328 ( -2.200 -7.753 4.998) 9.483 26.328 ( -2.200 7.753 4.998) 9.483 27.115 ( -8.802 -1.703 -2.416) 9.285 27.115 ( -8.802 1.703 -2.416) 9.285 28.721 ( -2.787 -5.466 -3.808) 7.221 28.721 ( -2.787 5.466 -3.808) 7.221 29.635 ( 3.811 -12.838 0.215) 13.393 29.635 ( 3.811 12.838 0.215) 13.393 31.592 ( 5.209 -6.628 2.863) 8.903 31.592 ( 5.209 6.628 2.863) 8.903 =================== 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 3/25200 10.0 1337.165 948.156 1229.511 0.000 -98.309 0.000 3/25200 20.0 138.825 90.291 125.996 0.000 -13.843 0.000 3/25200 30.0 41.053 25.280 35.499 0.000 -4.297 0.000 3/25200 40.0 19.806 12.024 16.657 0.000 -2.012 0.000 3/25200 50.0 12.179 7.401 10.093 0.000 -1.191 0.000 3/25200 60.0 8.584 5.243 7.053 0.000 -0.811 0.000 3/25200 70.0 6.581 4.040 5.376 0.000 -0.603 0.000 3/25200 80.0 5.331 3.288 4.337 0.000 -0.475 0.000 3/25200 90.0 4.486 2.777 3.638 0.000 -0.390 0.000 3/25200 100.0 3.880 2.410 3.139 0.000 -0.330 0.000 3/25200 110.0 3.426 2.134 2.766 0.000 -0.285 0.000 3/25200 120.0 3.073 1.919 2.477 0.000 -0.251 0.000 3/25200 130.0 2.791 1.747 2.246 0.000 -0.224 0.000 3/25200 140.0 2.561 1.606 2.058 0.000 -0.202 0.000 3/25200 150.0 2.369 1.488 1.902 0.000 -0.184 0.000 3/25200 160.0 2.206 1.388 1.770 0.000 -0.168 0.000 3/25200 170.0 2.067 1.302 1.656 0.000 -0.155 0.000 3/25200 180.0 1.946 1.227 1.558 0.000 -0.144 0.000 3/25200 190.0 1.840 1.162 1.472 0.000 -0.134 0.000 3/25200 200.0 1.746 1.104 1.396 0.000 -0.126 0.000 3/25200 210.0 1.662 1.052 1.328 0.000 -0.118 0.000 3/25200 220.0 1.586 1.006 1.267 0.000 -0.111 0.000 3/25200 230.0 1.518 0.964 1.212 0.000 -0.105 0.000 3/25200 240.0 1.457 0.926 1.162 0.000 -0.100 0.000 3/25200 250.0 1.400 0.891 1.117 0.000 -0.095 0.000 3/25200 260.0 1.348 0.859 1.075 0.000 -0.090 0.000 3/25200 270.0 1.301 0.830 1.037 0.000 -0.086 0.000 3/25200 280.0 1.257 0.803 1.001 0.000 -0.082 0.000 3/25200 290.0 1.216 0.778 0.968 0.000 -0.078 0.000 3/25200 300.0 1.178 0.754 0.938 0.000 -0.075 0.000 3/25200 310.0 1.142 0.733 0.909 0.000 -0.072 0.000 3/25200 320.0 1.109 0.712 0.882 0.000 -0.069 0.000 3/25200 330.0 1.077 0.693 0.857 0.000 -0.067 0.000 3/25200 340.0 1.048 0.675 0.834 0.000 -0.064 0.000 3/25200 350.0 1.020 0.658 0.811 0.000 -0.062 0.000 3/25200 360.0 0.994 0.641 0.790 0.000 -0.060 0.000 3/25200 370.0 0.969 0.626 0.771 0.000 -0.058 0.000 3/25200 380.0 0.946 0.612 0.752 0.000 -0.056 0.000 3/25200 390.0 0.923 0.598 0.734 0.000 -0.054 0.000 3/25200 400.0 0.902 0.585 0.717 0.000 -0.052 0.000 3/25200 410.0 0.882 0.572 0.701 0.000 -0.051 0.000 3/25200 420.0 0.862 0.560 0.685 0.000 -0.049 0.000 3/25200 430.0 0.844 0.549 0.670 0.000 -0.048 0.000 3/25200 440.0 0.826 0.538 0.656 0.000 -0.046 0.000 3/25200 450.0 0.809 0.527 0.643 0.000 -0.045 0.000 3/25200 460.0 0.793 0.517 0.630 0.000 -0.044 0.000 3/25200 470.0 0.777 0.507 0.617 0.000 -0.043 0.000 3/25200 480.0 0.762 0.498 0.605 0.000 -0.042 0.000 3/25200 490.0 0.748 0.489 0.594 0.000 -0.041 0.000 3/25200 500.0 0.734 0.480 0.583 0.000 -0.040 0.000 3/25200 510.0 0.721 0.472 0.572 0.000 -0.039 0.000 3/25200 520.0 0.708 0.464 0.562 0.000 -0.038 0.000 3/25200 530.0 0.695 0.456 0.552 0.000 -0.037 0.000 3/25200 540.0 0.683 0.449 0.543 0.000 -0.036 0.000 3/25200 550.0 0.672 0.442 0.533 0.000 -0.035 0.000 3/25200 560.0 0.661 0.434 0.524 0.000 -0.035 0.000 3/25200 570.0 0.650 0.428 0.516 0.000 -0.034 0.000 3/25200 580.0 0.639 0.421 0.507 0.000 -0.033 0.000 3/25200 590.0 0.629 0.415 0.499 0.000 -0.032 0.000 3/25200 600.0 0.619 0.408 0.492 0.000 -0.032 0.000 3/25200 610.0 0.610 0.402 0.484 0.000 -0.031 0.000 3/25200 620.0 0.601 0.397 0.477 0.000 -0.031 0.000 3/25200 630.0 0.592 0.391 0.470 0.000 -0.030 0.000 3/25200 640.0 0.583 0.385 0.463 0.000 -0.029 0.000 3/25200 650.0 0.575 0.380 0.456 0.000 -0.029 0.000 3/25200 660.0 0.566 0.375 0.449 0.000 -0.028 0.000 3/25200 670.0 0.558 0.370 0.443 0.000 -0.028 0.000 3/25200 680.0 0.551 0.365 0.437 0.000 -0.027 0.000 3/25200 690.0 0.543 0.360 0.431 0.000 -0.027 0.000 3/25200 700.0 0.536 0.355 0.425 0.000 -0.027 0.000 3/25200 710.0 0.529 0.351 0.419 0.000 -0.026 0.000 3/25200 720.0 0.522 0.346 0.414 0.000 -0.026 0.000 3/25200 730.0 0.515 0.342 0.409 0.000 -0.025 0.000 3/25200 740.0 0.508 0.338 0.403 0.000 -0.025 0.000 3/25200 750.0 0.502 0.333 0.398 0.000 -0.025 0.000 3/25200 760.0 0.496 0.329 0.393 0.000 -0.024 0.000 3/25200 770.0 0.490 0.326 0.388 0.000 -0.024 0.000 3/25200 780.0 0.484 0.322 0.384 0.000 -0.023 0.000 3/25200 790.0 0.478 0.318 0.379 0.000 -0.023 0.000 3/25200 800.0 0.472 0.314 0.374 0.000 -0.023 0.000 3/25200 810.0 0.466 0.311 0.370 0.000 -0.022 0.000 3/25200 820.0 0.461 0.307 0.366 0.000 -0.022 0.000 3/25200 830.0 0.456 0.304 0.361 0.000 -0.022 0.000 3/25200 840.0 0.451 0.300 0.357 0.000 -0.022 0.000 3/25200 850.0 0.445 0.297 0.353 0.000 -0.021 0.000 3/25200 860.0 0.440 0.294 0.349 0.000 -0.021 0.000 3/25200 870.0 0.436 0.291 0.346 0.000 -0.021 0.000 3/25200 880.0 0.431 0.288 0.342 0.000 -0.020 0.000 3/25200 890.0 0.426 0.285 0.338 0.000 -0.020 0.000 3/25200 900.0 0.422 0.282 0.334 0.000 -0.020 0.000 3/25200 910.0 0.417 0.279 0.331 0.000 -0.020 0.000 3/25200 920.0 0.413 0.276 0.327 0.000 -0.019 0.000 3/25200 930.0 0.409 0.273 0.324 0.000 -0.019 0.000 3/25200 940.0 0.404 0.270 0.321 0.000 -0.019 0.000 3/25200 950.0 0.400 0.268 0.317 0.000 -0.019 0.000 3/25200 960.0 0.396 0.265 0.314 0.000 -0.019 0.000 3/25200 970.0 0.392 0.262 0.311 0.000 -0.018 0.000 3/25200 980.0 0.389 0.260 0.308 0.000 -0.018 0.000 3/25200 990.0 0.385 0.257 0.305 0.000 -0.018 0.000 3/25200 1000.0 0.381 0.255 0.302 0.000 -0.018 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m1047.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:07:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|