# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/4cb327e3-8a79-421f-b456-1355f31393ac/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Ge(PbS2)2 / P2_1/c (14) / materials id 560370](https://mdr.nims.go.jp/datasets/4ab0a11b-5324-4281-8bb4-626f01de8e7a) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 15:50:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 7.847045666113450 0.000000000000000 0.000000000000000 b 0.000000000000000 9.174501849999999 0.000000000000000 c -4.521531803597349 0.000000000000000 9.785565507143824Atomic positions (fractional): *1 Ge 0.71527745557292 0.18890543694425 0.50550131594977 72.640 2 Ge 0.28472254442708 0.68890543694425 0.99449868405023 72.640 3 Ge 0.28472254442708 0.81109456305575 0.49449868405023 72.640 4 Ge 0.71527745557292 0.31109456305575 0.00550131594977 72.640 *5 Pb 0.39578469486451 0.44522231339611 0.64688800726463 207.200 *6 Pb 0.95507234689401 0.66604501621997 0.15607019454778 207.200 7 Pb 0.04492765310599 0.16604501621997 0.34392980545222 207.200 8 Pb 0.04492765310599 0.33395498378003 0.84392980545222 207.200 9 Pb 0.60421530513549 0.55477768660389 0.35311199273536 207.200 10 Pb 0.39578469486451 0.05477768660389 0.14688800726463 207.200 11 Pb 0.60421530513549 0.94522231339611 0.85311199273537 207.200 12 Pb 0.95507234689401 0.83395498378003 0.65607019454778 207.200 *13 S 0.56077688530418 0.79815447861645 0.10233272637834 32.065 *14 S 0.21861996297216 0.90533468501240 0.29052309848191 32.065 *15 S 0.25187908620047 0.98648100150404 0.62547060743437 32.065 *16 S 0.92475934522629 0.13404833370284 0.05400310605217 32.065 17 S 0.43922311469582 0.29815447861645 0.39766727362166 32.065 18 S 0.43922311469582 0.20184552138355 0.89766727362166 32.065 19 S 0.78138003702784 0.40533468501240 0.20947690151809 32.065 20 S 0.56077688530418 0.70184552138355 0.60233272637834 32.065 21 S 0.74812091379953 0.48648100150404 0.87452939256563 32.065 22 S 0.74812091379953 0.01351899849596 0.37452939256563 32.065 23 S 0.21861996297216 0.59466531498760 0.79052309848191 32.065 24 S 0.07524065477371 0.63404833370284 0.44599689394783 32.065 25 S 0.92475934522629 0.36595166629716 0.55400310605217 32.065 26 S 0.78138003702784 0.09466531498760 0.70947690151809 32.065 27 S 0.25187908620047 0.51351899849596 0.12547060743437 32.065 28 S 0.07524065477371 0.86595166629716 0.94599689394783 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.847045666113450 0.000000000000000 0.000000000000000 b 0.000000000000000 9.174501849999999 0.000000000000000 c -4.521531803597349 0.000000000000000 9.785565507143824Atomic positions (fractional): *1 Ge 0.71527745557292 0.18890543694425 0.50550131594977 72.640 > 1 2 Ge 0.28472254442708 0.68890543694425 0.99449868405023 72.640 > 2 3 Ge 0.28472254442708 0.81109456305575 0.49449868405023 72.640 > 3 4 Ge 0.71527745557292 0.31109456305575 0.00550131594977 72.640 > 4 *5 Pb 0.39578469486451 0.44522231339611 0.64688800726463 207.200 > 5 *6 Pb 0.95507234689401 0.66604501621997 0.15607019454778 207.200 > 6 7 Pb 0.04492765310599 0.16604501621997 0.34392980545222 207.200 > 7 8 Pb 0.04492765310599 0.33395498378003 0.84392980545222 207.200 > 8 9 Pb 0.60421530513549 0.55477768660389 0.35311199273536 207.200 > 9 10 Pb 0.39578469486451 0.05477768660389 0.14688800726463 207.200 > 10 11 Pb 0.60421530513549 0.94522231339611 0.85311199273537 207.200 > 11 12 Pb 0.95507234689401 0.83395498378003 0.65607019454778 207.200 > 12 *13 S 0.56077688530418 0.79815447861645 0.10233272637834 32.065 > 13 *14 S 0.21861996297216 0.90533468501240 0.29052309848191 32.065 > 14 *15 S 0.25187908620047 0.98648100150404 0.62547060743437 32.065 > 15 *16 S 0.92475934522629 0.13404833370284 0.05400310605217 32.065 > 16 17 S 0.43922311469582 0.29815447861645 0.39766727362166 32.065 > 17 18 S 0.43922311469582 0.20184552138355 0.89766727362166 32.065 > 18 19 S 0.78138003702784 0.40533468501240 0.20947690151809 32.065 > 19 20 S 0.56077688530418 0.70184552138355 0.60233272637834 32.065 > 20 21 S 0.74812091379953 0.48648100150404 0.87452939256563 32.065 > 21 22 S 0.74812091379953 0.01351899849596 0.37452939256563 32.065 > 22 23 S 0.21861996297216 0.59466531498760 0.79052309848191 32.065 > 23 24 S 0.07524065477371 0.63404833370284 0.44599689394783 32.065 > 24 25 S 0.92475934522629 0.36595166629716 0.55400310605217 32.065 > 25 26 S 0.78138003702784 0.09466531498760 0.70947690151809 32.065 > 26 27 S 0.25187908620047 0.51351899849596 0.12547060743437 32.065 > 27 28 S 0.07524065477371 0.86595166629716 0.94599689394783 32.065 > 28-------------------------------- super cell --------------------------------Lattice vectors: a 15.694091332226900 0.000000000000000 0.000000000000000 b 0.000000000000000 18.349003699999997 0.000000000000000 c -4.521531803597349 0.000000000000000 9.785565507143824Atomic positions (fractional): *1 Ge 0.35763872778646 0.09445271847212 0.50550131594977 72.640 > 1 2 Ge 0.85763872778646 0.09445271847212 0.50550131594977 72.640 > 1 3 Ge 0.35763872778646 0.59445271847212 0.50550131594977 72.640 > 1 4 Ge 0.85763872778646 0.59445271847212 0.50550131594977 72.640 > 1 5 Ge 0.14236127221354 0.34445271847212 0.99449868405023 72.640 > 2 6 Ge 0.64236127221354 0.34445271847212 0.99449868405023 72.640 > 2 7 Ge 0.14236127221354 0.84445271847212 0.99449868405023 72.640 > 2 8 Ge 0.64236127221354 0.84445271847212 0.99449868405023 72.640 > 2 9 Ge 0.14236127221354 0.40554728152788 0.49449868405023 72.640 > 3 10 Ge 0.64236127221354 0.40554728152788 0.49449868405023 72.640 > 3 11 Ge 0.14236127221354 0.90554728152788 0.49449868405023 72.640 > 3 12 Ge 0.64236127221354 0.90554728152788 0.49449868405023 72.640 > 3 13 Ge 0.35763872778646 0.15554728152788 0.00550131594977 72.640 > 4 14 Ge 0.85763872778646 0.15554728152788 0.00550131594977 72.640 > 4 15 Ge 0.35763872778646 0.65554728152788 0.00550131594977 72.640 > 4 16 Ge 0.85763872778646 0.65554728152788 0.00550131594977 72.640 > 4 *17 Pb 0.19789234743226 0.22261115669806 0.64688800726463 207.200 > 5 18 Pb 0.69789234743226 0.22261115669806 0.64688800726463 207.200 > 5 19 Pb 0.19789234743226 0.72261115669806 0.64688800726463 207.200 > 5 20 Pb 0.69789234743226 0.72261115669806 0.64688800726463 207.200 > 5 *21 Pb 0.47753617344701 0.33302250810998 0.15607019454778 207.200 > 6 22 Pb 0.97753617344701 0.33302250810998 0.15607019454778 207.200 > 6 23 Pb 0.47753617344701 0.83302250810998 0.15607019454778 207.200 > 6 24 Pb 0.97753617344701 0.83302250810998 0.15607019454778 207.200 > 6 25 Pb 0.02246382655299 0.08302250810998 0.34392980545222 207.200 > 7 26 Pb 0.52246382655299 0.08302250810998 0.34392980545222 207.200 > 7 27 Pb 0.02246382655299 0.58302250810998 0.34392980545222 207.200 > 7 28 Pb 0.52246382655299 0.58302250810998 0.34392980545222 207.200 > 7 29 Pb 0.02246382655299 0.16697749189002 0.84392980545222 207.200 > 8 30 Pb 0.52246382655299 0.16697749189002 0.84392980545222 207.200 > 8 31 Pb 0.02246382655299 0.66697749189002 0.84392980545222 207.200 > 8 32 Pb 0.52246382655299 0.66697749189002 0.84392980545222 207.200 > 8 33 Pb 0.30210765256774 0.27738884330194 0.35311199273536 207.200 > 9 34 Pb 0.80210765256774 0.27738884330194 0.35311199273536 207.200 > 9 35 Pb 0.30210765256774 0.77738884330194 0.35311199273536 207.200 > 9 36 Pb 0.80210765256774 0.77738884330194 0.35311199273536 207.200 > 9 37 Pb 0.19789234743226 0.02738884330194 0.14688800726463 207.200 > 10 38 Pb 0.69789234743226 0.02738884330194 0.14688800726463 207.200 > 10 39 Pb 0.19789234743226 0.52738884330194 0.14688800726463 207.200 > 10 40 Pb 0.69789234743226 0.52738884330194 0.14688800726463 207.200 > 10 41 Pb 0.30210765256774 0.47261115669806 0.85311199273537 207.200 > 11 42 Pb 0.80210765256774 0.47261115669806 0.85311199273537 207.200 > 11 43 Pb 0.30210765256774 0.97261115669806 0.85311199273537 207.200 > 11 44 Pb 0.80210765256774 0.97261115669806 0.85311199273537 207.200 > 11 45 Pb 0.47753617344701 0.41697749189002 0.65607019454778 207.200 > 12 46 Pb 0.97753617344701 0.41697749189002 0.65607019454778 207.200 > 12 47 Pb 0.47753617344701 0.91697749189002 0.65607019454778 207.200 > 12 48 Pb 0.97753617344701 0.91697749189002 0.65607019454778 207.200 > 12 *49 S 0.28038844265209 0.39907723930822 0.10233272637834 32.065 > 13 50 S 0.78038844265209 0.39907723930822 0.10233272637834 32.065 > 13 51 S 0.28038844265209 0.89907723930822 0.10233272637834 32.065 > 13 52 S 0.78038844265209 0.89907723930822 0.10233272637834 32.065 > 13 *53 S 0.10930998148608 0.45266734250620 0.29052309848191 32.065 > 14 54 S 0.60930998148608 0.45266734250620 0.29052309848191 32.065 > 14 55 S 0.10930998148608 0.95266734250620 0.29052309848191 32.065 > 14 56 S 0.60930998148608 0.95266734250620 0.29052309848191 32.065 > 14 *57 S 0.12593954310024 0.49324050075202 0.62547060743437 32.065 > 15 58 S 0.62593954310024 0.49324050075202 0.62547060743437 32.065 > 15 59 S 0.12593954310024 0.99324050075202 0.62547060743437 32.065 > 15 60 S 0.62593954310024 0.99324050075202 0.62547060743437 32.065 > 15 *61 S 0.46237967261314 0.06702416685142 0.05400310605217 32.065 > 16 62 S 0.96237967261314 0.06702416685142 0.05400310605217 32.065 > 16 63 S 0.46237967261314 0.56702416685142 0.05400310605217 32.065 > 16 64 S 0.96237967261314 0.56702416685142 0.05400310605217 32.065 > 16 65 S 0.21961155734791 0.14907723930822 0.39766727362166 32.065 > 17 66 S 0.71961155734791 0.14907723930822 0.39766727362166 32.065 > 17 67 S 0.21961155734791 0.64907723930822 0.39766727362166 32.065 > 17 68 S 0.71961155734791 0.64907723930822 0.39766727362166 32.065 > 17 69 S 0.21961155734791 0.10092276069178 0.89766727362166 32.065 > 18 70 S 0.71961155734791 0.10092276069178 0.89766727362166 32.065 > 18 71 S 0.21961155734791 0.60092276069178 0.89766727362166 32.065 > 18 72 S 0.71961155734791 0.60092276069178 0.89766727362166 32.065 > 18 73 S 0.39069001851392 0.20266734250620 0.20947690151809 32.065 > 19 74 S 0.89069001851392 0.20266734250620 0.20947690151809 32.065 > 19 75 S 0.39069001851392 0.70266734250620 0.20947690151809 32.065 > 19 76 S 0.89069001851392 0.70266734250620 0.20947690151809 32.065 > 19 77 S 0.28038844265209 0.35092276069178 0.60233272637834 32.065 > 20 78 S 0.78038844265209 0.35092276069178 0.60233272637834 32.065 > 20 79 S 0.28038844265209 0.85092276069178 0.60233272637834 32.065 > 20 80 S 0.78038844265209 0.85092276069178 0.60233272637834 32.065 > 20 81 S 0.37406045689976 0.24324050075202 0.87452939256563 32.065 > 21 82 S 0.87406045689976 0.24324050075202 0.87452939256563 32.065 > 21 83 S 0.37406045689976 0.74324050075202 0.87452939256563 32.065 > 21 84 S 0.87406045689976 0.74324050075202 0.87452939256563 32.065 > 21 85 S 0.37406045689976 0.00675949924798 0.37452939256563 32.065 > 22 86 S 0.87406045689976 0.00675949924798 0.37452939256563 32.065 > 22 87 S 0.37406045689976 0.50675949924798 0.37452939256563 32.065 > 22 88 S 0.87406045689976 0.50675949924798 0.37452939256563 32.065 > 22 89 S 0.10930998148608 0.29733265749380 0.79052309848191 32.065 > 23 90 S 0.60930998148608 0.29733265749380 0.79052309848191 32.065 > 23 91 S 0.10930998148608 0.79733265749380 0.79052309848191 32.065 > 23 92 S 0.60930998148608 0.79733265749380 0.79052309848191 32.065 > 23 93 S 0.03762032738686 0.31702416685142 0.44599689394783 32.065 > 24 94 S 0.53762032738686 0.31702416685142 0.44599689394783 32.065 > 24 95 S 0.03762032738686 0.81702416685142 0.44599689394783 32.065 > 24 96 S 0.53762032738686 0.81702416685142 0.44599689394783 32.065 > 24 97 S 0.46237967261314 0.18297583314858 0.55400310605217 32.065 > 25 98 S 0.96237967261314 0.18297583314858 0.55400310605217 32.065 > 25 99 S 0.46237967261314 0.68297583314858 0.55400310605217 32.065 > 25 100 S 0.96237967261314 0.68297583314858 0.55400310605217 32.065 > 25 101 S 0.39069001851392 0.04733265749380 0.70947690151809 32.065 > 26 102 S 0.89069001851392 0.04733265749380 0.70947690151809 32.065 > 26 103 S 0.39069001851392 0.54733265749380 0.70947690151809 32.065 > 26 104 S 0.89069001851392 0.54733265749380 0.70947690151809 32.065 > 26 105 S 0.12593954310024 0.25675949924798 0.12547060743437 32.065 > 27 106 S 0.62593954310024 0.25675949924798 0.12547060743437 32.065 > 27 107 S 0.12593954310024 0.75675949924798 0.12547060743437 32.065 > 27 108 S 0.62593954310024 0.75675949924798 0.12547060743437 32.065 > 27 109 S 0.03762032738686 0.43297583314858 0.94599689394783 32.065 > 28 110 S 0.53762032738686 0.43297583314858 0.94599689394783 32.065 > 28 111 S 0.03762032738686 0.93297583314858 0.94599689394783 32.065 > 28 112 S 0.53762032738686 0.93297583314858 0.94599689394783 32.065 > 28----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.7236900 0.0000000 -0.0932241 0.0000000 8.1995057 0.0000000 -0.0932242 0.0000000 9.7563396-------------------------- Born effective charges -------------------------- 1 Ge 2.2218438 -0.5108383 -0.0018395 -0.5006900 2.9060832 -0.6886606 -0.0398080 -0.1177967 3.2579347 2 Ge 2.2218438 0.5108383 -0.0018395 0.5006900 2.9060832 0.6886606 -0.0398080 0.1177967 3.2579347 3 Ge 2.2218438 -0.5108383 -0.0018395 -0.5006900 2.9060832 -0.6886606 -0.0398080 -0.1177967 3.2579347 4 Ge 2.2218438 0.5108383 -0.0018395 0.5006900 2.9060832 0.6886606 -0.0398080 0.1177967 3.2579347 5 Pb 3.7853077 -0.1595717 -0.1375374 -0.4056732 3.1154542 -0.4402730 0.1349712 -0.4143119 4.2046773 6 Pb 3.8407145 0.5052194 -0.0589843 0.8383478 3.3965989 0.5815179 -0.3815820 0.3401781 3.7171928 7 Pb 3.8407145 -0.5052194 -0.0589843 -0.8383478 3.3965989 -0.5815179 -0.3815820 -0.3401781 3.7171928 8 Pb 3.8407145 0.5052194 -0.0589843 0.8383478 3.3965989 0.5815179 -0.3815820 0.3401781 3.7171928 9 Pb 3.7853077 -0.1595717 -0.1375374 -0.4056732 3.1154542 -0.4402730 0.1349712 -0.4143119 4.2046773 10 Pb 3.7853077 0.1595717 -0.1375374 0.4056732 3.1154542 0.4402730 0.1349712 0.4143119 4.2046773 11 Pb 3.7853077 0.1595717 -0.1375374 0.4056732 3.1154542 0.4402730 0.1349712 0.4143119 4.2046773 12 Pb 3.8407145 -0.5052194 -0.0589843 -0.8383478 3.3965989 -0.5815179 -0.3815820 -0.3401781 3.7171928 13 S -2.9330977 -0.0742489 0.1139361 -0.0761103 -2.6077565 0.4537764 0.0036248 -0.0380412 -2.0063475 14 S -2.0003024 -0.4420274 0.7684372 -0.4630688 -3.0225194 0.3735228 0.6126690 0.5589694 -2.7109382 15 S -2.7266564 0.0266649 -0.3865651 -0.2114907 -1.7696099 -0.1609414 -0.1690653 0.1049019 -2.9371977 16 S -2.1878094 0.2290892 -0.2974470 0.2588985 -2.0182504 0.1057807 -0.1608097 -0.3501015 -3.5253215 17 S -2.9330977 0.0742489 0.1139361 0.0761103 -2.6077565 -0.4537764 0.0036248 0.0380412 -2.0063475 18 S -2.9330977 -0.0742489 0.1139361 -0.0761103 -2.6077565 0.4537764 0.0036248 -0.0380412 -2.0063475 19 S -2.0003024 0.4420274 0.7684372 0.4630688 -3.0225194 -0.3735228 0.6126690 -0.5589694 -2.7109382 20 S -2.9330977 0.0742489 0.1139361 0.0761103 -2.6077565 -0.4537764 0.0036248 0.0380412 -2.0063475 21 S -2.7266564 -0.0266649 -0.3865651 0.2114907 -1.7696099 0.1609414 -0.1690653 -0.1049019 -2.9371977 22 S -2.7266564 0.0266649 -0.3865651 -0.2114907 -1.7696099 -0.1609414 -0.1690653 0.1049019 -2.9371977 23 S -2.0003024 0.4420274 0.7684372 0.4630688 -3.0225194 -0.3735228 0.6126690 -0.5589694 -2.7109382 24 S -2.1878094 -0.2290892 -0.2974470 -0.2588985 -2.0182504 -0.1057807 -0.1608097 0.3501015 -3.5253215 25 S -2.1878094 -0.2290892 -0.2974470 -0.2588985 -2.0182504 -0.1057807 -0.1608097 0.3501015 -3.5253215 26 S -2.0003024 -0.4420274 0.7684372 -0.4630688 -3.0225194 0.3735228 0.6126690 0.5589694 -2.7109382 27 S -2.7266564 -0.0266649 -0.3865651 0.2114907 -1.7696099 0.1609414 -0.1690653 -0.1049019 -2.9371977 28 S -2.1878094 0.2290892 -0.2974470 0.2588985 -2.0182504 0.1057807 -0.1608097 -0.3501015 -3.5253215----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 336/336Permutation basis: 14448/14448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3654Number of blocks in projector: 3654Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 271 eigenvectors found.(1) Complementary block size: 27(1) Compute compressed projector.(1) Use standard solver.(1) 13 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 271 eigenvectors found.(1) Complementary block size: 27(1) Compute compressed projector.(1) Use standard solver.(1) 13 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 784 / 784(1) 275 eigenvectors found.(1) Complementary block size: 22(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 434Use standard eigh solver.Tree of FC basis block matrices:- (3654, 3592), data: False|-- (434, 427), data: True|-- (434, 427), data: True|-- (434, 427), data: True|-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True|-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True|-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 880 - Time: 1.154Solver_block: 200 / 880 - Time: 0.933Solver_block: 300 / 880 - Time: 0.937Solver_block: 400 / 880 - Time: 0.933Solver_block: 500 / 880 - Time: 0.936Solver_block: 600 / 880 - Time: 0.929Solver_block: 700 / 880 - Time: 0.935Solver_block: 800 / 880 - Time: 0.938Solver_block: 880 / 880 - Time: 0.777Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.646--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336Permutation basis: 14448/14448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3654Number of blocks in projector: 3654Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 271 eigenvectors found.(1) Complementary block size: 27(1) Compute compressed projector.(1) Use standard solver.(1) 13 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 271 eigenvectors found.(1) Complementary block size: 27(1) Compute compressed projector.(1) Use standard solver.(1) 13 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 784 / 784(1) 275 eigenvectors found.(1) Complementary block size: 22(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 434Use standard eigh solver.Tree of FC basis block matrices:- (3654, 3592), data: False|-- (434, 427), data: True|-- (434, 427), data: True|-- (434, 427), data: True|-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True|-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True|-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 15:50:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 15:50:51]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.847045666113450 0.000000000000000 0.000000000000000 b 0.000000000000000 9.174501849999999 0.000000000000000 c -4.521531803597349 0.000000000000000 9.785565507143824Atomic positions (fractional): 1 Ge 0.71527745557292 0.18890543694425 0.50550131594977 72.640 2 Ge 0.28472254442708 0.68890543694425 0.99449868405023 72.640 3 Ge 0.28472254442708 0.81109456305575 0.49449868405023 72.640 4 Ge 0.71527745557292 0.31109456305575 0.00550131594977 72.640 5 Pb 0.39578469486451 0.44522231339611 0.64688800726463 207.200 6 Pb 0.95507234689401 0.66604501621997 0.15607019454778 207.200 7 Pb 0.04492765310599 0.16604501621997 0.34392980545222 207.200 8 Pb 0.04492765310599 0.33395498378003 0.84392980545222 207.200 9 Pb 0.60421530513549 0.55477768660389 0.35311199273536 207.200 10 Pb 0.39578469486451 0.05477768660389 0.14688800726463 207.200 11 Pb 0.60421530513549 0.94522231339611 0.85311199273537 207.200 12 Pb 0.95507234689401 0.83395498378003 0.65607019454778 207.200 13 S 0.56077688530418 0.79815447861645 0.10233272637834 32.065 14 S 0.21861996297216 0.90533468501240 0.29052309848191 32.065 15 S 0.25187908620047 0.98648100150404 0.62547060743437 32.065 16 S 0.92475934522629 0.13404833370284 0.05400310605217 32.065 17 S 0.43922311469582 0.29815447861645 0.39766727362166 32.065 18 S 0.43922311469582 0.20184552138355 0.89766727362166 32.065 19 S 0.78138003702784 0.40533468501240 0.20947690151809 32.065 20 S 0.56077688530418 0.70184552138355 0.60233272637834 32.065 21 S 0.74812091379953 0.48648100150404 0.87452939256563 32.065 22 S 0.74812091379953 0.01351899849596 0.37452939256563 32.065 23 S 0.21861996297216 0.59466531498760 0.79052309848191 32.065 24 S 0.07524065477371 0.63404833370284 0.44599689394783 32.065 25 S 0.92475934522629 0.36595166629716 0.55400310605217 32.065 26 S 0.78138003702784 0.09466531498760 0.70947690151809 32.065 27 S 0.25187908620047 0.51351899849596 0.12547060743437 32.065 28 S 0.07524065477371 0.86595166629716 0.94599689394783 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 15.694091332226900 0.000000000000000 0.000000000000000 b 0.000000000000000 18.349003699999997 0.000000000000000 c -4.521531803597349 0.000000000000000 9.785565507143824Atomic positions (fractional): 1 Ge 0.35763872778646 0.09445271847212 0.50550131594977 72.640 > 1 2 Ge 0.85763872778646 0.09445271847212 0.50550131594977 72.640 > 1 3 Ge 0.35763872778646 0.59445271847212 0.50550131594977 72.640 > 1 4 Ge 0.85763872778646 0.59445271847212 0.50550131594977 72.640 > 1 5 Ge 0.14236127221354 0.34445271847212 0.99449868405023 72.640 > 5 6 Ge 0.64236127221354 0.34445271847212 0.99449868405023 72.640 > 5 7 Ge 0.14236127221354 0.84445271847212 0.99449868405023 72.640 > 5 8 Ge 0.64236127221354 0.84445271847212 0.99449868405023 72.640 > 5 9 Ge 0.14236127221354 0.40554728152788 0.49449868405023 72.640 > 9 10 Ge 0.64236127221354 0.40554728152788 0.49449868405023 72.640 > 9 11 Ge 0.14236127221354 0.90554728152788 0.49449868405023 72.640 > 9 12 Ge 0.64236127221354 0.90554728152788 0.49449868405023 72.640 > 9 13 Ge 0.35763872778646 0.15554728152788 0.00550131594977 72.640 > 13 14 Ge 0.85763872778646 0.15554728152788 0.00550131594977 72.640 > 13 15 Ge 0.35763872778646 0.65554728152788 0.00550131594977 72.640 > 13 16 Ge 0.85763872778646 0.65554728152788 0.00550131594977 72.640 > 13 17 Pb 0.19789234743226 0.22261115669806 0.64688800726463 207.200 > 17 18 Pb 0.69789234743226 0.22261115669806 0.64688800726463 207.200 > 17 19 Pb 0.19789234743226 0.72261115669806 0.64688800726463 207.200 > 17 20 Pb 0.69789234743226 0.72261115669806 0.64688800726463 207.200 > 17 21 Pb 0.47753617344701 0.33302250810998 0.15607019454778 207.200 > 21 22 Pb 0.97753617344701 0.33302250810998 0.15607019454778 207.200 > 21 23 Pb 0.47753617344701 0.83302250810998 0.15607019454778 207.200 > 21 24 Pb 0.97753617344701 0.83302250810998 0.15607019454778 207.200 > 21 25 Pb 0.02246382655299 0.08302250810998 0.34392980545222 207.200 > 25 26 Pb 0.52246382655299 0.08302250810998 0.34392980545222 207.200 > 25 27 Pb 0.02246382655299 0.58302250810998 0.34392980545222 207.200 > 25 28 Pb 0.52246382655299 0.58302250810998 0.34392980545222 207.200 > 25 29 Pb 0.02246382655299 0.16697749189002 0.84392980545222 207.200 > 29 30 Pb 0.52246382655299 0.16697749189002 0.84392980545222 207.200 > 29 31 Pb 0.02246382655299 0.66697749189002 0.84392980545222 207.200 > 29 32 Pb 0.52246382655299 0.66697749189002 0.84392980545222 207.200 > 29 33 Pb 0.30210765256774 0.27738884330194 0.35311199273536 207.200 > 33 34 Pb 0.80210765256774 0.27738884330194 0.35311199273536 207.200 > 33 35 Pb 0.30210765256774 0.77738884330194 0.35311199273536 207.200 > 33 36 Pb 0.80210765256774 0.77738884330194 0.35311199273536 207.200 > 33 37 Pb 0.19789234743226 0.02738884330194 0.14688800726463 207.200 > 37 38 Pb 0.69789234743226 0.02738884330194 0.14688800726463 207.200 > 37 39 Pb 0.19789234743226 0.52738884330194 0.14688800726463 207.200 > 37 40 Pb 0.69789234743226 0.52738884330194 0.14688800726463 207.200 > 37 41 Pb 0.30210765256774 0.47261115669806 0.85311199273537 207.200 > 41 42 Pb 0.80210765256774 0.47261115669806 0.85311199273537 207.200 > 41 43 Pb 0.30210765256774 0.97261115669806 0.85311199273537 207.200 > 41 44 Pb 0.80210765256774 0.97261115669806 0.85311199273537 207.200 > 41 45 Pb 0.47753617344701 0.41697749189002 0.65607019454778 207.200 > 45 46 Pb 0.97753617344701 0.41697749189002 0.65607019454778 207.200 > 45 47 Pb 0.47753617344701 0.91697749189002 0.65607019454778 207.200 > 45 48 Pb 0.97753617344701 0.91697749189002 0.65607019454778 207.200 > 45 49 S 0.28038844265209 0.39907723930822 0.10233272637834 32.065 > 49 50 S 0.78038844265209 0.39907723930822 0.10233272637834 32.065 > 49 51 S 0.28038844265209 0.89907723930822 0.10233272637834 32.065 > 49 52 S 0.78038844265209 0.89907723930822 0.10233272637834 32.065 > 49 53 S 0.10930998148608 0.45266734250620 0.29052309848191 32.065 > 53 54 S 0.60930998148608 0.45266734250620 0.29052309848191 32.065 > 53 55 S 0.10930998148608 0.95266734250620 0.29052309848191 32.065 > 53 56 S 0.60930998148608 0.95266734250620 0.29052309848191 32.065 > 53 57 S 0.12593954310024 0.49324050075202 0.62547060743437 32.065 > 57 58 S 0.62593954310024 0.49324050075202 0.62547060743437 32.065 > 57 59 S 0.12593954310024 0.99324050075202 0.62547060743437 32.065 > 57 60 S 0.62593954310024 0.99324050075202 0.62547060743437 32.065 > 57 61 S 0.46237967261314 0.06702416685142 0.05400310605217 32.065 > 61 62 S 0.96237967261314 0.06702416685142 0.05400310605217 32.065 > 61 63 S 0.46237967261314 0.56702416685142 0.05400310605217 32.065 > 61 64 S 0.96237967261314 0.56702416685142 0.05400310605217 32.065 > 61 65 S 0.21961155734791 0.14907723930822 0.39766727362166 32.065 > 65 66 S 0.71961155734791 0.14907723930822 0.39766727362166 32.065 > 65 67 S 0.21961155734791 0.64907723930822 0.39766727362166 32.065 > 65 68 S 0.71961155734791 0.64907723930822 0.39766727362166 32.065 > 65 69 S 0.21961155734791 0.10092276069178 0.89766727362166 32.065 > 69 70 S 0.71961155734791 0.10092276069178 0.89766727362166 32.065 > 69 71 S 0.21961155734791 0.60092276069178 0.89766727362166 32.065 > 69 72 S 0.71961155734791 0.60092276069178 0.89766727362166 32.065 > 69 73 S 0.39069001851392 0.20266734250620 0.20947690151809 32.065 > 73 74 S 0.89069001851392 0.20266734250620 0.20947690151809 32.065 > 73 75 S 0.39069001851392 0.70266734250620 0.20947690151809 32.065 > 73 76 S 0.89069001851392 0.70266734250620 0.20947690151809 32.065 > 73 77 S 0.28038844265209 0.35092276069178 0.60233272637834 32.065 > 77 78 S 0.78038844265209 0.35092276069178 0.60233272637834 32.065 > 77 79 S 0.28038844265209 0.85092276069178 0.60233272637834 32.065 > 77 80 S 0.78038844265209 0.85092276069178 0.60233272637834 32.065 > 77 81 S 0.37406045689976 0.24324050075202 0.87452939256563 32.065 > 81 82 S 0.87406045689976 0.24324050075202 0.87452939256563 32.065 > 81 83 S 0.37406045689976 0.74324050075202 0.87452939256563 32.065 > 81 84 S 0.87406045689976 0.74324050075202 0.87452939256563 32.065 > 81 85 S 0.37406045689976 0.00675949924798 0.37452939256563 32.065 > 85 86 S 0.87406045689976 0.00675949924798 0.37452939256563 32.065 > 85 87 S 0.37406045689976 0.50675949924798 0.37452939256563 32.065 > 85 88 S 0.87406045689976 0.50675949924798 0.37452939256563 32.065 > 85 89 S 0.10930998148608 0.29733265749380 0.79052309848191 32.065 > 89 90 S 0.60930998148608 0.29733265749380 0.79052309848191 32.065 > 89 91 S 0.10930998148608 0.79733265749380 0.79052309848191 32.065 > 89 92 S 0.60930998148608 0.79733265749380 0.79052309848191 32.065 > 89 93 S 0.03762032738686 0.31702416685142 0.44599689394783 32.065 > 93 94 S 0.53762032738686 0.31702416685142 0.44599689394783 32.065 > 93 95 S 0.03762032738686 0.81702416685142 0.44599689394783 32.065 > 93 96 S 0.53762032738686 0.81702416685142 0.44599689394783 32.065 > 93 97 S 0.46237967261314 0.18297583314858 0.55400310605217 32.065 > 97 98 S 0.96237967261314 0.18297583314858 0.55400310605217 32.065 > 97 99 S 0.46237967261314 0.68297583314858 0.55400310605217 32.065 > 97 100 S 0.96237967261314 0.68297583314858 0.55400310605217 32.065 > 97 101 S 0.39069001851392 0.04733265749380 0.70947690151809 32.065 > 101 102 S 0.89069001851392 0.04733265749380 0.70947690151809 32.065 > 101 103 S 0.39069001851392 0.54733265749380 0.70947690151809 32.065 > 101 104 S 0.89069001851392 0.54733265749380 0.70947690151809 32.065 > 101 105 S 0.12593954310024 0.25675949924798 0.12547060743437 32.065 > 105 106 S 0.62593954310024 0.25675949924798 0.12547060743437 32.065 > 105 107 S 0.12593954310024 0.75675949924798 0.12547060743437 32.065 > 105 108 S 0.62593954310024 0.75675949924798 0.12547060743437 32.065 > 105 109 S 0.03762032738686 0.43297583314858 0.94599689394783 32.065 > 109 110 S 0.53762032738686 0.43297583314858 0.94599689394783 32.065 > 109 111 S 0.03762032738686 0.93297583314858 0.94599689394783 32.065 > 109 112 S 0.53762032738686 0.93297583314858 0.94599689394783 32.065 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.7236900 0.0000000 -0.0932241 0.0000000 8.1995057 0.0000000 -0.0932242 0.0000000 9.7563396-------------------------- Born effective charges -------------------------- 1 Ge 2.2218438 -0.5108383 -0.0018395 -0.5006900 2.9060832 -0.6886606 -0.0398080 -0.1177967 3.2579347 2 Ge 2.2218438 0.5108383 -0.0018395 0.5006900 2.9060832 0.6886606 -0.0398080 0.1177967 3.2579347 3 Ge 2.2218438 -0.5108383 -0.0018395 -0.5006900 2.9060832 -0.6886606 -0.0398080 -0.1177967 3.2579347 4 Ge 2.2218438 0.5108383 -0.0018395 0.5006900 2.9060832 0.6886606 -0.0398080 0.1177967 3.2579347 5 Pb 3.7853077 -0.1595717 -0.1375374 -0.4056732 3.1154542 -0.4402730 0.1349712 -0.4143119 4.2046773 6 Pb 3.8407145 0.5052194 -0.0589843 0.8383478 3.3965989 0.5815179 -0.3815820 0.3401781 3.7171928 7 Pb 3.8407145 -0.5052194 -0.0589843 -0.8383478 3.3965989 -0.5815179 -0.3815820 -0.3401781 3.7171928 8 Pb 3.8407145 0.5052194 -0.0589843 0.8383478 3.3965989 0.5815179 -0.3815820 0.3401781 3.7171928 9 Pb 3.7853077 -0.1595717 -0.1375374 -0.4056732 3.1154542 -0.4402730 0.1349712 -0.4143119 4.2046773 10 Pb 3.7853077 0.1595717 -0.1375374 0.4056732 3.1154542 0.4402730 0.1349712 0.4143119 4.2046773 11 Pb 3.7853077 0.1595717 -0.1375374 0.4056732 3.1154542 0.4402730 0.1349712 0.4143119 4.2046773 12 Pb 3.8407145 -0.5052194 -0.0589843 -0.8383478 3.3965989 -0.5815179 -0.3815820 -0.3401781 3.7171928 13 S -2.9330977 -0.0742489 0.1139361 -0.0761103 -2.6077565 0.4537764 0.0036248 -0.0380412 -2.0063475 14 S -2.0003024 -0.4420274 0.7684372 -0.4630688 -3.0225194 0.3735228 0.6126690 0.5589694 -2.7109382 15 S -2.7266564 0.0266649 -0.3865651 -0.2114907 -1.7696099 -0.1609414 -0.1690653 0.1049019 -2.9371977 16 S -2.1878094 0.2290892 -0.2974470 0.2588985 -2.0182504 0.1057807 -0.1608097 -0.3501015 -3.5253215 17 S -2.9330977 0.0742489 0.1139361 0.0761103 -2.6077565 -0.4537764 0.0036248 0.0380412 -2.0063475 18 S -2.9330977 -0.0742489 0.1139361 -0.0761103 -2.6077565 0.4537764 0.0036248 -0.0380412 -2.0063475 19 S -2.0003024 0.4420274 0.7684372 0.4630688 -3.0225194 -0.3735228 0.6126690 -0.5589694 -2.7109382 20 S -2.9330977 0.0742489 0.1139361 0.0761103 -2.6077565 -0.4537764 0.0036248 0.0380412 -2.0063475 21 S -2.7266564 -0.0266649 -0.3865651 0.2114907 -1.7696099 0.1609414 -0.1690653 -0.1049019 -2.9371977 22 S -2.7266564 0.0266649 -0.3865651 -0.2114907 -1.7696099 -0.1609414 -0.1690653 0.1049019 -2.9371977 23 S -2.0003024 0.4420274 0.7684372 0.4630688 -3.0225194 -0.3735228 0.6126690 -0.5589694 -2.7109382 24 S -2.1878094 -0.2290892 -0.2974470 -0.2588985 -2.0182504 -0.1057807 -0.1608097 0.3501015 -3.5253215 25 S -2.1878094 -0.2290892 -0.2974470 -0.2588985 -2.0182504 -0.1057807 -0.1608097 0.3501015 -3.5253215 26 S -2.0003024 -0.4420274 0.7684372 -0.4630688 -3.0225194 0.3735228 0.6126690 0.5589694 -2.7109382 27 S -2.7266564 -0.0266649 -0.3865651 0.2114907 -1.7696099 0.1609414 -0.1690653 -0.1049019 -2.9371977 28 S -2.1878094 0.2290892 -0.2974470 0.2588985 -2.0182504 0.1057807 -0.1608097 -0.3501015 -3.5253215----------------------------------------------------------------------------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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]Computing fc3[ 21, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]Computing fc3[ 53, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 15:51:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 15:51:24]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.847045666113450 0.000000000000000 0.000000000000000 b 0.000000000000000 9.174501849999999 0.000000000000000 c -4.521531803597349 0.000000000000000 9.785565507143824Atomic positions (fractional): 1 Ge 0.71527745557292 0.18890543694425 0.50550131594977 72.640 2 Ge 0.28472254442708 0.68890543694425 0.99449868405023 72.640 3 Ge 0.28472254442708 0.81109456305575 0.49449868405023 72.640 4 Ge 0.71527745557292 0.31109456305575 0.00550131594977 72.640 5 Pb 0.39578469486451 0.44522231339611 0.64688800726463 207.200 6 Pb 0.95507234689401 0.66604501621997 0.15607019454778 207.200 7 Pb 0.04492765310599 0.16604501621997 0.34392980545222 207.200 8 Pb 0.04492765310599 0.33395498378003 0.84392980545222 207.200 9 Pb 0.60421530513549 0.55477768660389 0.35311199273536 207.200 10 Pb 0.39578469486451 0.05477768660389 0.14688800726463 207.200 11 Pb 0.60421530513549 0.94522231339611 0.85311199273537 207.200 12 Pb 0.95507234689401 0.83395498378003 0.65607019454778 207.200 13 S 0.56077688530418 0.79815447861645 0.10233272637834 32.065 14 S 0.21861996297216 0.90533468501240 0.29052309848191 32.065 15 S 0.25187908620047 0.98648100150404 0.62547060743437 32.065 16 S 0.92475934522629 0.13404833370284 0.05400310605217 32.065 17 S 0.43922311469582 0.29815447861645 0.39766727362166 32.065 18 S 0.43922311469582 0.20184552138355 0.89766727362166 32.065 19 S 0.78138003702784 0.40533468501240 0.20947690151809 32.065 20 S 0.56077688530418 0.70184552138355 0.60233272637834 32.065 21 S 0.74812091379953 0.48648100150404 0.87452939256563 32.065 22 S 0.74812091379953 0.01351899849596 0.37452939256563 32.065 23 S 0.21861996297216 0.59466531498760 0.79052309848191 32.065 24 S 0.07524065477371 0.63404833370284 0.44599689394783 32.065 25 S 0.92475934522629 0.36595166629716 0.55400310605217 32.065 26 S 0.78138003702784 0.09466531498760 0.70947690151809 32.065 27 S 0.25187908620047 0.51351899849596 0.12547060743437 32.065 28 S 0.07524065477371 0.86595166629716 0.94599689394783 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 15.694091332226900 0.000000000000000 0.000000000000000 b 0.000000000000000 18.349003699999997 0.000000000000000 c -4.521531803597349 0.000000000000000 9.785565507143824Atomic positions (fractional): 1 Ge 0.35763872778646 0.09445271847212 0.50550131594977 72.640 > 1 2 Ge 0.85763872778646 0.09445271847212 0.50550131594977 72.640 > 1 3 Ge 0.35763872778646 0.59445271847212 0.50550131594977 72.640 > 1 4 Ge 0.85763872778646 0.59445271847212 0.50550131594977 72.640 > 1 5 Ge 0.14236127221354 0.34445271847212 0.99449868405023 72.640 > 5 6 Ge 0.64236127221354 0.34445271847212 0.99449868405023 72.640 > 5 7 Ge 0.14236127221354 0.84445271847212 0.99449868405023 72.640 > 5 8 Ge 0.64236127221354 0.84445271847212 0.99449868405023 72.640 > 5 9 Ge 0.14236127221354 0.40554728152788 0.49449868405023 72.640 > 9 10 Ge 0.64236127221354 0.40554728152788 0.49449868405023 72.640 > 9 11 Ge 0.14236127221354 0.90554728152788 0.49449868405023 72.640 > 9 12 Ge 0.64236127221354 0.90554728152788 0.49449868405023 72.640 > 9 13 Ge 0.35763872778646 0.15554728152788 0.00550131594977 72.640 > 13 14 Ge 0.85763872778646 0.15554728152788 0.00550131594977 72.640 > 13 15 Ge 0.35763872778646 0.65554728152788 0.00550131594977 72.640 > 13 16 Ge 0.85763872778646 0.65554728152788 0.00550131594977 72.640 > 13 17 Pb 0.19789234743226 0.22261115669806 0.64688800726463 207.200 > 17 18 Pb 0.69789234743226 0.22261115669806 0.64688800726463 207.200 > 17 19 Pb 0.19789234743226 0.72261115669806 0.64688800726463 207.200 > 17 20 Pb 0.69789234743226 0.72261115669806 0.64688800726463 207.200 > 17 21 Pb 0.47753617344701 0.33302250810998 0.15607019454778 207.200 > 21 22 Pb 0.97753617344701 0.33302250810998 0.15607019454778 207.200 > 21 23 Pb 0.47753617344701 0.83302250810998 0.15607019454778 207.200 > 21 24 Pb 0.97753617344701 0.83302250810998 0.15607019454778 207.200 > 21 25 Pb 0.02246382655299 0.08302250810998 0.34392980545222 207.200 > 25 26 Pb 0.52246382655299 0.08302250810998 0.34392980545222 207.200 > 25 27 Pb 0.02246382655299 0.58302250810998 0.34392980545222 207.200 > 25 28 Pb 0.52246382655299 0.58302250810998 0.34392980545222 207.200 > 25 29 Pb 0.02246382655299 0.16697749189002 0.84392980545222 207.200 > 29 30 Pb 0.52246382655299 0.16697749189002 0.84392980545222 207.200 > 29 31 Pb 0.02246382655299 0.66697749189002 0.84392980545222 207.200 > 29 32 Pb 0.52246382655299 0.66697749189002 0.84392980545222 207.200 > 29 33 Pb 0.30210765256774 0.27738884330194 0.35311199273536 207.200 > 33 34 Pb 0.80210765256774 0.27738884330194 0.35311199273536 207.200 > 33 35 Pb 0.30210765256774 0.77738884330194 0.35311199273536 207.200 > 33 36 Pb 0.80210765256774 0.77738884330194 0.35311199273536 207.200 > 33 37 Pb 0.19789234743226 0.02738884330194 0.14688800726463 207.200 > 37 38 Pb 0.69789234743226 0.02738884330194 0.14688800726463 207.200 > 37 39 Pb 0.19789234743226 0.52738884330194 0.14688800726463 207.200 > 37 40 Pb 0.69789234743226 0.52738884330194 0.14688800726463 207.200 > 37 41 Pb 0.30210765256774 0.47261115669806 0.85311199273537 207.200 > 41 42 Pb 0.80210765256774 0.47261115669806 0.85311199273537 207.200 > 41 43 Pb 0.30210765256774 0.97261115669806 0.85311199273537 207.200 > 41 44 Pb 0.80210765256774 0.97261115669806 0.85311199273537 207.200 > 41 45 Pb 0.47753617344701 0.41697749189002 0.65607019454778 207.200 > 45 46 Pb 0.97753617344701 0.41697749189002 0.65607019454778 207.200 > 45 47 Pb 0.47753617344701 0.91697749189002 0.65607019454778 207.200 > 45 48 Pb 0.97753617344701 0.91697749189002 0.65607019454778 207.200 > 45 49 S 0.28038844265209 0.39907723930822 0.10233272637834 32.065 > 49 50 S 0.78038844265209 0.39907723930822 0.10233272637834 32.065 > 49 51 S 0.28038844265209 0.89907723930822 0.10233272637834 32.065 > 49 52 S 0.78038844265209 0.89907723930822 0.10233272637834 32.065 > 49 53 S 0.10930998148608 0.45266734250620 0.29052309848191 32.065 > 53 54 S 0.60930998148608 0.45266734250620 0.29052309848191 32.065 > 53 55 S 0.10930998148608 0.95266734250620 0.29052309848191 32.065 > 53 56 S 0.60930998148608 0.95266734250620 0.29052309848191 32.065 > 53 57 S 0.12593954310024 0.49324050075202 0.62547060743437 32.065 > 57 58 S 0.62593954310024 0.49324050075202 0.62547060743437 32.065 > 57 59 S 0.12593954310024 0.99324050075202 0.62547060743437 32.065 > 57 60 S 0.62593954310024 0.99324050075202 0.62547060743437 32.065 > 57 61 S 0.46237967261314 0.06702416685142 0.05400310605217 32.065 > 61 62 S 0.96237967261314 0.06702416685142 0.05400310605217 32.065 > 61 63 S 0.46237967261314 0.56702416685142 0.05400310605217 32.065 > 61 64 S 0.96237967261314 0.56702416685142 0.05400310605217 32.065 > 61 65 S 0.21961155734791 0.14907723930822 0.39766727362166 32.065 > 65 66 S 0.71961155734791 0.14907723930822 0.39766727362166 32.065 > 65 67 S 0.21961155734791 0.64907723930822 0.39766727362166 32.065 > 65 68 S 0.71961155734791 0.64907723930822 0.39766727362166 32.065 > 65 69 S 0.21961155734791 0.10092276069178 0.89766727362166 32.065 > 69 70 S 0.71961155734791 0.10092276069178 0.89766727362166 32.065 > 69 71 S 0.21961155734791 0.60092276069178 0.89766727362166 32.065 > 69 72 S 0.71961155734791 0.60092276069178 0.89766727362166 32.065 > 69 73 S 0.39069001851392 0.20266734250620 0.20947690151809 32.065 > 73 74 S 0.89069001851392 0.20266734250620 0.20947690151809 32.065 > 73 75 S 0.39069001851392 0.70266734250620 0.20947690151809 32.065 > 73 76 S 0.89069001851392 0.70266734250620 0.20947690151809 32.065 > 73 77 S 0.28038844265209 0.35092276069178 0.60233272637834 32.065 > 77 78 S 0.78038844265209 0.35092276069178 0.60233272637834 32.065 > 77 79 S 0.28038844265209 0.85092276069178 0.60233272637834 32.065 > 77 80 S 0.78038844265209 0.85092276069178 0.60233272637834 32.065 > 77 81 S 0.37406045689976 0.24324050075202 0.87452939256563 32.065 > 81 82 S 0.87406045689976 0.24324050075202 0.87452939256563 32.065 > 81 83 S 0.37406045689976 0.74324050075202 0.87452939256563 32.065 > 81 84 S 0.87406045689976 0.74324050075202 0.87452939256563 32.065 > 81 85 S 0.37406045689976 0.00675949924798 0.37452939256563 32.065 > 85 86 S 0.87406045689976 0.00675949924798 0.37452939256563 32.065 > 85 87 S 0.37406045689976 0.50675949924798 0.37452939256563 32.065 > 85 88 S 0.87406045689976 0.50675949924798 0.37452939256563 32.065 > 85 89 S 0.10930998148608 0.29733265749380 0.79052309848191 32.065 > 89 90 S 0.60930998148608 0.29733265749380 0.79052309848191 32.065 > 89 91 S 0.10930998148608 0.79733265749380 0.79052309848191 32.065 > 89 92 S 0.60930998148608 0.79733265749380 0.79052309848191 32.065 > 89 93 S 0.03762032738686 0.31702416685142 0.44599689394783 32.065 > 93 94 S 0.53762032738686 0.31702416685142 0.44599689394783 32.065 > 93 95 S 0.03762032738686 0.81702416685142 0.44599689394783 32.065 > 93 96 S 0.53762032738686 0.81702416685142 0.44599689394783 32.065 > 93 97 S 0.46237967261314 0.18297583314858 0.55400310605217 32.065 > 97 98 S 0.96237967261314 0.18297583314858 0.55400310605217 32.065 > 97 99 S 0.46237967261314 0.68297583314858 0.55400310605217 32.065 > 97 100 S 0.96237967261314 0.68297583314858 0.55400310605217 32.065 > 97 101 S 0.39069001851392 0.04733265749380 0.70947690151809 32.065 > 101 102 S 0.89069001851392 0.04733265749380 0.70947690151809 32.065 > 101 103 S 0.39069001851392 0.54733265749380 0.70947690151809 32.065 > 101 104 S 0.89069001851392 0.54733265749380 0.70947690151809 32.065 > 101 105 S 0.12593954310024 0.25675949924798 0.12547060743437 32.065 > 105 106 S 0.62593954310024 0.25675949924798 0.12547060743437 32.065 > 105 107 S 0.12593954310024 0.75675949924798 0.12547060743437 32.065 > 105 108 S 0.62593954310024 0.75675949924798 0.12547060743437 32.065 > 105 109 S 0.03762032738686 0.43297583314858 0.94599689394783 32.065 > 109 110 S 0.53762032738686 0.43297583314858 0.94599689394783 32.065 > 109 111 S 0.03762032738686 0.93297583314858 0.94599689394783 32.065 > 109 112 S 0.53762032738686 0.93297583314858 0.94599689394783 32.065 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.7236900 0.0000000 -0.0932241 0.0000000 8.1995057 0.0000000 -0.0932242 0.0000000 9.7563396-------------------------- Born effective charges -------------------------- 1 Ge 2.2218438 -0.5108383 -0.0018395 -0.5006900 2.9060832 -0.6886606 -0.0398080 -0.1177967 3.2579347 2 Ge 2.2218438 0.5108383 -0.0018395 0.5006900 2.9060832 0.6886606 -0.0398080 0.1177967 3.2579347 3 Ge 2.2218438 -0.5108383 -0.0018395 -0.5006900 2.9060832 -0.6886606 -0.0398080 -0.1177967 3.2579347 4 Ge 2.2218438 0.5108383 -0.0018395 0.5006900 2.9060832 0.6886606 -0.0398080 0.1177967 3.2579347 5 Pb 3.7853077 -0.1595717 -0.1375374 -0.4056732 3.1154542 -0.4402730 0.1349712 -0.4143119 4.2046773 6 Pb 3.8407145 0.5052194 -0.0589843 0.8383478 3.3965989 0.5815179 -0.3815820 0.3401781 3.7171928 7 Pb 3.8407145 -0.5052194 -0.0589843 -0.8383478 3.3965989 -0.5815179 -0.3815820 -0.3401781 3.7171928 8 Pb 3.8407145 0.5052194 -0.0589843 0.8383478 3.3965989 0.5815179 -0.3815820 0.3401781 3.7171928 9 Pb 3.7853077 -0.1595717 -0.1375374 -0.4056732 3.1154542 -0.4402730 0.1349712 -0.4143119 4.2046773 10 Pb 3.7853077 0.1595717 -0.1375374 0.4056732 3.1154542 0.4402730 0.1349712 0.4143119 4.2046773 11 Pb 3.7853077 0.1595717 -0.1375374 0.4056732 3.1154542 0.4402730 0.1349712 0.4143119 4.2046773 12 Pb 3.8407145 -0.5052194 -0.0589843 -0.8383478 3.3965989 -0.5815179 -0.3815820 -0.3401781 3.7171928 13 S -2.9330977 -0.0742489 0.1139361 -0.0761103 -2.6077565 0.4537764 0.0036248 -0.0380412 -2.0063475 14 S -2.0003024 -0.4420274 0.7684372 -0.4630688 -3.0225194 0.3735228 0.6126690 0.5589694 -2.7109382 15 S -2.7266564 0.0266649 -0.3865651 -0.2114907 -1.7696099 -0.1609414 -0.1690653 0.1049019 -2.9371977 16 S -2.1878094 0.2290892 -0.2974470 0.2588985 -2.0182504 0.1057807 -0.1608097 -0.3501015 -3.5253215 17 S -2.9330977 0.0742489 0.1139361 0.0761103 -2.6077565 -0.4537764 0.0036248 0.0380412 -2.0063475 18 S -2.9330977 -0.0742489 0.1139361 -0.0761103 -2.6077565 0.4537764 0.0036248 -0.0380412 -2.0063475 19 S -2.0003024 0.4420274 0.7684372 0.4630688 -3.0225194 -0.3735228 0.6126690 -0.5589694 -2.7109382 20 S -2.9330977 0.0742489 0.1139361 0.0761103 -2.6077565 -0.4537764 0.0036248 0.0380412 -2.0063475 21 S -2.7266564 -0.0266649 -0.3865651 0.2114907 -1.7696099 0.1609414 -0.1690653 -0.1049019 -2.9371977 22 S -2.7266564 0.0266649 -0.3865651 -0.2114907 -1.7696099 -0.1609414 -0.1690653 0.1049019 -2.9371977 23 S -2.0003024 0.4420274 0.7684372 0.4630688 -3.0225194 -0.3735228 0.6126690 -0.5589694 -2.7109382 24 S -2.1878094 -0.2290892 -0.2974470 -0.2588985 -2.0182504 -0.1057807 -0.1608097 0.3501015 -3.5253215 25 S -2.1878094 -0.2290892 -0.2974470 -0.2588985 -2.0182504 -0.1057807 -0.1608097 0.3501015 -3.5253215 26 S -2.0003024 -0.4420274 0.7684372 -0.4630688 -3.0225194 0.3735228 0.6126690 0.5589694 -2.7109382 27 S -2.7266564 -0.0266649 -0.3865651 0.2114907 -1.7696099 0.1609414 -0.1690653 -0.1049019 -2.9371977 28 S -2.1878094 0.2290892 -0.2974470 0.2588985 -2.0182504 0.1057807 -0.1608097 -0.3501015 -3.5253215----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 7 5 5 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 305, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/54) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.874 ( 0.000 0.000 0.000) 0.000 0.992 ( 0.000 0.000 0.000) 0.000 1.074 ( 0.000 0.000 0.000) 0.000 1.076 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 0.000 0.000) 0.000 1.289 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.365 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.453 ( 0.000 0.000 0.000) 0.000 1.545 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.125 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.101 ( 0.000 0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 7.095 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 10.346 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.550 ( 0.000 0.000 0.000) 0.000 10.748 ( 0.000 0.000 0.000) 0.000 10.787 ( 0.000 0.000 0.000) 0.000 10.955 ( 0.000 0.000 0.000) 0.000 11.039 ( 0.000 0.000 0.000) 0.000 11.110 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.354 ( 0.000 0.000 0.000) 0.000 11.571 ( 0.000 0.000 0.000) 0.000 11.621 ( 0.000 0.000 0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 11.831 ( 0.000 0.000 0.000) 0.000 11.858 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/54) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.309 ( 9.787 0.000 15.219) 18.094 0.325 ( 15.516 0.000 4.195) 16.073 0.496 ( 21.513 0.000 7.789) 22.880 0.907 ( 0.999 0.000 5.388) 5.480 1.009 ( 0.301 0.000 2.790) 2.806 1.048 ( -0.753 0.000 -1.759) 1.914 1.106 ( 0.955 0.000 -0.261) 0.990 1.119 ( -3.451 0.000 -0.373) 3.471 1.134 ( 2.915 0.000 0.155) 2.919 1.245 ( -2.490 0.000 -0.097) 2.492 1.309 ( -2.122 0.000 3.437) 4.039 1.326 ( -1.336 0.000 -2.058) 2.454 1.370 ( 1.041 0.000 -0.391) 1.112 1.395 ( 1.022 0.000 0.441) 1.113 1.463 ( 1.786 0.000 -3.029) 3.517 1.515 ( -4.823 0.000 0.779) 4.886 1.549 ( -0.686 0.000 0.300) 0.748 1.701 ( 1.582 0.000 -4.390) 4.666 1.715 ( 0.228 0.000 -3.040) 3.048 1.779 ( 2.042 0.000 0.586) 2.124 1.782 ( 3.858 0.000 4.275) 5.758 1.855 ( 1.695 0.000 -3.033) 3.475 1.934 ( -1.355 0.000 5.167) 5.342 2.236 ( 0.239 0.000 -1.838) 1.853 2.305 ( 2.056 0.000 0.767) 2.194 2.468 ( 5.152 0.000 2.428) 5.695 2.566 ( -2.722 0.000 -0.230) 2.731 2.655 ( -0.813 0.000 -0.610) 1.016 2.796 ( 2.795 0.000 -6.280) 6.874 2.805 ( -1.120 0.000 0.442) 1.205 2.866 ( -5.944 0.000 1.458) 6.121 3.107 ( -7.647 0.000 7.132) 10.457 3.174 ( 12.095 0.000 -15.997) 20.054 3.284 ( -6.003 0.000 2.801) 6.624 3.384 ( 3.143 0.000 4.036) 5.115 3.535 ( 8.615 0.000 -0.243) 8.619 3.627 ( -2.057 0.000 0.254) 2.073 3.758 ( -0.811 0.000 -8.029) 8.070 3.762 ( -8.799 0.000 11.764) 14.691 3.993 ( 0.378 0.000 -1.549) 1.595 3.997 ( 6.409 0.000 -2.762) 6.979 4.062 ( 4.142 0.000 5.346) 6.763 4.212 ( -0.023 0.000 -0.774) 0.774 4.286 ( -2.789 0.000 4.345) 5.163 4.559 ( 0.933 0.000 4.705) 4.797 4.767 ( 4.792 0.000 0.818) 4.861 4.983 ( -2.029 0.000 0.351) 2.059 5.090 ( -1.955 0.000 -3.144) 3.702 5.203 ( -1.000 0.000 -3.841) 3.969 5.262 ( 3.638 0.000 -5.534) 6.623 5.287 ( 1.889 0.000 0.843) 2.069 5.450 ( 0.245 0.000 -2.190) 2.204 5.551 ( -2.152 0.000 3.110) 3.782 5.606 ( -0.628 0.000 4.004) 4.053 5.742 ( -9.785 0.000 0.964) 9.833 5.796 ( -6.086 0.000 -2.868) 6.727 5.975 ( -2.172 0.000 1.296) 2.529 6.096 ( -7.920 0.000 -1.596) 8.079 6.275 ( -2.946 0.000 2.718) 4.008 6.310 ( 3.666 0.000 -1.457) 3.945 6.470 ( 0.011 0.000 10.254) 10.254 6.581 ( 2.457 0.000 11.797) 12.050 6.916 ( -1.415 0.000 -7.059) 7.199 7.017 ( -2.434 0.000 -5.858) 6.344 7.171 ( 0.430 0.000 2.154) 2.197 7.233 ( 0.493 0.000 -3.950) 3.981 7.253 ( -1.383 0.000 6.224) 6.376 7.309 ( 1.319 0.000 -1.219) 1.796 10.355 ( -0.690 0.000 0.484) 0.842 10.393 ( -0.685 0.000 2.217) 2.320 10.526 ( -0.709 0.000 -0.487) 0.860 10.537 ( -1.019 0.000 -0.692) 1.232 10.760 ( 0.499 0.000 1.965) 2.028 10.806 ( 1.686 0.000 0.562) 1.777 10.999 ( 0.218 0.000 -5.055) 5.059 11.170 ( 7.772 0.000 -18.470) 20.038 11.196 ( 5.014 0.000 3.947) 6.381 11.337 ( 2.019 0.000 0.665) 2.126 11.466 ( 2.685 0.000 -5.578) 6.190 11.572 ( -0.616 0.000 1.489) 1.612 11.668 ( -4.733 0.000 3.570) 5.929 11.799 ( -4.861 0.000 15.407) 16.156 11.802 ( -2.187 0.000 -1.757) 2.805 11.842 ( -1.415 0.000 -0.763) 1.608======================= Grid point 2 (3/54) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( 9.365 0.000 12.561) 15.668 0.625 ( 13.444 0.000 3.702) 13.944 0.853 ( 8.941 0.000 5.658) 10.580 0.997 ( 2.201 0.000 7.771) 8.076 1.013 ( -1.952 0.000 -0.836) 2.124 1.033 ( -2.015 0.000 4.795) 5.201 1.046 ( -2.018 0.000 -2.344) 3.093 1.101 ( -0.525 0.000 -0.516) 0.736 1.176 ( -0.108 0.000 -1.286) 1.290 1.210 ( -0.127 0.000 2.977) 2.979 1.260 ( -4.422 0.000 3.480) 5.628 1.305 ( -0.392 0.000 -1.427) 1.479 1.384 ( -0.120 0.000 0.651) 0.662 1.410 ( 1.815 0.000 -2.753) 3.298 1.460 ( 0.120 0.000 -2.789) 2.792 1.484 ( 0.644 0.000 -1.340) 1.487 1.509 ( -3.036 0.000 2.101) 3.692 1.678 ( -0.395 0.000 -4.767) 4.783 1.741 ( 5.659 0.000 -3.179) 6.491 1.787 ( -1.773 0.000 0.625) 1.880 1.822 ( 0.258 0.000 -2.523) 2.536 1.915 ( 3.883 0.000 3.686) 5.354 1.958 ( 1.657 0.000 -1.386) 2.160 2.219 ( -0.358 0.000 -1.680) 1.718 2.364 ( 3.225 0.000 -2.420) 4.032 2.488 ( -4.787 0.000 -1.079) 4.907 2.548 ( 0.735 0.000 3.583) 3.658 2.665 ( 3.893 0.000 -0.445) 3.919 2.782 ( -0.423 0.000 -1.683) 1.735 2.814 ( -0.731 0.000 0.472) 0.870 2.824 ( 1.322 0.000 2.685) 2.993 2.979 ( -7.225 0.000 -0.190) 7.228 3.189 ( -6.463 0.000 1.758) 6.698 3.294 ( 8.891 0.000 -5.470) 10.439 3.448 ( -0.074 0.000 4.121) 4.122 3.576 ( -3.832 0.000 1.061) 3.976 3.627 ( -0.469 0.000 -4.390) 4.415 3.720 ( -2.524 0.000 3.152) 4.038 3.749 ( 7.121 0.000 -1.099) 7.205 3.949 ( -0.357 0.000 -4.122) 4.137 4.094 ( 6.472 0.000 -3.406) 7.314 4.187 ( -1.600 0.000 -1.215) 2.009 4.203 ( 3.572 0.000 6.355) 7.290 4.278 ( -1.507 0.000 3.128) 3.472 4.648 ( 3.090 0.000 7.431) 8.048 4.851 ( 1.591 0.000 0.935) 1.845 4.982 ( 2.289 0.000 2.410) 3.323 5.028 ( -1.104 0.000 -4.171) 4.314 5.126 ( -3.909 0.000 -3.794) 5.448 5.280 ( 1.261 0.000 -0.790) 1.488 5.322 ( 1.213 0.000 -0.515) 1.318 5.436 ( 0.064 0.000 -1.576) 1.577 5.508 ( -5.726 0.000 1.945) 6.048 5.578 ( -5.632 0.000 -1.272) 5.774 5.630 ( -0.789 0.000 4.563) 4.630 5.676 ( -4.092 0.000 -1.533) 4.370 5.929 ( -6.847 0.000 -3.049) 7.495 5.966 ( 0.031 0.000 1.752) 1.753 6.231 ( -2.622 0.000 0.142) 2.626 6.381 ( 3.191 0.000 1.285) 3.440 6.569 ( 1.151 0.000 9.453) 9.523 6.676 ( -3.589 0.000 11.572) 12.116 6.824 ( -1.105 0.000 -8.282) 8.355 6.947 ( 1.387 0.000 -6.789) 6.929 7.163 ( -1.879 0.000 -0.079) 1.881 7.211 ( 0.878 0.000 -4.056) 4.150 7.279 ( -1.330 0.000 5.325) 5.488 7.315 ( 1.677 0.000 -4.062) 4.395 10.347 ( -0.694 0.000 0.802) 1.060 10.403 ( -0.044 0.000 1.685) 1.686 10.502 ( -1.252 0.000 -0.938) 1.564 10.506 ( -1.340 0.000 -1.051) 1.703 10.796 ( 0.924 0.000 3.021) 3.159 10.849 ( 2.020 0.000 0.963) 2.238 10.974 ( 1.369 0.000 -4.754) 4.947 11.152 ( 2.761 0.000 -8.313) 8.760 11.328 ( 5.814 0.000 3.049) 6.565 11.383 ( 2.156 0.000 0.392) 2.191 11.468 ( 0.844 0.000 -1.397) 1.632 11.572 ( -1.164 0.000 2.121) 2.420 11.616 ( -2.894 0.000 1.286) 3.167 11.734 ( -3.377 0.000 -1.366) 3.643 11.799 ( -1.637 0.000 -2.227) 2.764 11.834 ( -1.244 0.000 5.898) 6.028======================= Grid point 3 (4/54) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( 5.521 0.000 6.579) 8.589 0.851 ( 7.849 0.000 1.185) 7.938 0.927 ( -0.456 0.000 2.070) 2.120 0.969 ( -1.887 0.000 -0.207) 1.898 0.982 ( -3.973 0.000 0.251) 3.981 1.031 ( -0.692 0.000 1.798) 1.927 1.067 ( 0.279 0.000 1.154) 1.187 1.092 ( -0.444 0.000 1.294) 1.368 1.150 ( 0.400 0.000 -1.439) 1.494 1.220 ( -3.610 0.000 3.047) 4.724 1.262 ( -0.611 0.000 -1.293) 1.430 1.303 ( 3.122 0.000 -1.902) 3.656 1.346 ( -2.674 0.000 1.746) 3.194 1.419 ( 1.160 0.000 -1.642) 2.011 1.438 ( 0.127 0.000 -1.208) 1.215 1.507 ( 1.968 0.000 1.546) 2.502 1.540 ( 2.022 0.000 5.257) 5.632 1.611 ( -1.834 0.000 -5.735) 6.022 1.706 ( -3.234 0.000 -3.942) 5.099 1.808 ( 0.127 0.000 -1.077) 1.084 1.853 ( 5.063 0.000 1.984) 5.438 1.943 ( -1.846 0.000 -2.750) 3.312 1.996 ( 1.679 0.000 1.939) 2.565 2.201 ( -0.241 0.000 -0.908) 0.939 2.359 ( -0.488 0.000 -1.475) 1.553 2.406 ( -2.271 0.000 -1.124) 2.534 2.602 ( 1.598 0.000 1.892) 2.477 2.762 ( 6.181 0.000 0.063) 6.182 2.783 ( 1.351 0.000 0.082) 1.354 2.810 ( -0.799 0.000 0.603) 1.001 2.849 ( -2.121 0.000 1.550) 2.627 2.871 ( -3.433 0.000 -0.933) 3.557 3.096 ( -3.589 0.000 0.231) 3.597 3.381 ( 3.442 0.000 -1.773) 3.872 3.464 ( -0.393 0.000 1.648) 1.694 3.527 ( -1.704 0.000 0.551) 1.791 3.562 ( -1.303 0.000 -2.660) 2.962 3.707 ( -0.965 0.000 0.642) 1.158 3.866 ( 3.392 0.000 1.418) 3.676 3.922 ( 0.128 0.000 -2.082) 2.086 4.131 ( 0.264 0.000 -2.402) 2.417 4.180 ( 1.387 0.000 0.575) 1.502 4.278 ( 0.468 0.000 1.784) 1.844 4.283 ( 0.301 0.000 1.318) 1.352 4.784 ( 4.246 0.000 7.711) 8.803 4.852 ( -0.634 0.000 0.272) 0.690 4.951 ( -3.262 0.000 -7.281) 7.978 5.038 ( -1.734 0.000 -0.714) 1.875 5.065 ( 2.432 0.000 1.816) 3.036 5.291 ( 0.199 0.000 0.118) 0.231 5.320 ( -0.173 0.000 -0.900) 0.917 5.418 ( -2.897 0.000 -0.259) 2.909 5.431 ( 0.246 0.000 -0.490) 0.548 5.525 ( -1.176 0.000 0.369) 1.233 5.634 ( 0.151 0.000 -0.328) 0.361 5.649 ( -0.916 0.000 2.710) 2.860 5.817 ( -2.793 0.000 -1.817) 3.332 5.992 ( 0.776 0.000 0.935) 1.215 6.194 ( -1.218 0.000 -0.183) 1.232 6.435 ( 1.557 0.000 0.529) 1.644 6.660 ( 0.776 0.000 7.859) 7.897 6.662 ( -3.418 0.000 3.948) 5.222 6.742 ( -0.701 0.000 -7.412) 7.445 6.947 ( 1.550 0.000 -1.944) 2.487 7.129 ( -0.884 0.000 -0.813) 1.201 7.195 ( 0.051 0.000 -1.439) 1.440 7.293 ( -1.484 0.000 4.329) 4.576 7.307 ( 1.533 0.000 -4.388) 4.648 10.343 ( -0.274 0.000 0.432) 0.511 10.419 ( 0.366 0.000 1.111) 1.170 10.471 ( -0.965 0.000 -0.892) 1.315 10.481 ( -0.543 0.000 -0.524) 0.755 10.832 ( 0.447 0.000 1.818) 1.872 10.885 ( 0.913 0.000 0.591) 1.088 10.963 ( 0.714 0.000 -2.350) 2.456 11.135 ( 0.657 0.000 -2.773) 2.849 11.411 ( 0.720 0.000 -0.207) 0.749 11.444 ( 4.151 0.000 1.556) 4.434 11.474 ( 0.260 0.000 0.172) 0.312 11.556 ( -1.945 0.000 0.462) 1.999 11.588 ( -0.861 0.000 0.201) 0.884 11.677 ( -1.819 0.000 0.124) 1.823 11.757 ( -0.723 0.000 -1.671) 1.821 11.852 ( -0.303 0.000 1.738) 1.764======================= Grid point 7 (5/54) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.313 ( 0.000 14.214 0.000) 14.214 0.423 ( 0.000 17.745 0.000) 17.745 0.445 ( 0.000 19.082 0.000) 19.082 0.912 ( 0.000 2.682 0.000) 2.682 0.962 ( 0.000 -2.793 0.000) 2.793 1.077 ( 0.000 -3.666 0.000) 3.666 1.094 ( 0.000 1.039 0.000) 1.039 1.097 ( 0.000 -0.305 0.000) 0.305 1.143 ( 0.000 -1.977 0.000) 1.977 1.212 ( 0.000 -3.985 0.000) 3.985 1.245 ( 0.000 -4.432 0.000) 4.432 1.342 ( 0.000 2.825 0.000) 2.825 1.376 ( 0.000 -1.125 0.000) 1.125 1.452 ( 0.000 0.317 0.000) 0.317 1.501 ( 0.000 5.278 0.000) 5.278 1.568 ( 0.000 1.276 0.000) 1.276 1.643 ( 0.000 -0.194 0.000) 0.194 1.651 ( 0.000 1.447 0.000) 1.447 1.719 ( 0.000 -1.952 0.000) 1.952 1.774 ( 0.000 4.045 0.000) 4.045 1.806 ( 0.000 -2.317 0.000) 2.317 1.810 ( 0.000 4.868 0.000) 4.868 1.857 ( 0.000 1.189 0.000) 1.189 2.207 ( 0.000 -2.924 0.000) 2.924 2.280 ( 0.000 -1.201 0.000) 1.201 2.358 ( 0.000 -2.863 0.000) 2.863 2.595 ( 0.000 -1.874 0.000) 1.874 2.607 ( 0.000 0.542 0.000) 0.542 2.829 ( 0.000 1.807 0.000) 1.807 2.888 ( 0.000 4.368 0.000) 4.368 2.934 ( 0.000 -1.281 0.000) 1.281 3.072 ( 0.000 1.666 0.000) 1.666 3.262 ( 0.000 -3.524 0.000) 3.524 3.284 ( 0.000 -4.458 0.000) 4.458 3.460 ( 0.000 2.369 0.000) 2.369 3.494 ( 0.000 4.030 0.000) 4.030 3.564 ( 0.000 0.599 0.000) 0.599 3.666 ( 0.000 1.297 0.000) 1.297 3.748 ( 0.000 -7.142 0.000) 7.142 3.778 ( 0.000 -4.758 0.000) 4.758 3.966 ( 0.000 -5.341 0.000) 5.341 4.122 ( 0.000 7.947 0.000) 7.947 4.141 ( 0.000 -5.774 0.000) 5.774 4.328 ( 0.000 1.741 0.000) 1.741 4.647 ( 0.000 8.791 0.000) 8.791 4.776 ( 0.000 4.104 0.000) 4.104 5.023 ( 0.000 1.159 0.000) 1.159 5.141 ( 0.000 -0.126 0.000) 0.126 5.145 ( 0.000 -1.887 0.000) 1.887 5.232 ( 0.000 0.323 0.000) 0.323 5.431 ( 0.000 -2.260 0.000) 2.260 5.539 ( 0.000 -4.689 0.000) 4.689 5.542 ( 0.000 1.475 0.000) 1.475 5.624 ( 0.000 5.417 0.000) 5.417 5.777 ( 0.000 -3.010 0.000) 3.010 5.855 ( 0.000 -1.134 0.000) 1.134 6.003 ( 0.000 0.514 0.000) 0.514 6.088 ( 0.000 -1.458 0.000) 1.458 6.300 ( 0.000 -4.139 0.000) 4.139 6.318 ( 0.000 -1.018 0.000) 1.018 6.499 ( 0.000 3.283 0.000) 3.283 6.629 ( 0.000 -0.825 0.000) 0.825 6.882 ( 0.000 2.890 0.000) 2.890 6.961 ( 0.000 -0.308 0.000) 0.308 7.122 ( 0.000 -0.843 0.000) 0.843 7.138 ( 0.000 -2.575 0.000) 2.575 7.249 ( 0.000 0.206 0.000) 0.206 7.252 ( 0.000 0.794 0.000) 0.794 10.347 ( 0.000 0.573 0.000) 0.573 10.388 ( 0.000 2.113 0.000) 2.113 10.495 ( 0.000 -2.846 0.000) 2.846 10.548 ( 0.000 -1.298 0.000) 1.298 10.773 ( 0.000 1.689 0.000) 1.689 10.817 ( 0.000 2.363 0.000) 2.363 10.943 ( 0.000 -1.118 0.000) 1.118 11.000 ( 0.000 -3.167 0.000) 3.167 11.322 ( 0.000 0.858 0.000) 0.858 11.371 ( 0.000 1.166 0.000) 1.166 11.567 ( 0.000 -0.624 0.000) 0.624 11.628 ( 0.000 -1.164 0.000) 1.164 11.636 ( 0.000 1.726 0.000) 1.726 11.726 ( 0.000 1.430 0.000) 1.430 11.831 ( 0.000 -1.476 0.000) 1.476 11.855 ( 0.000 -0.426 0.000) 0.426======================= Grid point 8 (6/54) =======================q-point: ( 0.14 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.286 ( 5.453 8.476 -2.670) 10.427 0.479 ( 9.924 10.784 0.421) 14.661 0.739 ( 12.995 13.046 11.689) 21.810 0.899 ( -0.379 -0.178 0.861) 0.957 0.997 ( 0.144 -2.008 2.516) 3.222 1.037 ( -1.377 -2.267 -3.032) 4.028 1.109 ( 2.283 -1.278 0.473) 2.659 1.112 ( 0.142 -0.129 0.006) 0.192 1.117 ( -1.774 0.510 -0.498) 1.912 1.218 ( -0.264 -4.368 1.074) 4.506 1.241 ( -0.271 -2.181 0.194) 2.206 1.340 ( -0.307 2.340 0.322) 2.382 1.380 ( 0.489 -0.753 -1.418) 1.679 1.443 ( -1.106 1.989 -0.021) 2.276 1.475 ( -0.192 2.128 -2.256) 3.108 1.535 ( -3.463 1.039 0.402) 3.638 1.562 ( -2.752 1.333 0.245) 3.068 1.693 ( -0.700 -0.266 -4.061) 4.129 1.734 ( 3.009 -1.879 -1.161) 3.733 1.761 ( -1.005 0.459 -2.886) 3.090 1.817 ( 3.270 2.333 3.564) 5.369 1.884 ( 3.356 1.475 2.273) 4.313 1.907 ( 2.861 1.505 1.705) 3.655 2.214 ( 1.482 -1.856 -2.030) 3.124 2.304 ( 2.213 -0.104 1.798) 2.854 2.419 ( 4.148 -3.618 1.818) 5.797 2.578 ( -3.290 0.130 0.470) 3.326 2.624 ( 1.759 -3.415 0.242) 3.849 2.809 ( -3.753 5.433 -3.571) 7.507 2.849 ( 1.314 1.821 -0.186) 2.254 2.880 ( -4.057 1.384 0.806) 4.362 3.143 ( -1.016 1.552 4.861) 5.202 3.188 ( 2.796 -0.173 -9.211) 9.628 3.273 ( -2.867 -2.157 2.259) 4.240 3.412 ( 0.213 2.430 0.317) 2.460 3.553 ( 1.233 0.439 2.605) 2.915 3.626 ( -0.221 -0.135 3.986) 3.994 3.679 ( 0.523 -3.523 3.590) 5.057 3.730 ( 1.020 -2.989 -3.606) 4.794 3.869 ( 5.051 -6.252 1.513) 8.179 3.976 ( 3.748 -1.687 -3.774) 5.580 4.143 ( 2.095 1.311 2.107) 3.248 4.195 ( 2.432 0.318 3.768) 4.496 4.307 ( -2.295 2.003 -0.247) 3.056 4.666 ( 1.059 8.170 2.152) 8.515 4.814 ( 3.818 4.010 0.732) 5.585 5.001 ( -1.738 1.159 -0.649) 2.187 5.101 ( -2.979 1.335 -1.882) 3.768 5.157 ( 2.328 -3.748 -4.887) 6.584 5.226 ( -1.043 -0.695 1.281) 1.792 5.424 ( 0.023 -1.927 -1.916) 2.717 5.430 ( -2.139 2.919 -5.183) 6.322 5.581 ( -1.589 1.602 2.458) 3.336 5.595 ( -1.768 1.807 3.848) 4.604 5.744 ( -8.487 -0.368 1.507) 8.627 5.778 ( -5.937 -1.533 -2.598) 6.659 5.987 ( -2.626 0.277 0.948) 2.806 6.098 ( 1.490 -6.664 4.606) 8.236 6.122 ( -7.925 2.719 -1.848) 8.580 6.385 ( -0.902 0.371 1.384) 1.693 6.501 ( -0.911 1.550 2.720) 3.261 6.567 ( 0.215 -0.940 8.733) 8.787 6.924 ( 0.001 0.341 -7.077) 7.086 6.951 ( -1.484 -2.818 -2.923) 4.322 7.127 ( 3.577 -3.990 -2.825) 6.057 7.167 ( -0.704 -2.123 0.630) 2.324 7.291 ( 2.283 1.803 2.017) 3.540 7.315 ( 4.048 0.403 0.478) 4.096 10.357 ( -0.280 0.131 0.868) 0.921 10.393 ( -0.001 1.022 0.862) 1.337 10.492 ( -0.299 -2.449 -0.110) 2.469 10.531 ( -1.390 -1.092 -0.640) 1.880 10.784 ( 0.646 2.002 1.569) 2.624 10.838 ( 1.880 2.553 0.685) 3.244 10.985 ( 2.369 -1.201 -2.104) 3.389 11.031 ( 4.787 -4.988 -0.857) 6.966 11.312 ( -0.247 2.866 -5.913) 6.575 11.348 ( 0.193 1.208 2.276) 2.584 11.512 ( 1.675 1.473 -8.984) 9.256 11.585 ( -0.793 1.132 0.566) 1.493 11.637 ( -3.182 -1.830 2.180) 4.269 11.768 ( -1.161 -1.608 1.765) 2.655 11.819 ( -2.566 0.633 5.521) 6.121 11.853 ( -0.683 0.600 1.224) 1.525======================= Grid point 9 (7/54) =======================q-point: ( 0.29 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.459 ( 8.985 -5.119 7.057) 12.520 0.688 ( 10.728 4.503 1.396) 11.718 0.913 ( 0.163 -2.808 1.980) 3.440 0.965 ( -1.247 -0.528 2.605) 2.936 0.974 ( 0.180 -2.488 -0.214) 2.504 1.047 ( 0.223 0.771 4.660) 4.729 1.083 ( -0.836 3.012 -0.277) 3.138 1.120 ( 1.191 1.972 -0.245) 2.316 1.163 ( 1.837 -0.013 2.724) 3.286 1.200 ( -0.634 -2.210 1.991) 3.041 1.248 ( -0.296 0.544 1.766) 1.871 1.319 ( -0.671 1.107 -3.323) 3.567 1.367 ( 0.569 -1.385 -3.959) 4.233 1.432 ( -0.087 1.126 0.394) 1.196 1.450 ( -1.973 -1.355 -1.775) 2.980 1.507 ( -1.342 2.067 -0.056) 2.465 1.527 ( -0.066 1.233 3.442) 3.657 1.636 ( -0.838 -1.854 -4.543) 4.978 1.707 ( -1.774 -3.772 -1.440) 4.410 1.766 ( 1.232 -0.294 -4.015) 4.210 1.890 ( 1.904 3.342 3.040) 4.902 1.970 ( 3.237 4.140 0.997) 5.349 1.979 ( 4.024 2.907 1.668) 5.237 2.219 ( 1.015 0.024 -2.503) 2.701 2.361 ( 2.531 -0.166 -1.540) 2.967 2.450 ( -3.686 -2.423 -1.317) 4.604 2.544 ( 0.569 -1.546 4.351) 4.652 2.666 ( 2.724 -6.006 -0.720) 6.635 2.740 ( 0.085 5.247 -2.839) 5.966 2.824 ( -2.465 1.951 0.726) 3.226 2.878 ( 1.096 2.556 1.171) 3.017 3.040 ( -6.086 3.152 -1.159) 6.952 3.208 ( -5.642 1.576 2.474) 6.359 3.288 ( 7.759 -0.400 -3.359) 8.465 3.437 ( 1.144 -1.083 1.031) 1.882 3.556 ( -4.275 -2.749 5.460) 7.460 3.633 ( 0.491 1.714 -3.997) 4.376 3.707 ( -1.443 -0.719 -0.196) 1.624 3.759 ( 5.557 -0.355 1.824) 5.860 3.948 ( 3.037 -3.408 0.290) 4.574 4.043 ( 4.984 0.498 -1.503) 5.230 4.214 ( 2.789 0.711 0.404) 2.907 4.252 ( -0.903 2.883 0.344) 3.041 4.271 ( 0.409 0.856 4.607) 4.704 4.720 ( 1.883 5.787 4.245) 7.420 4.885 ( 1.222 3.004 -0.071) 3.244 4.985 ( 1.205 0.481 0.596) 1.428 5.033 ( -1.458 0.232 -2.207) 2.655 5.113 ( -2.306 -1.204 -4.489) 5.188 5.224 ( -0.020 -3.518 -0.218) 3.525 5.387 ( 0.514 2.160 -3.051) 3.773 5.410 ( -0.253 -2.180 -1.089) 2.450 5.517 ( -6.379 1.679 2.903) 7.206 5.584 ( -5.565 0.688 -0.554) 5.635 5.636 ( -0.978 0.323 3.434) 3.585 5.656 ( -3.816 -0.974 -1.098) 4.089 5.901 ( -5.522 -1.154 -1.085) 5.745 6.045 ( -0.724 6.005 1.837) 6.321 6.179 ( 1.186 -5.567 3.975) 6.942 6.363 ( -0.615 1.015 0.487) 1.283 6.567 ( 1.783 -1.882 5.902) 6.446 6.617 ( -2.183 -4.345 6.187) 7.869 6.855 ( -3.102 1.615 -3.706) 5.096 6.901 ( 2.319 -1.910 -6.190) 6.881 7.140 ( 1.042 -3.551 -4.325) 5.692 7.145 ( -1.206 -2.184 0.111) 2.497 7.336 ( 0.753 3.007 1.583) 3.480 7.353 ( 1.206 2.203 -1.498) 2.924 10.354 ( -0.574 0.556 0.819) 1.144 10.398 ( -0.082 -0.260 0.944) 0.983 10.483 ( -0.538 -1.440 -0.091) 1.540 10.492 ( -1.867 -1.079 -1.175) 2.455 10.819 ( 1.072 2.093 2.522) 3.448 10.885 ( 2.185 2.821 0.535) 3.608 10.998 ( 1.427 1.346 -1.538) 2.492 11.101 ( 4.268 -4.776 -4.647) 7.913 11.286 ( 0.706 -0.066 0.051) 0.711 11.390 ( 1.860 -0.070 1.530) 2.409 11.486 ( 1.112 -0.192 -4.831) 4.961 11.573 ( -1.514 -0.993 1.020) 2.078 11.596 ( -2.116 -0.516 0.710) 2.291 11.731 ( -1.098 -1.697 -2.372) 3.116 11.801 ( -3.268 2.366 2.872) 4.952 11.868 ( -0.172 1.545 3.064) 3.436======================= Grid point 10 (8/54) =======================q-point: ( 0.43 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.675 ( 7.192 -8.950 6.837) 13.363 0.806 ( -0.612 -5.289 -2.136) 5.736 0.909 ( -1.929 -1.273 -0.366) 2.340 0.951 ( 4.771 -0.278 -0.091) 4.780 1.016 ( 0.709 -1.124 2.582) 2.904 1.033 ( -1.329 1.763 1.892) 2.908 1.089 ( -0.489 0.371 2.189) 2.273 1.101 ( -1.446 1.748 -1.670) 2.817 1.138 ( -2.866 -1.489 0.833) 3.336 1.217 ( -1.875 2.426 -2.002) 3.662 1.267 ( -0.565 -0.229 1.569) 1.683 1.326 ( 3.185 0.043 -0.589) 3.239 1.345 ( -0.255 -1.303 -0.866) 1.585 1.380 ( -1.875 -1.794 -2.841) 3.848 1.467 ( -0.272 3.270 0.541) 3.326 1.503 ( 4.044 -0.121 1.774) 4.418 1.553 ( -1.377 -1.477 2.338) 3.089 1.607 ( 0.071 0.699 -2.499) 2.595 1.661 ( -2.404 -4.648 -1.024) 5.332 1.747 ( 0.818 -0.640 -1.514) 1.836 1.939 ( 1.246 4.521 1.221) 4.846 2.005 ( 0.119 3.931 -1.850) 4.347 2.039 ( 1.383 4.418 1.328) 4.816 2.222 ( 0.871 1.750 -0.133) 1.959 2.354 ( -2.754 -2.115 0.958) 3.602 2.371 ( -0.060 -0.099 -3.668) 3.670 2.603 ( 1.461 -1.626 2.021) 2.977 2.685 ( 0.501 -7.531 -0.876) 7.598 2.762 ( 2.218 -0.375 -0.446) 2.293 2.803 ( -0.664 1.942 0.756) 2.187 2.902 ( 0.675 4.027 -0.174) 4.087 2.945 ( -2.779 4.258 -0.440) 5.104 3.140 ( -2.838 3.335 1.269) 4.559 3.372 ( 2.657 -0.479 -0.688) 2.786 3.468 ( 2.460 -0.418 -0.714) 2.596 3.525 ( -2.965 -2.342 3.769) 5.337 3.580 ( -1.530 4.074 -3.392) 5.517 3.686 ( -0.741 -0.530 0.091) 0.915 3.864 ( 3.116 -0.889 1.151) 3.439 3.986 ( 0.920 1.395 0.082) 1.673 4.104 ( 2.082 -1.503 -0.289) 2.584 4.194 ( -1.064 4.676 -0.819) 4.865 4.292 ( 1.477 0.699 1.016) 1.925 4.315 ( 0.670 1.722 1.707) 2.516 4.801 ( 1.722 1.597 6.347) 6.767 4.865 ( -0.617 1.021 -3.094) 3.316 4.955 ( -1.719 0.489 -3.229) 3.691 5.021 ( -1.687 -1.427 -1.070) 2.455 5.086 ( 1.788 1.329 1.059) 2.467 5.216 ( -0.181 -4.403 -0.555) 4.441 5.382 ( 0.963 2.650 -1.463) 3.176 5.400 ( -0.164 -2.099 -0.420) 2.147 5.435 ( -3.214 1.858 0.780) 3.794 5.520 ( -1.644 -0.250 0.404) 1.712 5.615 ( 1.068 -1.665 -0.644) 2.080 5.647 ( -2.174 -0.882 1.718) 2.908 5.825 ( -1.831 2.032 0.028) 2.735 6.067 ( 0.643 6.370 1.116) 6.499 6.200 ( -0.252 -1.059 0.475) 1.188 6.375 ( 0.575 -2.957 0.902) 3.144 6.606 ( -1.785 -4.128 1.679) 4.800 6.637 ( 0.831 -3.891 3.937) 5.597 6.776 ( -1.571 2.695 -3.179) 4.454 6.911 ( 1.361 -1.645 -1.437) 2.574 7.114 ( -0.467 -1.347 -1.165) 1.841 7.131 ( -0.034 -3.773 -1.090) 3.927 7.349 ( -1.009 3.204 2.710) 4.316 7.354 ( 1.246 2.885 -3.053) 4.381 10.352 ( -0.203 0.667 0.358) 0.784 10.412 ( 0.732 -0.683 1.176) 1.544 10.448 ( -1.603 -1.338 -1.349) 2.486 10.474 ( -0.292 -0.686 -0.044) 0.747 10.856 ( 0.554 2.152 1.858) 2.897 10.911 ( 0.768 2.247 -0.773) 2.497 11.017 ( 0.781 3.482 0.545) 3.610 11.109 ( 1.133 -2.360 -3.558) 4.417 11.319 ( 0.930 -5.074 1.826) 5.472 11.429 ( 1.230 -0.472 0.842) 1.563 11.461 ( -0.373 -1.459 -2.416) 2.846 11.552 ( -0.562 -3.128 -0.500) 3.217 11.575 ( -0.973 1.239 0.729) 1.736 11.711 ( 0.317 -1.955 -0.929) 2.188 11.766 ( -1.841 4.700 0.901) 5.128 11.884 ( -0.070 1.670 1.146) 2.026======================= Grid point 14 (9/54) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( 0.000 11.577 0.000) 11.577 0.752 ( 0.000 12.266 0.000) 12.266 0.753 ( 0.000 3.112 0.000) 3.112 0.912 ( 0.000 2.047 0.000) 2.047 0.971 ( 0.000 -5.216 0.000) 5.216 0.972 ( 0.000 2.835 0.000) 2.835 1.047 ( 0.000 -4.364 0.000) 4.364 1.070 ( 0.000 -3.878 0.000) 3.878 1.089 ( 0.000 -0.037 0.000) 0.037 1.139 ( 0.000 -4.768 0.000) 4.768 1.216 ( 0.000 2.918 0.000) 2.918 1.306 ( 0.000 -4.673 0.000) 4.673 1.451 ( 0.000 6.724 0.000) 6.724 1.496 ( 0.000 3.304 0.000) 3.304 1.563 ( 0.000 -1.652 0.000) 1.652 1.594 ( 0.000 2.951 0.000) 2.951 1.611 ( 0.000 -6.096 0.000) 6.096 1.639 ( 0.000 -1.777 0.000) 1.777 1.693 ( 0.000 2.304 0.000) 2.304 1.748 ( 0.000 -2.656 0.000) 2.656 1.881 ( 0.000 3.456 0.000) 3.456 1.899 ( 0.000 1.520 0.000) 1.520 1.945 ( 0.000 8.191 0.000) 8.191 2.114 ( 0.000 -5.998 0.000) 5.998 2.259 ( 0.000 -0.658 0.000) 0.658 2.277 ( 0.000 -3.095 0.000) 3.095 2.571 ( 0.000 0.045 0.000) 0.045 2.592 ( 0.000 -1.471 0.000) 1.471 2.882 ( 0.000 2.264 0.000) 2.264 2.914 ( 0.000 -0.805 0.000) 0.805 3.015 ( 0.000 6.741 0.000) 6.741 3.118 ( 0.000 2.615 0.000) 2.615 3.157 ( 0.000 -6.059 0.000) 6.059 3.187 ( 0.000 -3.720 0.000) 3.720 3.509 ( 0.000 2.209 0.000) 2.209 3.572 ( 0.000 1.036 0.000) 1.036 3.588 ( 0.000 1.059 0.000) 1.059 3.592 ( 0.000 -3.936 0.000) 3.936 3.702 ( 0.000 -1.138 0.000) 1.138 3.709 ( 0.000 0.155 0.000) 0.155 3.884 ( 0.000 0.085 0.000) 0.085 3.987 ( 0.000 -7.386 0.000) 7.386 4.269 ( 0.000 5.020 0.000) 5.020 4.337 ( 0.000 -1.260 0.000) 1.260 4.858 ( 0.000 9.584 0.000) 9.584 4.897 ( 0.000 6.424 0.000) 6.424 5.013 ( 0.000 -3.024 0.000) 3.024 5.033 ( 0.000 -6.406 0.000) 6.406 5.202 ( 0.000 3.616 0.000) 3.616 5.246 ( 0.000 0.408 0.000) 0.408 5.372 ( 0.000 -2.119 0.000) 2.119 5.414 ( 0.000 -5.520 0.000) 5.520 5.595 ( 0.000 3.348 0.000) 3.348 5.683 ( 0.000 -4.579 0.000) 4.579 5.754 ( 0.000 5.672 0.000) 5.672 5.836 ( 0.000 -1.651 0.000) 1.651 6.012 ( 0.000 0.391 0.000) 0.391 6.040 ( 0.000 -2.358 0.000) 2.358 6.252 ( 0.000 -0.007 0.000) 0.007 6.282 ( 0.000 -2.077 0.000) 2.077 6.559 ( 0.000 2.351 0.000) 2.351 6.603 ( 0.000 -1.635 0.000) 1.635 6.949 ( 0.000 2.468 0.000) 2.468 6.965 ( 0.000 0.463 0.000) 0.463 7.086 ( 0.000 -1.608 0.000) 1.608 7.091 ( 0.000 -1.629 0.000) 1.629 7.256 ( 0.000 0.368 0.000) 0.368 7.261 ( 0.000 0.026 0.000) 0.026 10.375 ( 0.000 1.952 0.000) 1.952 10.429 ( 0.000 -2.935 0.000) 2.935 10.444 ( 0.000 2.810 0.000) 2.810 10.504 ( 0.000 -2.554 0.000) 2.554 10.825 ( 0.000 3.043 0.000) 3.043 10.874 ( 0.000 2.652 0.000) 2.652 10.898 ( 0.000 -3.195 0.000) 3.195 10.930 ( 0.000 -2.663 0.000) 2.663 11.350 ( 0.000 1.635 0.000) 1.635 11.380 ( 0.000 -0.665 0.000) 0.665 11.562 ( 0.000 0.701 0.000) 0.701 11.594 ( 0.000 -1.804 0.000) 1.804 11.691 ( 0.000 2.905 0.000) 2.905 11.743 ( 0.000 -1.039 0.000) 1.039 11.808 ( 0.000 0.369 0.000) 0.369 11.835 ( 0.000 -1.335 0.000) 1.335======================= Grid point 15 (10/54) =======================q-point: ( 0.14 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( -1.445 12.616 -5.815) 13.966 0.681 ( 2.117 4.891 -2.092) 5.725 0.890 ( 3.269 -2.140 1.171) 4.078 0.905 ( -2.037 -1.799 -2.570) 3.740 0.960 ( -0.167 2.443 3.361) 4.158 1.008 ( 2.711 2.779 1.196) 4.062 1.035 ( 0.851 -4.518 0.452) 4.620 1.084 ( 2.118 -1.705 1.119) 2.940 1.142 ( 3.070 -0.690 0.035) 3.146 1.158 ( 2.723 -2.031 -2.789) 4.396 1.223 ( 0.807 3.717 1.277) 4.012 1.325 ( 1.800 -4.166 0.262) 4.546 1.427 ( -2.678 4.618 0.350) 5.350 1.479 ( -1.645 1.085 -1.891) 2.731 1.513 ( -3.293 0.900 -1.376) 3.681 1.542 ( -2.568 -0.663 0.376) 2.679 1.589 ( -3.155 0.890 -0.165) 3.283 1.631 ( -0.604 -3.972 -1.671) 4.351 1.722 ( 1.792 0.764 -4.222) 4.650 1.749 ( 1.259 -1.365 -4.886) 5.227 1.883 ( 0.316 2.663 4.860) 5.551 1.898 ( 1.509 0.845 4.752) 5.057 2.022 ( 4.959 6.432 0.571) 8.142 2.149 ( 3.452 -4.497 -1.094) 5.773 2.307 ( 3.179 0.527 2.770) 4.250 2.341 ( 4.184 -2.812 3.276) 6.012 2.562 ( -3.426 -0.881 0.501) 3.573 2.568 ( -0.894 -1.418 -0.895) 1.900 2.883 ( 0.515 1.233 -1.665) 2.135 2.892 ( -0.095 0.785 -3.739) 3.821 2.985 ( -1.755 7.869 -1.104) 8.138 3.137 ( -0.801 -5.106 -3.091) 6.022 3.175 ( 4.268 1.376 1.259) 4.658 3.210 ( 0.346 -2.067 3.941) 4.464 3.474 ( -4.640 2.797 0.449) 5.436 3.525 ( -6.201 -2.202 4.742) 8.111 3.590 ( 3.415 -1.228 3.161) 4.813 3.625 ( 2.570 -4.095 1.848) 5.176 3.711 ( 1.116 2.989 0.026) 3.191 3.776 ( 3.454 -2.778 0.558) 4.467 3.969 ( 7.784 1.684 -0.492) 7.979 4.054 ( 5.660 -5.390 1.795) 8.019 4.281 ( 0.064 3.870 2.482) 4.598 4.330 ( -1.113 -0.480 0.762) 1.431 4.863 ( 1.390 9.032 -2.123) 9.382 4.925 ( 2.982 5.512 -0.148) 6.268 5.005 ( 0.207 -1.634 -2.346) 2.867 5.040 ( 1.503 -6.401 -2.394) 6.998 5.156 ( -3.958 3.259 -1.175) 5.260 5.216 ( -2.980 -1.073 -0.597) 3.223 5.363 ( -0.838 -2.235 0.227) 2.398 5.388 ( -0.179 -3.593 -3.518) 5.032 5.614 ( -0.494 2.401 3.233) 4.057 5.669 ( -2.234 -0.766 -0.217) 2.371 5.720 ( -5.194 1.480 3.274) 6.315 5.759 ( -7.234 -0.894 -0.044) 7.289 5.982 ( -4.567 0.189 1.466) 4.800 6.011 ( -2.701 -2.207 4.054) 5.348 6.216 ( -1.794 5.408 -0.411) 5.712 6.334 ( 3.259 -4.679 2.428) 6.198 6.527 ( -5.117 1.245 -0.422) 5.283 6.551 ( -2.727 -0.789 4.092) 4.980 6.913 ( 1.264 0.307 -7.872) 7.979 6.936 ( -1.077 -0.927 -3.658) 3.924 7.076 ( 1.802 0.181 -2.726) 3.273 7.116 ( -0.277 -2.544 0.244) 2.570 7.318 ( 3.747 0.682 1.844) 4.231 7.323 ( 4.482 0.185 1.171) 4.636 10.374 ( -0.430 1.483 0.568) 1.645 10.410 ( -1.305 -0.910 -0.090) 1.593 10.455 ( 0.378 0.510 0.364) 0.732 10.493 ( -0.934 -2.095 -0.354) 2.321 10.843 ( 1.427 3.360 0.930) 3.767 10.900 ( 2.225 2.839 0.874) 3.711 10.927 ( 2.696 -4.079 0.276) 4.898 10.955 ( 2.317 -2.182 0.241) 3.192 11.351 ( 0.722 1.461 -2.082) 2.644 11.372 ( -0.639 0.020 0.244) 0.684 11.525 ( -1.174 1.011 -4.398) 4.662 11.567 ( -2.139 -2.323 -1.073) 3.335 11.656 ( -1.294 2.901 -1.789) 3.646 11.721 ( -1.312 -2.752 -2.112) 3.709 11.838 ( -0.116 1.061 4.960) 5.074 11.856 ( 0.016 -0.384 3.159) 3.182======================= Grid point 16 (11/54) =======================q-point: ( 0.29 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 1.769 9.038 -2.587) 9.566 0.711 ( 1.274 -5.280 -2.634) 6.037 0.859 ( 1.298 0.621 -2.071) 2.521 0.918 ( -0.463 -3.437 -1.861) 3.936 0.958 ( 1.180 1.977 0.044) 2.302 1.025 ( -0.560 -2.958 1.697) 3.455 1.109 ( 1.104 0.921 2.569) 2.944 1.137 ( 0.611 -0.928 2.391) 2.637 1.173 ( 0.863 0.721 -1.013) 1.513 1.201 ( 4.319 -0.881 -0.330) 4.420 1.265 ( 0.925 3.903 2.040) 4.501 1.338 ( -0.282 -1.515 -2.600) 3.023 1.363 ( -3.290 1.756 -2.172) 4.316 1.413 ( -2.599 -2.223 0.013) 3.420 1.477 ( -0.905 3.374 -1.023) 3.640 1.529 ( -0.217 -0.155 1.560) 1.582 1.539 ( -1.744 0.254 1.425) 2.266 1.577 ( -1.882 -3.820 -1.918) 4.670 1.679 ( -0.758 1.479 -4.084) 4.409 1.730 ( 0.343 -2.564 -3.987) 4.753 1.969 ( 2.862 3.269 5.598) 7.086 2.001 ( 3.676 0.491 4.154) 5.568 2.113 ( 3.946 5.737 0.882) 7.019 2.201 ( 3.485 -2.311 -1.791) 4.549 2.381 ( 2.626 2.483 0.404) 3.636 2.418 ( -0.335 -0.233 -1.297) 1.360 2.486 ( -2.213 -2.597 1.596) 3.767 2.529 ( -2.161 -5.831 -0.822) 6.273 2.854 ( -0.418 3.098 -4.412) 5.407 2.867 ( -0.163 1.304 -2.000) 2.393 2.960 ( -0.482 5.374 -0.033) 5.396 3.060 ( -4.791 -2.158 -1.345) 5.424 3.245 ( -0.663 1.857 3.684) 4.178 3.281 ( 6.629 -0.661 -1.368) 6.801 3.419 ( -1.425 0.462 1.762) 2.313 3.473 ( -3.954 -3.835 5.151) 7.542 3.684 ( 2.166 1.026 1.099) 2.637 3.710 ( 3.386 0.368 2.427) 4.182 3.731 ( 1.939 0.759 1.249) 2.428 3.828 ( 2.604 -5.590 -0.494) 6.187 4.110 ( 6.416 3.715 1.334) 7.533 4.182 ( 5.510 -2.699 2.872) 6.775 4.311 ( 0.266 1.669 3.154) 3.578 4.314 ( -1.059 1.704 0.867) 2.186 4.866 ( 0.437 6.960 -1.642) 7.164 4.960 ( -1.001 2.279 -3.231) 4.079 4.990 ( 1.699 -0.854 -3.109) 3.645 5.023 ( -2.320 -1.939 0.176) 3.029 5.085 ( -0.523 0.759 -2.103) 2.296 5.150 ( -2.308 -3.313 -1.442) 4.287 5.358 ( 0.518 -1.416 -0.212) 1.523 5.372 ( 1.595 -1.924 -2.446) 3.497 5.574 ( -5.644 2.219 1.996) 6.385 5.607 ( -6.553 -0.084 0.722) 6.593 5.624 ( -4.455 0.653 0.259) 4.510 5.655 ( -3.591 -0.681 1.617) 3.997 5.922 ( -2.828 3.690 3.339) 5.724 6.038 ( 0.490 -6.350 5.728) 8.566 6.216 ( 0.913 9.317 1.543) 9.488 6.409 ( 1.578 -3.188 2.847) 4.556 6.452 ( -1.984 -1.516 -1.028) 2.700 6.534 ( -2.068 -4.147 2.144) 5.106 6.873 ( -0.068 1.301 -4.220) 4.416 6.900 ( 0.466 -0.238 -3.132) 3.175 7.077 ( 1.051 -0.995 -3.194) 3.507 7.099 ( -0.838 -2.209 -1.285) 2.690 7.381 ( 1.833 1.092 0.436) 2.178 7.386 ( 1.774 0.691 -0.098) 1.907 10.370 ( -0.402 0.947 0.504) 1.145 10.390 ( -0.658 -0.679 -0.097) 0.950 10.458 ( -0.387 -0.414 0.523) 0.771 10.467 ( -1.441 -0.998 -0.433) 1.806 10.885 ( 1.737 3.844 1.572) 4.501 10.952 ( 2.132 2.884 0.541) 3.627 10.985 ( 3.144 -5.105 -0.068) 5.996 11.001 ( 1.991 -1.209 0.832) 2.473 11.332 ( -0.142 3.098 -2.730) 4.132 11.381 ( 0.970 -1.048 0.765) 1.620 11.470 ( -0.563 -0.002 -4.630) 4.664 11.512 ( -2.108 -3.239 -2.192) 4.443 11.627 ( -1.309 2.282 0.355) 2.655 11.681 ( -1.316 -2.535 -0.983) 3.020 11.858 ( -1.106 2.078 2.884) 3.723 11.883 ( -0.029 -0.225 2.799) 2.809======================= Grid point 17 (12/54) =======================q-point: ( 0.43 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.574 ( 3.592 0.691 1.887) 4.116 0.669 ( -2.143 -6.413 -3.789) 7.751 0.868 ( -0.898 -0.758 -1.231) 1.702 0.907 ( 1.968 -3.584 -0.496) 4.119 1.016 ( 3.805 1.670 1.274) 4.346 1.047 ( 1.251 -0.881 2.403) 2.849 1.106 ( -3.191 0.652 1.095) 3.436 1.123 ( -2.570 -0.465 -1.271) 2.905 1.170 ( 0.239 4.303 0.074) 4.310 1.258 ( 0.213 -1.788 -0.989) 2.055 1.267 ( 0.633 -0.583 0.599) 1.049 1.297 ( -1.192 4.202 -1.440) 4.600 1.303 ( -1.716 -2.130 -0.258) 2.748 1.403 ( 1.055 -2.147 -1.740) 2.958 1.457 ( -0.245 0.646 0.220) 0.725 1.520 ( -0.633 -1.458 1.291) 2.048 1.541 ( 0.041 1.300 0.812) 1.534 1.566 ( -0.224 -1.917 0.793) 2.087 1.647 ( -0.605 2.142 -2.270) 3.179 1.709 ( 0.539 -2.950 -1.346) 3.287 2.038 ( 0.579 3.466 2.393) 4.252 2.072 ( 1.085 0.779 2.202) 2.575 2.156 ( 0.763 6.219 -0.806) 6.317 2.248 ( 2.412 -0.745 -0.784) 2.644 2.342 ( -3.018 2.347 -0.121) 3.825 2.407 ( 0.753 3.916 -1.221) 4.171 2.476 ( -0.426 -9.122 -1.183) 9.208 2.524 ( 0.429 -5.718 1.064) 5.832 2.815 ( -0.473 3.827 -1.724) 4.223 2.855 ( 0.063 1.310 -0.621) 1.451 2.955 ( -0.595 0.865 0.323) 1.098 2.983 ( -1.546 -0.965 -1.146) 2.152 3.249 ( -0.908 6.377 1.831) 6.697 3.369 ( 3.228 -2.013 -0.731) 3.873 3.429 ( -0.011 -1.382 0.863) 1.629 3.462 ( -0.836 -2.236 2.210) 3.253 3.700 ( 0.410 5.827 -1.037) 5.932 3.726 ( -0.181 4.256 0.489) 4.288 3.810 ( 1.831 -3.939 1.830) 4.713 3.865 ( 1.329 -7.684 0.045) 7.798 4.204 ( 2.331 5.694 1.398) 6.310 4.284 ( 2.998 -1.119 1.051) 3.369 4.300 ( -0.367 3.168 0.292) 3.203 4.338 ( -0.232 0.003 1.524) 1.542 4.852 ( -1.857 2.667 2.475) 4.085 4.882 ( -1.125 0.175 -5.413) 5.532 4.971 ( -0.770 0.685 0.419) 1.112 4.988 ( -0.924 -1.200 -2.189) 2.662 5.096 ( 0.767 -0.226 0.598) 0.999 5.123 ( 0.156 -3.329 -1.067) 3.499 5.381 ( 1.766 0.804 -0.395) 1.980 5.406 ( 3.412 -0.452 -1.562) 3.780 5.490 ( -4.661 2.368 1.589) 5.464 5.519 ( -3.032 -0.113 0.662) 3.106 5.578 ( -0.382 -0.883 -0.531) 1.098 5.604 ( -2.907 -2.420 0.837) 3.874 5.928 ( -0.117 6.794 2.058) 7.100 6.091 ( 0.720 -7.498 2.412) 7.909 6.250 ( 1.009 10.014 1.071) 10.122 6.397 ( -1.138 3.898 -0.624) 4.108 6.472 ( 1.407 -9.043 1.319) 9.246 6.508 ( -1.779 -5.770 0.189) 6.041 6.847 ( -0.244 3.307 -1.033) 3.474 6.894 ( 0.448 -0.812 -0.997) 1.361 7.068 ( 0.288 -1.519 -1.431) 2.107 7.075 ( -0.396 -1.807 -0.980) 2.094 7.399 ( -0.117 1.165 0.669) 1.348 7.399 ( 0.645 1.086 -0.948) 1.579 10.368 ( -0.129 0.755 0.056) 0.768 10.388 ( 0.251 -1.205 0.216) 1.249 10.438 ( -1.069 0.370 -0.306) 1.171 10.455 ( -0.327 -0.979 0.227) 1.057 10.925 ( 0.968 4.095 1.359) 4.422 10.973 ( 0.410 3.100 -0.740) 3.214 11.026 ( 1.253 -4.082 -0.133) 4.272 11.038 ( 0.917 -2.669 0.909) 2.965 11.312 ( -0.111 4.437 -1.113) 4.576 11.412 ( 1.271 -2.081 1.440) 2.832 11.432 ( -0.289 -0.621 -2.018) 2.131 11.459 ( -1.416 -4.069 -2.286) 4.878 11.613 ( -0.568 2.076 0.383) 2.186 11.661 ( -0.407 -2.285 -0.118) 2.324 11.858 ( -0.507 3.107 0.959) 3.291 11.898 ( -0.076 -0.566 0.997) 1.149======================= Grid point 35 (13/54) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.191 ( -11.058 0.000 10.656) 15.357 0.436 ( 2.049 0.000 19.902) 20.008 0.597 ( -1.315 0.000 26.930) 26.962 0.889 ( 4.974 0.000 -2.517) 5.574 0.992 ( 0.976 0.000 -1.972) 2.201 1.013 ( 0.532 0.000 1.421) 1.518 1.096 ( -0.249 0.000 -0.509) 0.567 1.119 ( 2.000 0.000 -1.931) 2.780 1.133 ( -2.140 0.000 3.407) 4.023 1.257 ( 0.027 0.000 -0.730) 0.731 1.292 ( -0.130 0.000 -2.820) 2.823 1.326 ( 2.488 0.000 0.214) 2.497 1.368 ( 1.778 0.000 -1.820) 2.545 1.392 ( -0.276 0.000 0.435) 0.515 1.504 ( -3.514 0.000 3.896) 5.247 1.542 ( -0.188 0.000 -0.431) 0.470 1.609 ( 0.652 0.000 -3.483) 3.544 1.616 ( 2.268 0.000 -1.352) 2.640 1.685 ( -0.282 0.000 -3.047) 3.060 1.767 ( 2.106 0.000 1.780) 2.757 1.811 ( -2.226 0.000 1.193) 2.525 1.863 ( -4.232 0.000 0.664) 4.284 2.000 ( -0.917 0.000 -6.850) 6.911 2.153 ( 1.199 0.000 -8.664) 8.747 2.366 ( -4.269 0.000 4.680) 6.334 2.434 ( 3.060 0.000 5.510) 6.303 2.542 ( 3.995 0.000 -2.449) 4.686 2.676 ( -0.846 0.000 2.298) 2.449 2.695 ( -1.695 0.000 2.510) 3.029 2.849 ( -1.499 0.000 2.574) 2.979 2.871 ( 4.494 0.000 -2.197) 5.003 2.966 ( -2.652 0.000 0.434) 2.688 3.306 ( 3.728 0.000 -0.203) 3.734 3.334 ( 8.148 0.000 -1.266) 8.245 3.363 ( -7.263 0.000 -2.780) 7.777 3.424 ( -3.928 0.000 -0.988) 4.050 3.718 ( -3.876 0.000 -4.841) 6.202 3.746 ( -6.092 0.000 8.090) 10.127 3.831 ( 3.727 0.000 -4.246) 5.649 3.951 ( -1.393 0.000 -2.498) 2.860 3.973 ( -2.431 0.000 -4.159) 4.818 4.069 ( 4.171 0.000 6.547) 7.762 4.327 ( -1.527 0.000 2.009) 2.523 4.341 ( 2.534 0.000 3.126) 4.024 4.638 ( 0.400 0.000 8.099) 8.109 4.693 ( 1.527 0.000 -1.053) 1.855 4.971 ( 1.769 0.000 -2.343) 2.936 5.105 ( -0.330 0.000 -5.396) 5.406 5.171 ( -8.705 0.000 -2.984) 9.202 5.299 ( -0.688 0.000 2.473) 2.566 5.316 ( -4.811 0.000 2.505) 5.424 5.359 ( 2.726 0.000 -7.049) 7.558 5.563 ( 2.018 0.000 1.107) 2.302 5.678 ( 0.549 0.000 5.995) 6.020 5.829 ( -2.191 0.000 -4.636) 5.128 5.975 ( -5.284 0.000 -1.468) 5.484 6.011 ( -1.867 0.000 1.027) 2.131 6.206 ( -0.757 0.000 2.132) 2.262 6.213 ( 0.831 0.000 -4.881) 4.951 6.410 ( -2.436 0.000 -0.589) 2.507 6.582 ( -4.211 0.000 4.970) 6.514 6.612 ( 7.146 0.000 9.572) 11.945 6.744 ( 15.586 0.000 0.255) 15.588 7.017 ( -2.777 0.000 -5.017) 5.734 7.134 ( 0.755 0.000 -3.174) 3.263 7.195 ( -0.452 0.000 -2.973) 3.007 7.235 ( -2.585 0.000 0.400) 2.616 7.254 ( 5.560 0.000 0.042) 5.560 10.382 ( -0.461 0.000 1.999) 2.051 10.384 ( 2.600 0.000 1.568) 3.036 10.525 ( -0.021 0.000 -1.023) 1.024 10.534 ( -0.054 0.000 -1.544) 1.545 10.749 ( 2.087 0.000 0.196) 2.096 10.783 ( -0.698 0.000 -0.432) 0.821 10.958 ( -3.465 0.000 -0.913) 3.583 10.991 ( -4.623 0.000 -2.637) 5.323 11.179 ( 2.505 0.000 4.606) 5.243 11.338 ( 0.017 0.000 1.344) 1.344 11.416 ( 0.342 0.000 1.940) 1.970 11.584 ( 1.186 0.000 1.222) 1.703 11.697 ( -0.925 0.000 -1.034) 1.387 11.754 ( 0.499 0.000 -5.112) 5.136 11.906 ( -2.137 0.000 2.387) 3.203 12.057 ( -0.200 0.000 -2.064) 2.073======================= Grid point 36 (14/54) =======================q-point: ( 0.14 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.361 ( 14.441 0.000 3.947) 14.971 0.654 ( 4.582 0.000 15.993) 16.637 0.860 ( 6.108 0.000 18.636) 19.612 0.945 ( 5.351 0.000 -6.736) 8.603 1.025 ( 0.113 0.000 -0.958) 0.965 1.038 ( 1.277 0.000 3.238) 3.481 1.100 ( 1.995 0.000 1.538) 2.519 1.138 ( -0.940 0.000 0.438) 1.037 1.162 ( 0.589 0.000 3.385) 3.436 1.246 ( 0.212 0.000 -0.342) 0.402 1.255 ( -0.207 0.000 -3.824) 3.830 1.356 ( -3.644 0.000 -1.513) 3.946 1.371 ( 2.062 0.000 -2.328) 3.110 1.391 ( -0.170 0.000 -0.677) 0.698 1.452 ( -1.881 0.000 5.365) 5.686 1.525 ( -3.982 0.000 -0.399) 4.002 1.577 ( 0.986 0.000 3.137) 3.289 1.625 ( -1.362 0.000 -2.274) 2.650 1.640 ( 0.158 0.000 -3.893) 3.896 1.791 ( 1.201 0.000 -1.306) 1.774 1.794 ( -2.207 0.000 -1.940) 2.938 1.870 ( 5.370 0.000 3.243) 6.273 1.938 ( -1.126 0.000 -2.458) 2.704 2.112 ( 3.454 0.000 -10.910) 11.444 2.344 ( -1.255 0.000 3.016) 3.266 2.556 ( 3.621 0.000 5.681) 6.737 2.568 ( -2.211 0.000 -0.814) 2.357 2.681 ( -1.906 0.000 3.156) 3.687 2.702 ( 3.166 0.000 -2.172) 3.839 2.850 ( -0.619 0.000 3.212) 3.271 2.886 ( -2.598 0.000 0.029) 2.598 2.995 ( 7.118 0.000 -4.452) 8.395 3.187 ( -7.883 0.000 1.380) 8.003 3.320 ( -5.738 0.000 -0.020) 5.738 3.412 ( 6.170 0.000 -1.070) 6.262 3.514 ( 10.079 0.000 -1.995) 10.274 3.641 ( -0.807 0.000 -2.071) 2.223 3.686 ( -7.152 0.000 5.987) 9.327 3.838 ( -2.157 0.000 -2.905) 3.618 3.903 ( -0.510 0.000 -4.112) 4.143 3.940 ( 4.764 0.000 -0.943) 4.856 4.207 ( 4.370 0.000 4.729) 6.439 4.261 ( -5.113 0.000 4.141) 6.579 4.346 ( -2.842 0.000 1.372) 3.156 4.722 ( 0.842 0.000 9.579) 9.616 4.784 ( 6.473 0.000 1.766) 6.710 4.977 ( 0.841 0.000 -0.577) 1.020 5.027 ( -4.683 0.000 -2.945) 5.532 5.064 ( 1.751 0.000 -8.366) 8.548 5.304 ( -1.402 0.000 3.698) 3.955 5.306 ( -0.226 0.000 0.569) 0.613 5.365 ( 3.164 0.000 -4.742) 5.701 5.601 ( -0.307 0.000 2.183) 2.204 5.708 ( -3.865 0.000 -0.562) 3.906 5.729 ( -2.261 0.000 2.074) 3.068 5.761 ( -13.970 0.000 0.398) 13.975 5.995 ( -1.514 0.000 0.796) 1.711 6.048 ( -7.924 0.000 -2.234) 8.233 6.327 ( -5.267 0.000 1.932) 5.610 6.329 ( 4.228 0.000 2.062) 4.704 6.628 ( 1.666 0.000 5.560) 5.804 6.766 ( -1.514 0.000 -4.756) 4.991 6.810 ( 5.772 0.000 7.341) 9.339 6.896 ( -6.361 0.000 -2.997) 7.032 7.107 ( 1.610 0.000 -7.607) 7.775 7.207 ( -1.023 0.000 1.105) 1.506 7.213 ( 2.811 0.000 -4.345) 5.175 7.336 ( 2.339 0.000 0.569) 2.407 10.383 ( -1.214 0.000 2.107) 2.432 10.421 ( 0.391 0.000 1.260) 1.319 10.507 ( -0.790 0.000 -1.374) 1.585 10.509 ( -0.891 0.000 -2.011) 2.199 10.788 ( 2.532 0.000 -1.961) 3.203 10.807 ( 2.881 0.000 2.454) 3.784 10.910 ( -1.473 0.000 -3.357) 3.666 11.005 ( 4.952 0.000 -0.775) 5.013 11.278 ( 4.193 0.000 3.866) 5.703 11.353 ( 1.229 0.000 -0.831) 1.483 11.448 ( 0.780 0.000 2.663) 2.775 11.611 ( -0.190 0.000 2.083) 2.091 11.660 ( -1.883 0.000 -1.336) 2.309 11.711 ( 0.252 0.000 -5.485) 5.491 11.861 ( -4.451 0.000 1.355) 4.652 11.978 ( -5.373 0.000 2.619) 5.978======================= Grid point 37 (15/54) =======================q-point: ( 0.29 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.642 ( 13.383 0.000 0.187) 13.384 0.845 ( 3.628 0.000 9.000) 9.704 0.962 ( 0.826 0.000 -3.235) 3.339 0.963 ( -0.887 0.000 -2.340) 2.502 1.049 ( -2.912 0.000 3.556) 4.596 1.062 ( 0.898 0.000 -0.308) 0.949 1.114 ( -2.475 0.000 2.756) 3.704 1.122 ( -1.035 0.000 -3.086) 3.255 1.164 ( -3.152 0.000 1.838) 3.649 1.221 ( -1.824 0.000 -5.579) 5.869 1.263 ( 2.113 0.000 -1.467) 2.572 1.275 ( 0.415 0.000 2.642) 2.675 1.377 ( 0.019 0.000 0.017) 0.026 1.402 ( 1.708 0.000 -1.138) 2.052 1.457 ( -3.732 0.000 4.608) 5.930 1.504 ( 0.779 0.000 3.904) 3.981 1.585 ( 0.884 0.000 2.988) 3.116 1.596 ( -1.045 0.000 -2.313) 2.538 1.701 ( 4.471 0.000 2.691) 5.218 1.758 ( 0.834 0.000 -3.213) 3.320 1.808 ( 0.784 0.000 0.420) 0.890 1.902 ( 0.154 0.000 -2.856) 2.860 1.967 ( 2.839 0.000 0.062) 2.839 2.106 ( 5.218 0.000 -8.875) 10.296 2.357 ( -0.184 0.000 2.256) 2.264 2.482 ( -5.323 0.000 0.175) 5.326 2.634 ( 0.463 0.000 4.052) 4.078 2.710 ( 1.762 0.000 4.532) 4.863 2.743 ( 2.987 0.000 -1.419) 3.307 2.850 ( -1.906 0.000 1.885) 2.681 2.879 ( 0.866 0.000 1.937) 2.122 2.958 ( -6.136 0.000 -2.229) 6.529 3.192 ( -7.341 0.000 -1.359) 7.466 3.199 ( 7.575 0.000 -3.802) 8.476 3.490 ( 2.738 0.000 -0.251) 2.750 3.569 ( -0.121 0.000 -0.395) 0.413 3.594 ( -6.639 0.000 2.890) 7.240 3.732 ( 8.488 0.000 -1.386) 8.601 3.778 ( -2.640 0.000 1.427) 3.001 3.889 ( 1.288 0.000 -1.212) 1.769 4.041 ( 5.476 0.000 -0.483) 5.497 4.230 ( -2.267 0.000 3.865) 4.481 4.281 ( 1.372 0.000 -0.453) 1.445 4.306 ( -1.717 0.000 0.743) 1.871 4.828 ( 1.845 0.000 8.087) 8.295 4.865 ( 0.495 0.000 0.319) 0.589 4.933 ( -2.781 0.000 -3.117) 4.177 5.015 ( 0.354 0.000 -6.475) 6.484 5.034 ( 3.963 0.000 2.502) 4.687 5.291 ( -0.436 0.000 -2.020) 2.067 5.311 ( -0.839 0.000 2.319) 2.466 5.387 ( 2.539 0.000 -2.668) 3.682 5.542 ( -9.663 0.000 0.773) 9.694 5.576 ( -3.628 0.000 1.419) 3.896 5.621 ( -1.538 0.000 -3.307) 3.647 5.723 ( -3.000 0.000 3.593) 4.681 5.903 ( -6.513 0.000 0.485) 6.531 5.990 ( 0.113 0.000 1.119) 1.125 6.245 ( -3.862 0.000 -0.343) 3.877 6.389 ( 2.077 0.000 -1.193) 2.395 6.681 ( -0.904 0.000 -3.766) 3.873 6.730 ( -5.611 0.000 -7.618) 9.461 6.730 ( 0.780 0.000 5.502) 5.557 6.945 ( 1.809 0.000 6.410) 6.660 7.089 ( 1.648 0.000 -3.164) 3.568 7.212 ( -0.012 0.000 2.159) 2.159 7.219 ( 2.052 0.000 -4.105) 4.589 7.364 ( -0.258 0.000 2.496) 2.509 10.372 ( -1.589 0.000 1.283) 2.042 10.432 ( -0.239 0.000 1.120) 1.145 10.476 ( -1.057 0.000 -1.375) 1.735 10.480 ( -0.465 0.000 -1.192) 1.279 10.824 ( 3.259 0.000 -2.984) 4.419 10.853 ( -1.084 0.000 0.382) 1.149 10.907 ( 3.854 0.000 0.554) 3.894 11.084 ( 3.614 0.000 1.028) 3.758 11.368 ( 1.927 0.000 -2.375) 3.058 11.387 ( 4.487 0.000 2.477) 5.126 11.476 ( -0.092 0.000 1.862) 1.864 11.591 ( -2.100 0.000 -1.456) 2.555 11.620 ( -1.569 0.000 0.065) 1.571 11.698 ( 0.938 0.000 -0.705) 1.173 11.778 ( -4.605 0.000 0.035) 4.605 11.919 ( -3.637 0.000 2.018) 4.159======================= Grid point 38 (16/54) =======================q-point: ( 0.43 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( 7.119 0.000 -2.791) 7.647 0.871 ( -4.487 0.000 -3.237) 5.532 0.909 ( -3.762 0.000 -7.191) 8.116 0.924 ( -0.386 0.000 -3.272) 3.295 0.962 ( -2.149 0.000 -2.399) 3.221 1.058 ( -3.254 0.000 1.439) 3.558 1.067 ( -3.799 0.000 -6.057) 7.150 1.076 ( 0.684 0.000 -0.572) 0.891 1.132 ( 2.910 0.000 1.770) 3.406 1.194 ( 2.536 0.000 -2.170) 3.338 1.215 ( -4.248 0.000 -0.607) 4.291 1.329 ( 0.962 0.000 3.574) 3.701 1.392 ( -1.180 0.000 -0.785) 1.417 1.424 ( 2.238 0.000 1.053) 2.474 1.452 ( -0.709 0.000 3.146) 3.225 1.509 ( -1.129 0.000 -1.259) 1.691 1.589 ( -4.791 0.000 1.682) 5.078 1.655 ( 3.166 0.000 8.485) 9.056 1.733 ( -0.590 0.000 3.662) 3.709 1.772 ( 3.042 0.000 -2.120) 3.708 1.873 ( 0.900 0.000 -3.255) 3.377 1.910 ( 3.946 0.000 4.722) 6.153 1.977 ( 0.399 0.000 -3.579) 3.601 2.143 ( 4.595 0.000 -4.522) 6.447 2.370 ( -0.467 0.000 2.520) 2.563 2.430 ( -1.296 0.000 2.726) 3.018 2.647 ( -2.033 0.000 1.995) 2.849 2.784 ( 1.969 0.000 -0.899) 2.164 2.791 ( 2.538 0.000 2.104) 3.297 2.830 ( -3.535 0.000 0.271) 3.545 2.855 ( -0.817 0.000 0.778) 1.128 2.887 ( -2.654 0.000 2.343) 3.540 3.064 ( -3.391 0.000 -2.188) 4.036 3.284 ( 5.805 0.000 -6.571) 8.768 3.497 ( -3.005 0.000 -1.034) 3.178 3.532 ( -0.950 0.000 3.815) 3.932 3.588 ( 1.079 0.000 3.488) 3.651 3.759 ( -2.137 0.000 3.634) 4.216 3.820 ( 3.663 0.000 -3.103) 4.801 3.916 ( 1.606 0.000 -0.785) 1.788 4.114 ( 2.673 0.000 0.919) 2.827 4.235 ( -1.002 0.000 3.225) 3.377 4.271 ( -0.647 0.000 -2.138) 2.234 4.284 ( -1.252 0.000 -1.114) 1.676 4.791 ( -4.580 0.000 -5.301) 7.006 4.853 ( -0.878 0.000 -0.295) 0.927 4.976 ( 2.956 0.000 4.603) 5.471 5.002 ( 1.786 0.000 1.497) 2.330 5.078 ( -0.639 0.000 -1.069) 1.245 5.282 ( 1.709 0.000 -1.887) 2.546 5.309 ( -0.860 0.000 1.275) 1.538 5.415 ( 2.012 0.000 -1.073) 2.280 5.435 ( -3.055 0.000 1.300) 3.320 5.524 ( -2.061 0.000 0.040) 2.062 5.587 ( 0.365 0.000 -4.222) 4.238 5.673 ( -3.655 0.000 -0.095) 3.656 5.849 ( -1.337 0.000 4.496) 4.691 5.998 ( -0.725 0.000 0.481) 0.871 6.200 ( -0.700 0.000 0.143) 0.714 6.399 ( 2.043 0.000 -4.437) 4.885 6.577 ( -3.231 0.000 -8.820) 9.394 6.589 ( -2.527 0.000 -7.798) 8.197 6.816 ( 1.367 0.000 7.833) 7.951 7.007 ( 0.829 0.000 4.061) 4.145 7.103 ( 0.822 0.000 0.364) 0.899 7.220 ( 1.298 0.000 -3.108) 3.368 7.241 ( -0.061 0.000 4.449) 4.450 7.378 ( -0.677 0.000 2.936) 3.013 10.352 ( -1.140 0.000 0.283) 1.175 10.419 ( -1.111 0.000 -1.143) 1.594 10.466 ( 0.444 0.000 0.534) 0.694 10.475 ( 0.361 0.000 0.085) 0.371 10.824 ( -1.008 0.000 -1.940) 2.186 10.846 ( 1.938 0.000 -3.355) 3.875 10.989 ( 2.089 0.000 4.266) 4.750 11.160 ( 2.566 0.000 3.814) 4.597 11.384 ( 2.155 0.000 -2.410) 3.232 11.466 ( 1.780 0.000 0.418) 1.829 11.474 ( -0.806 0.000 -0.054) 0.808 11.536 ( -1.621 0.000 -2.165) 2.704 11.604 ( -1.109 0.000 1.394) 1.782 11.675 ( -2.330 0.000 -0.407) 2.365 11.754 ( 1.345 0.000 1.281) 1.858 11.870 ( -2.861 0.000 0.056) 2.862======================= Grid point 39 (17/54) =======================q-point: (-0.43 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( -10.526 0.000 -6.636) 12.443 0.719 ( -7.485 0.000 -9.438) 12.046 0.897 ( 2.467 0.000 -1.713) 3.004 0.917 ( 2.752 0.000 -4.408) 5.197 0.942 ( -1.349 0.000 -8.870) 8.972 0.942 ( 3.300 0.000 -2.535) 4.161 1.060 ( 0.164 0.000 3.847) 3.850 1.091 ( 0.654 0.000 -0.108) 0.663 1.166 ( 0.800 0.000 0.237) 0.835 1.192 ( 0.300 0.000 1.829) 1.853 1.209 ( -0.616 0.000 -3.311) 3.368 1.360 ( -1.933 0.000 0.396) 1.973 1.382 ( 1.217 0.000 2.403) 2.694 1.439 ( 0.478 0.000 -2.028) 2.084 1.459 ( 0.270 0.000 1.164) 1.195 1.503 ( -4.685 0.000 3.923) 6.110 1.516 ( 0.334 0.000 3.711) 3.726 1.733 ( -0.054 0.000 1.894) 1.894 1.748 ( 0.007 0.000 -1.655) 1.655 1.830 ( 2.401 0.000 2.594) 3.535 1.846 ( -1.200 0.000 2.066) 2.389 1.924 ( -2.581 0.000 -4.147) 4.884 2.005 ( 0.186 0.000 3.421) 3.426 2.199 ( 3.851 0.000 -0.481) 3.881 2.390 ( 0.895 0.000 0.975) 1.324 2.461 ( 1.611 0.000 3.320) 3.691 2.588 ( -5.277 0.000 0.301) 5.286 2.758 ( -0.294 0.000 -2.223) 2.242 2.786 ( -4.006 0.000 1.719) 4.359 2.835 ( 0.277 0.000 2.288) 2.304 2.836 ( -3.623 0.000 1.299) 3.848 2.896 ( 3.873 0.000 1.442) 4.133 3.066 ( 4.194 0.000 -1.731) 4.538 3.301 ( 2.121 0.000 -6.160) 6.515 3.448 ( 1.110 0.000 -4.838) 4.963 3.539 ( -3.652 0.000 6.483) 7.441 3.655 ( 2.043 0.000 3.217) 3.811 3.762 ( -1.767 0.000 5.297) 5.585 3.834 ( -1.084 0.000 0.842) 1.372 3.933 ( 3.193 0.000 -2.426) 4.010 4.171 ( 2.306 0.000 1.794) 2.922 4.198 ( -3.490 0.000 -5.179) 6.245 4.222 ( -3.034 0.000 1.999) 3.633 4.252 ( -1.830 0.000 -1.269) 2.227 4.664 ( -5.115 0.000 -2.672) 5.771 4.842 ( 0.115 0.000 -0.885) 0.892 5.011 ( -3.716 0.000 -3.289) 4.962 5.020 ( 2.724 0.000 -1.314) 3.024 5.108 ( 2.900 0.000 6.873) 7.460 5.313 ( 0.136 0.000 2.354) 2.358 5.314 ( 2.305 0.000 -0.999) 2.512 5.426 ( 0.296 0.000 -1.195) 1.231 5.439 ( 1.437 0.000 0.287) 1.465 5.521 ( 2.139 0.000 1.366) 2.538 5.557 ( 1.210 0.000 -5.518) 5.649 5.629 ( 0.486 0.000 -0.805) 0.940 5.910 ( 2.057 0.000 6.681) 6.991 5.969 ( -2.061 0.000 -0.081) 2.062 6.216 ( 1.206 0.000 1.426) 1.867 6.392 ( 0.704 0.000 -3.713) 3.779 6.469 ( -2.140 0.000 -10.334) 10.553 6.474 ( 1.215 0.000 -10.918) 10.986 6.907 ( 1.094 0.000 8.254) 8.326 7.048 ( -0.786 0.000 5.479) 5.535 7.123 ( 1.540 0.000 -0.671) 1.680 7.205 ( -0.037 0.000 -3.835) 3.836 7.276 ( -0.560 0.000 4.728) 4.761 7.387 ( -0.997 0.000 2.648) 2.829 10.341 ( -0.273 0.000 0.311) 0.414 10.390 ( -0.728 0.000 -1.508) 1.675 10.487 ( 1.170 0.000 0.574) 1.304 10.491 ( 1.065 0.000 0.307) 1.109 10.786 ( -1.291 0.000 -1.954) 2.342 10.839 ( 0.289 0.000 -2.821) 2.836 11.046 ( -0.057 0.000 4.993) 4.993 11.239 ( 1.879 0.000 5.050) 5.389 11.400 ( 1.000 0.000 -1.466) 1.775 11.411 ( -5.866 0.000 -1.603) 6.081 11.461 ( 0.254 0.000 -0.443) 0.511 11.522 ( 1.240 0.000 -2.355) 2.661 11.594 ( -1.132 0.000 0.877) 1.432 11.678 ( 2.634 0.000 0.097) 2.636 11.801 ( 1.902 0.000 2.220) 2.923 11.814 ( -2.597 0.000 -1.347) 2.926======================= Grid point 40 (18/54) =======================q-point: (-0.29 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.425 ( -11.905 0.000 -1.963) 12.065 0.506 ( -9.536 0.000 -2.150) 9.775 0.846 ( -0.312 0.000 -6.057) 6.065 0.862 ( -10.225 0.000 3.777) 10.900 0.972 ( 1.454 0.000 -1.082) 1.813 0.976 ( 5.350 0.000 -4.553) 7.025 1.099 ( 1.063 0.000 -0.918) 1.405 1.119 ( -0.237 0.000 2.185) 2.198 1.156 ( 4.074 0.000 -1.531) 4.352 1.186 ( -2.200 0.000 2.033) 2.995 1.232 ( 5.304 0.000 0.268) 5.311 1.311 ( -3.205 0.000 0.226) 3.213 1.409 ( -2.131 0.000 2.508) 3.291 1.426 ( -0.055 0.000 -1.642) 1.643 1.463 ( 2.200 0.000 -2.067) 3.019 1.528 ( 1.946 0.000 2.814) 3.422 1.531 ( -3.500 0.000 3.622) 5.037 1.715 ( -0.738 0.000 -2.627) 2.728 1.720 ( -0.096 0.000 -1.894) 1.896 1.814 ( -3.876 0.000 -3.242) 5.053 1.867 ( -0.138 0.000 4.278) 4.280 1.896 ( 1.342 0.000 1.785) 2.233 1.953 ( -5.924 0.000 -0.669) 5.962 2.253 ( 0.757 0.000 2.199) 2.326 2.363 ( -3.992 0.000 -2.956) 4.967 2.518 ( -2.265 0.000 1.185) 2.556 2.539 ( 3.139 0.000 3.416) 4.639 2.726 ( -5.117 0.000 5.099) 7.224 2.759 ( 2.210 0.000 -2.725) 3.508 2.803 ( -0.227 0.000 1.100) 1.123 2.843 ( -0.588 0.000 0.145) 0.606 2.996 ( 4.206 0.000 0.490) 4.234 3.139 ( 5.510 0.000 -3.035) 6.290 3.273 ( 0.430 0.000 -3.790) 3.815 3.451 ( 3.825 0.000 -6.667) 7.686 3.537 ( -2.856 0.000 11.071) 11.434 3.647 ( -4.185 0.000 -1.539) 4.459 3.772 ( -2.529 0.000 6.310) 6.798 3.843 ( 0.227 0.000 5.563) 5.568 3.985 ( 1.103 0.000 -3.978) 4.128 4.093 ( -1.200 0.000 -0.929) 1.517 4.139 ( -6.203 0.000 0.880) 6.265 4.194 ( -1.918 0.000 -3.841) 4.293 4.230 ( 1.083 0.000 0.463) 1.178 4.579 ( -3.252 0.000 2.016) 3.827 4.818 ( -2.302 0.000 -2.331) 3.276 4.938 ( -0.401 0.000 -1.934) 1.975 5.066 ( 3.185 0.000 -0.112) 3.187 5.200 ( 2.045 0.000 3.868) 4.375 5.313 ( -1.067 0.000 -1.003) 1.465 5.373 ( 2.478 0.000 6.807) 7.244 5.423 ( 0.870 0.000 -3.387) 3.497 5.453 ( 2.293 0.000 -3.181) 3.922 5.551 ( 2.595 0.000 -2.246) 3.432 5.649 ( 7.393 0.000 5.903) 9.460 5.695 ( 6.397 0.000 0.066) 6.397 5.947 ( -0.375 0.000 1.567) 1.612 6.018 ( 3.888 0.000 5.027) 6.355 6.238 ( -0.284 0.000 -2.922) 2.936 6.355 ( -0.484 0.000 -6.982) 6.999 6.368 ( -0.971 0.000 0.833) 1.279 6.422 ( 2.828 0.000 -12.244) 12.567 6.983 ( -0.393 0.000 5.470) 5.484 7.072 ( -0.811 0.000 3.758) 3.844 7.141 ( 0.938 0.000 -1.014) 1.381 7.152 ( -0.891 0.000 -5.077) 5.154 7.293 ( -1.325 0.000 3.151) 3.418 7.379 ( -2.062 0.000 1.595) 2.607 10.348 ( 0.396 0.000 0.923) 1.004 10.368 ( -0.348 0.000 -1.329) 1.373 10.512 ( 1.122 0.000 0.033) 1.122 10.516 ( 1.497 0.000 -0.180) 1.508 10.749 ( -1.062 0.000 -1.490) 1.829 10.814 ( -0.747 0.000 -1.695) 1.852 11.078 ( -0.885 0.000 5.126) 5.202 11.270 ( -7.181 0.000 -2.522) 7.611 11.296 ( 0.902 0.000 0.970) 1.324 11.393 ( -0.544 0.000 -0.554) 0.776 11.462 ( -0.600 0.000 -3.662) 3.711 11.531 ( 1.644 0.000 -1.617) 2.306 11.606 ( 1.773 0.000 5.924) 6.184 11.736 ( 3.344 0.000 -1.025) 3.498 11.761 ( -2.136 0.000 -0.188) 2.144 11.855 ( 1.612 0.000 2.728) 3.168======================= Grid point 41 (19/54) =======================q-point: (-0.14 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.299 ( -5.610 0.000 14.741) 15.773 0.373 ( -10.465 0.000 11.650) 15.660 0.603 ( -20.433 0.000 13.028) 24.233 0.833 ( 2.481 0.000 -1.959) 3.161 0.998 ( 0.640 0.000 0.910) 1.113 1.007 ( 2.497 0.000 -5.607) 6.138 1.105 ( -0.611 0.000 0.090) 0.617 1.131 ( 0.661 0.000 -2.203) 2.301 1.162 ( -2.881 0.000 3.378) 4.440 1.245 ( 3.321 0.000 -1.472) 3.632 1.274 ( 0.533 0.000 1.074) 1.199 1.303 ( 1.930 0.000 -2.479) 3.141 1.378 ( -1.354 0.000 -0.398) 1.411 1.418 ( -2.445 0.000 1.336) 2.786 1.487 ( 1.366 0.000 -0.331) 1.406 1.496 ( 3.677 0.000 -0.705) 3.744 1.564 ( -0.738 0.000 1.864) 2.005 1.695 ( -1.725 0.000 -4.051) 4.403 1.696 ( 0.990 0.000 -2.693) 2.869 1.748 ( -0.545 0.000 -0.022) 0.546 1.833 ( -2.098 0.000 -2.011) 2.906 1.913 ( -1.862 0.000 1.999) 2.732 1.944 ( 2.849 0.000 6.755) 7.331 2.220 ( -1.971 0.000 -5.807) 6.132 2.326 ( 0.341 0.000 5.407) 5.418 2.460 ( -5.506 0.000 1.978) 5.851 2.592 ( -0.166 0.000 -0.951) 0.966 2.700 ( -1.975 0.000 3.440) 3.966 2.731 ( -2.613 0.000 -8.072) 8.484 2.833 ( 0.914 0.000 -0.289) 0.958 2.836 ( 0.630 0.000 3.061) 3.125 3.002 ( -1.277 0.000 -1.341) 1.852 3.217 ( 6.593 0.000 -3.623) 7.523 3.270 ( 0.779 0.000 -1.065) 1.320 3.456 ( 2.011 0.000 -6.542) 6.844 3.530 ( -6.352 0.000 -0.950) 6.422 3.701 ( 7.510 0.000 14.019) 15.904 3.778 ( -3.050 0.000 7.634) 8.221 3.857 ( -5.550 0.000 -7.025) 8.953 3.924 ( 2.836 0.000 6.316) 6.924 4.013 ( -6.625 0.000 -0.194) 6.628 4.087 ( -4.252 0.000 -0.954) 4.358 4.218 ( 7.484 0.000 0.420) 7.495 4.243 ( 2.060 0.000 1.735) 2.693 4.581 ( -0.928 0.000 6.183) 6.252 4.736 ( -3.637 0.000 -1.837) 4.074 4.950 ( 2.679 0.000 -2.651) 3.769 5.122 ( 2.169 0.000 -0.666) 2.269 5.240 ( -0.203 0.000 1.524) 1.538 5.294 ( -0.957 0.000 1.588) 1.854 5.389 ( 0.855 0.000 -7.057) 7.109 5.438 ( 1.556 0.000 -5.091) 5.324 5.538 ( 3.276 0.000 1.967) 3.821 5.609 ( 2.575 0.000 3.012) 3.963 5.820 ( 5.907 0.000 -0.897) 5.974 5.891 ( 12.379 0.000 8.036) 14.758 6.033 ( 9.526 0.000 17.803) 20.191 6.109 ( 3.511 0.000 0.800) 3.601 6.118 ( -4.311 0.000 -8.121) 9.194 6.340 ( -1.833 0.000 -8.180) 8.382 6.387 ( 3.929 0.000 2.921) 4.896 6.428 ( 4.380 0.000 6.032) 7.454 6.875 ( -11.255 0.000 -6.970) 13.239 7.075 ( 0.079 0.000 -2.712) 2.713 7.140 ( -0.592 0.000 0.735) 0.944 7.164 ( 3.300 0.000 1.738) 3.729 7.278 ( -2.352 0.000 1.131) 2.610 7.318 ( -5.475 0.000 -1.912) 5.799 10.353 ( -0.430 0.000 -0.057) 0.434 10.367 ( 0.357 0.000 1.585) 1.625 10.526 ( 0.615 0.000 -0.560) 0.832 10.535 ( 0.994 0.000 -0.892) 1.336 10.730 ( 0.302 0.000 -0.880) 0.930 10.791 ( -0.579 0.000 -0.338) 0.670 11.107 ( -2.999 0.000 4.324) 5.262 11.125 ( -3.373 0.000 -1.956) 3.899 11.222 ( -7.385 0.000 -16.246) 17.846 11.343 ( -2.413 0.000 0.129) 2.417 11.407 ( -1.495 0.000 2.302) 2.745 11.554 ( 1.652 0.000 -0.287) 1.677 11.710 ( 0.119 0.000 0.394) 0.412 11.768 ( 1.980 0.000 -3.242) 3.799 11.851 ( 11.605 0.000 13.051) 17.464 11.899 ( 0.321 0.000 2.927) 2.944======================= Grid point 42 (20/54) =======================q-point: ( 0.00 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.302 ( -8.911 10.341 3.960) 14.214 0.465 ( -1.059 8.134 11.950) 14.495 0.794 ( 2.605 9.707 16.761) 19.543 0.884 ( 2.956 -0.735 -1.424) 3.362 0.965 ( 0.462 -1.350 -5.641) 5.819 1.011 ( 0.577 -0.237 1.446) 1.574 1.078 ( -1.274 -2.850 -0.411) 3.149 1.095 ( 0.620 -1.115 -1.354) 1.860 1.173 ( -1.641 1.166 1.814) 2.709 1.211 ( 1.084 -4.404 1.144) 4.678 1.252 ( -0.468 -6.074 0.625) 6.124 1.334 ( 0.654 4.274 -0.100) 4.325 1.367 ( -0.013 0.623 -0.681) 0.923 1.409 ( 1.334 2.542 -2.184) 3.607 1.536 ( -4.163 1.404 0.906) 4.486 1.545 ( 1.359 1.566 0.096) 2.076 1.612 ( 0.616 0.327 -2.910) 2.992 1.632 ( 1.365 0.552 -1.910) 2.412 1.698 ( 1.093 -0.267 -5.007) 5.132 1.745 ( -2.953 -4.077 0.755) 5.090 1.804 ( 1.063 2.701 0.617) 2.967 1.881 ( -2.366 1.991 2.224) 3.809 1.891 ( 3.367 -1.309 0.405) 3.636 2.142 ( 1.025 -2.884 -6.693) 7.360 2.354 ( -1.972 -0.971 5.326) 5.761 2.405 ( 0.551 -2.710 4.903) 5.629 2.555 ( 1.899 0.526 -1.003) 2.211 2.658 ( -0.460 -1.613 1.631) 2.340 2.792 ( -1.135 3.800 -3.761) 5.466 2.854 ( 1.085 1.150 -0.314) 1.612 2.918 ( 1.056 2.108 -5.756) 6.220 2.964 ( -1.329 0.288 0.328) 1.399 3.265 ( 4.268 -2.146 0.162) 4.780 3.305 ( -1.931 -2.635 0.208) 3.273 3.440 ( 5.354 6.165 -1.929) 8.390 3.482 ( -5.751 3.777 0.993) 6.952 3.707 ( -2.584 -0.740 -1.230) 2.956 3.742 ( -1.902 -1.921 5.752) 6.356 3.790 ( 1.032 -1.201 3.599) 3.932 3.885 ( -1.823 -8.119 9.630) 12.727 3.904 ( -2.552 -2.271 -1.996) 3.957 4.134 ( 2.667 3.891 1.057) 4.834 4.212 ( -0.814 -5.263 4.248) 6.813 4.303 ( 2.732 -0.477 -0.835) 2.896 4.690 ( 0.752 4.000 2.632) 4.847 4.760 ( 0.809 4.959 -0.157) 5.027 4.982 ( 0.545 0.279 -3.440) 3.494 5.075 ( -1.011 -2.895 -5.788) 6.550 5.163 ( -4.521 1.328 0.558) 4.745 5.261 ( 0.612 -1.422 2.622) 3.045 5.348 ( 2.642 -0.865 -5.513) 6.175 5.431 ( -3.854 3.913 -4.063) 6.832 5.577 ( 3.267 1.513 0.905) 3.713 5.659 ( 1.110 -0.837 5.789) 5.954 5.811 ( -1.413 -1.508 -3.233) 3.837 5.911 ( -1.935 -3.868 1.153) 4.476 6.032 ( -0.111 1.337 2.359) 2.714 6.133 ( 1.376 -2.405 5.446) 6.110 6.215 ( -4.887 0.541 -3.844) 6.242 6.388 ( 4.898 -4.010 3.255) 7.118 6.619 ( 1.187 1.142 6.339) 6.550 6.643 ( -8.470 2.788 1.288) 9.009 6.718 ( 12.347 -0.865 -3.210) 12.786 6.991 ( -2.855 -2.129 -3.161) 4.762 7.080 ( -4.676 -2.158 -4.048) 6.551 7.203 ( 0.003 -1.538 2.605) 3.025 7.229 ( 0.730 1.086 -2.636) 2.943 7.259 ( 3.163 0.326 1.425) 3.485 10.371 ( 0.622 0.079 1.939) 2.038 10.404 ( 0.017 1.466 1.390) 2.021 10.488 ( 0.134 -2.537 -0.697) 2.635 10.529 ( 0.045 -0.953 -1.593) 1.857 10.776 ( 1.733 2.047 0.375) 2.708 10.810 ( 0.222 2.482 -0.295) 2.510 10.944 ( -0.265 -0.884 0.040) 0.924 11.014 ( -3.286 -2.075 -0.309) 3.898 11.250 ( 0.163 4.610 -3.424) 5.745 11.377 ( 0.539 3.637 -3.348) 4.973 11.407 ( -0.521 -0.557 2.024) 2.162 11.600 ( 1.012 1.199 1.696) 2.310 11.677 ( -1.836 -1.762 -1.646) 3.031 11.741 ( 0.625 -1.190 -3.994) 4.214 11.904 ( -1.305 -0.249 2.485) 2.818 11.945 ( 1.066 -5.385 5.133) 7.515======================= Grid point 43 (21/54) =======================q-point: ( 0.14 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.373 ( 8.208 0.379 7.231) 10.945 0.610 ( 4.679 3.152 12.052) 13.307 0.899 ( 1.106 -3.898 -5.833) 7.102 0.957 ( 2.787 -2.738 4.858) 6.234 1.021 ( 4.750 4.553 5.932) 8.859 1.049 ( 1.239 0.592 3.784) 4.025 1.073 ( 2.449 -1.462 -3.406) 4.443 1.106 ( 0.081 -1.324 1.590) 2.070 1.147 ( -1.192 -1.950 0.925) 2.465 1.214 ( -0.792 -3.776 -1.158) 4.028 1.249 ( 0.489 -1.548 0.163) 1.632 1.335 ( -2.016 -1.284 -0.637) 2.474 1.351 ( -0.019 1.507 -0.779) 1.697 1.411 ( -0.419 2.684 -2.447) 3.656 1.496 ( -0.970 1.975 3.251) 3.925 1.540 ( -2.345 1.120 0.082) 2.600 1.571 ( -0.065 0.434 0.192) 0.479 1.618 ( -2.552 0.107 -2.506) 3.578 1.678 ( 0.249 -1.732 -4.183) 4.534 1.703 ( 0.742 -2.890 -1.281) 3.247 1.880 ( 2.066 5.090 -0.835) 5.557 1.898 ( 5.557 2.701 2.791) 6.780 1.942 ( 1.135 1.433 -0.065) 1.829 2.113 ( 3.092 -0.820 -8.159) 8.764 2.354 ( -1.384 0.899 3.271) 3.664 2.472 ( 1.346 -3.554 2.879) 4.768 2.602 ( 1.647 -0.477 1.770) 2.464 2.634 ( -2.254 -3.362 0.325) 4.061 2.733 ( -1.522 2.481 -1.842) 3.444 2.857 ( -0.332 -0.349 0.181) 0.514 2.895 ( -0.789 1.314 -0.540) 1.625 2.997 ( 6.487 -0.196 -6.210) 8.983 3.227 ( -5.817 2.572 2.463) 6.821 3.339 ( -1.196 -1.071 2.195) 2.719 3.406 ( 1.182 2.774 -1.474) 3.356 3.556 ( 6.412 2.598 -0.823) 6.967 3.656 ( -2.251 1.964 -0.427) 3.018 3.713 ( -4.081 1.573 5.523) 7.046 3.811 ( -2.830 -2.416 -0.082) 3.722 3.912 ( 3.132 -2.672 3.373) 5.322 3.927 ( 2.817 1.085 0.627) 3.084 4.184 ( 1.085 -2.355 2.123) 3.351 4.253 ( 2.628 2.385 1.186) 3.742 4.328 ( -1.281 -1.680 2.175) 3.032 4.746 ( 1.845 1.774 4.794) 5.435 4.817 ( 4.885 2.985 0.470) 5.744 4.960 ( 1.140 -2.173 -3.660) 4.406 5.034 ( 1.105 -1.734 -6.003) 6.346 5.061 ( -4.739 2.860 -1.709) 5.793 5.280 ( -2.124 -1.936 3.071) 4.206 5.350 ( 0.438 -0.042 -2.775) 2.810 5.371 ( 1.032 2.005 -2.280) 3.207 5.621 ( -0.557 1.653 1.835) 2.532 5.701 ( -4.911 -0.741 -3.784) 6.244 5.709 ( -1.733 -0.314 5.044) 5.343 5.768 ( -11.525 0.476 0.277) 11.538 5.999 ( -4.641 0.612 0.940) 4.774 6.097 ( -4.098 3.886 -0.932) 5.724 6.224 ( 1.117 -4.650 5.795) 7.513 6.402 ( -3.022 2.680 -0.143) 4.042 6.596 ( 1.942 -3.776 5.768) 7.162 6.679 ( -2.237 -4.239 -0.656) 4.837 6.798 ( 2.721 -1.955 -2.795) 4.363 6.916 ( -3.535 0.864 2.103) 4.203 7.044 ( 3.032 -3.549 -4.634) 6.577 7.165 ( -1.454 -2.289 -2.198) 3.491 7.267 ( 2.729 2.710 -1.762) 4.230 7.344 ( 3.490 0.284 0.763) 3.584 10.386 ( -0.877 0.114 1.891) 2.088 10.413 ( -0.227 -0.165 1.049) 1.086 10.483 ( 0.013 -1.564 -0.710) 1.717 10.503 ( -1.175 -0.782 -1.876) 2.347 10.822 ( 2.022 2.244 0.018) 3.021 10.829 ( 2.540 2.341 0.722) 3.528 10.960 ( -0.462 2.510 -3.182) 4.079 10.988 ( 3.690 -1.442 0.467) 3.990 11.263 ( 1.764 -0.072 1.083) 2.071 11.377 ( 1.675 1.624 -2.489) 3.412 11.430 ( 0.574 -1.644 2.709) 3.220 11.607 ( -2.063 -2.602 -1.461) 3.628 11.631 ( -0.759 0.300 0.586) 1.005 11.713 ( -0.272 -0.227 -2.965) 2.986 11.880 ( -3.008 1.360 1.323) 3.557 11.951 ( -2.745 -1.741 3.133) 4.515======================= Grid point 44 (22/54) =======================q-point: ( 0.29 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.592 ( 8.954 -4.676 4.011) 10.868 0.798 ( 3.940 -1.392 8.735) 9.683 0.864 ( 1.310 -4.638 -4.158) 6.366 0.977 ( -4.145 -3.768 -1.279) 5.746 1.038 ( 0.914 0.906 -1.921) 2.312 1.057 ( -0.533 -2.006 1.935) 2.838 1.103 ( 1.115 0.589 -1.724) 2.136 1.129 ( -1.760 -2.428 1.769) 3.482 1.176 ( -1.117 2.163 -0.488) 2.483 1.198 ( -0.700 -0.956 -1.718) 2.087 1.272 ( 1.936 -1.577 -1.311) 2.820 1.288 ( -2.304 1.795 -1.775) 3.418 1.333 ( 1.763 -0.520 4.136) 4.526 1.422 ( 0.132 1.603 -0.681) 1.747 1.464 ( -0.458 -1.738 3.137) 3.616 1.512 ( -3.322 2.192 0.961) 4.094 1.574 ( -0.121 -0.867 -0.506) 1.011 1.604 ( 0.695 0.401 1.429) 1.639 1.657 ( 1.380 -4.496 -2.584) 5.366 1.726 ( 1.591 -0.607 0.948) 1.949 1.919 ( 1.541 7.010 0.140) 7.179 1.938 ( 1.520 3.146 -3.606) 5.021 1.996 ( 3.146 2.749 -0.840) 4.262 2.133 ( 5.554 1.748 -5.827) 8.237 2.360 ( -0.688 0.605 2.335) 2.508 2.447 ( -4.897 -2.485 1.139) 5.609 2.616 ( 0.999 -3.468 1.931) 4.093 2.662 ( 1.670 -4.908 0.392) 5.199 2.722 ( 0.930 1.557 1.556) 2.389 2.841 ( -1.476 -0.588 0.841) 1.798 2.902 ( 0.836 2.105 0.784) 2.397 2.995 ( -2.733 1.791 -3.054) 4.472 3.200 ( 1.882 2.344 -2.510) 3.916 3.279 ( -3.095 3.819 1.095) 5.036 3.468 ( 2.876 -1.341 0.654) 3.240 3.577 ( -2.525 1.382 -0.131) 2.881 3.614 ( -2.392 2.238 1.797) 3.736 3.751 ( -3.496 -1.939 2.755) 4.855 3.773 ( 5.322 1.238 0.524) 5.489 3.958 ( 1.683 4.698 -1.340) 5.167 4.025 ( 5.074 -1.066 1.136) 5.308 4.222 ( 0.830 0.372 1.655) 1.888 4.279 ( -0.754 -0.670 0.512) 1.131 4.324 ( 0.761 2.127 -0.007) 2.259 4.824 ( 1.565 -0.651 2.683) 3.174 4.877 ( 0.384 0.769 1.251) 1.518 4.944 ( -0.821 -0.180 -3.117) 3.229 4.987 ( 0.358 -0.556 -3.305) 3.370 5.046 ( 2.849 0.789 -0.167) 2.962 5.241 ( -2.452 -2.878 0.880) 3.882 5.347 ( 0.768 0.483 -0.790) 1.203 5.382 ( 0.817 0.109 -0.814) 1.159 5.559 ( -7.339 1.133 -0.633) 7.453 5.584 ( -4.170 0.675 1.098) 4.365 5.607 ( -3.397 -0.107 -1.566) 3.742 5.715 ( -2.721 -1.016 2.439) 3.793 5.899 ( -5.520 1.231 0.599) 5.687 6.069 ( -0.212 5.554 0.956) 5.640 6.237 ( -2.027 -1.650 0.985) 2.793 6.369 ( -0.188 -0.475 -0.707) 0.872 6.604 ( -2.612 -4.890 -5.083) 7.522 6.672 ( 0.563 -5.881 2.354) 6.359 6.765 ( -1.109 2.530 -2.186) 3.523 6.933 ( 0.155 -0.413 5.614) 5.632 7.066 ( 2.138 -1.701 -1.897) 3.326 7.143 ( 0.222 -3.613 0.194) 3.625 7.292 ( 1.947 3.750 -1.936) 4.648 7.387 ( 0.540 1.225 1.511) 2.019 10.376 ( -1.382 0.259 1.026) 1.740 10.419 ( 0.090 -1.135 1.118) 1.595 10.461 ( -1.671 -0.716 -1.753) 2.526 10.476 ( -0.234 -0.537 -0.488) 0.763 10.851 ( 2.064 2.718 -2.775) 4.398 10.879 ( 0.635 1.598 2.674) 3.179 10.955 ( 3.105 3.173 -3.362) 5.569 11.069 ( 3.477 -1.023 3.095) 4.766 11.303 ( 1.402 -3.692 -0.382) 3.968 11.397 ( 2.630 0.100 -1.099) 2.852 11.459 ( -0.364 -1.274 2.398) 2.740 11.558 ( -0.959 -3.785 -1.200) 4.085 11.611 ( -2.117 0.697 -0.090) 2.231 11.698 ( 0.363 -0.332 -0.386) 0.625 11.825 ( -3.498 3.208 0.259) 4.753 11.922 ( -2.341 0.139 1.288) 2.676======================= Grid point 45 (23/54) =======================q-point: ( 0.43 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.704 ( -0.442 -7.310 -3.182) 7.985 0.791 ( -0.450 -4.539 -0.254) 4.568 0.900 ( 0.147 -1.343 -1.123) 1.757 0.953 ( 2.220 2.069 -2.590) 3.990 1.010 ( -1.333 2.327 -4.135) 4.928 1.043 ( -4.312 -0.178 -2.230) 4.857 1.053 ( -1.787 -1.142 0.152) 2.126 1.088 ( -0.131 0.255 -0.993) 1.034 1.167 ( -1.757 -2.586 1.646) 3.533 1.179 ( 2.128 3.813 1.264) 4.545 1.233 ( -0.753 2.748 -2.847) 4.028 1.313 ( 2.888 -4.605 0.673) 5.477 1.393 ( -1.469 2.179 1.709) 3.135 1.409 ( 0.894 -2.105 2.756) 3.581 1.464 ( -0.318 1.120 -0.752) 1.386 1.512 ( -0.601 0.352 0.534) 0.878 1.583 ( -3.706 -1.977 0.792) 4.274 1.620 ( 2.920 -1.527 4.110) 5.267 1.648 ( 0.087 -3.992 0.127) 3.995 1.778 ( 0.620 -0.713 3.090) 3.232 1.905 ( 1.421 3.078 -3.523) 4.890 1.983 ( 3.033 3.979 -0.600) 5.039 2.013 ( 0.832 3.520 -2.922) 4.650 2.178 ( 3.579 2.771 -4.150) 6.141 2.355 ( -1.548 -1.675 2.962) 3.739 2.413 ( -0.641 -0.232 3.014) 3.090 2.635 ( -1.423 -1.907 0.951) 2.563 2.683 ( 1.336 -7.600 0.037) 7.717 2.778 ( 1.364 -0.271 2.478) 2.841 2.821 ( -1.565 0.100 0.781) 1.752 2.913 ( 0.337 4.841 1.122) 4.981 2.937 ( -1.308 2.502 -0.341) 2.844 3.147 ( -3.669 5.513 -0.714) 6.661 3.304 ( 4.433 1.191 -4.588) 6.491 3.483 ( -2.868 -1.729 0.997) 3.494 3.548 ( 0.635 2.292 1.068) 2.607 3.606 ( -0.916 1.627 3.580) 4.037 3.723 ( -2.031 -1.563 2.972) 3.924 3.841 ( 1.864 -0.826 -1.926) 2.804 3.972 ( 1.762 4.891 -1.967) 5.558 4.098 ( 1.677 -2.655 0.510) 3.182 4.216 ( -1.595 2.013 0.329) 2.589 4.285 ( 0.691 0.258 -0.904) 1.167 4.325 ( -0.620 2.248 -1.037) 2.553 4.778 ( -2.745 -0.461 -3.624) 4.569 4.904 ( -0.953 3.386 0.390) 3.539 4.959 ( 2.115 -3.452 0.237) 4.055 4.981 ( 1.712 0.387 3.282) 3.722 5.073 ( 0.659 -0.366 -2.233) 2.357 5.235 ( -0.190 -1.632 2.066) 2.639 5.358 ( 1.072 1.749 -0.381) 2.087 5.391 ( 1.103 -1.027 -0.466) 1.577 5.461 ( -3.396 1.709 0.696) 3.865 5.527 ( -2.112 0.188 0.281) 2.138 5.588 ( 1.466 -0.845 -2.069) 2.672 5.657 ( -3.553 -1.539 -0.373) 3.890 5.835 ( -2.093 0.723 1.056) 2.453 6.068 ( -0.905 5.614 0.050) 5.687 6.210 ( -0.971 -0.895 -0.571) 1.439 6.358 ( 0.232 -2.112 -2.542) 3.313 6.516 ( -0.523 -2.352 -7.636) 8.007 6.616 ( -2.608 -1.622 -5.515) 6.313 6.802 ( 1.398 -0.168 5.615) 5.789 6.982 ( -0.238 -1.331 5.591) 5.752 7.087 ( 1.372 -1.314 -0.447) 1.952 7.168 ( 0.471 -3.175 3.077) 4.446 7.307 ( 0.964 3.878 -0.794) 4.074 7.401 ( -0.352 1.341 1.816) 2.285 10.360 ( -0.915 0.596 0.307) 1.135 10.417 ( -1.367 -0.257 -1.338) 1.930 10.439 ( 0.912 -1.712 1.050) 2.206 10.469 ( -0.056 -0.669 -0.305) 0.738 10.844 ( -0.299 2.381 -2.084) 3.178 10.897 ( 0.982 3.285 -1.940) 3.940 10.999 ( 2.178 0.636 1.037) 2.494 11.163 ( 2.261 -0.790 5.944) 6.409 11.295 ( -0.153 -4.630 -3.608) 5.872 11.447 ( -0.567 -1.342 0.064) 1.458 11.457 ( 2.203 -0.943 1.656) 2.913 11.558 ( 0.126 -2.295 1.377) 2.679 11.569 ( -1.495 0.848 -1.093) 2.037 11.714 ( 1.034 -1.300 0.769) 1.831 11.766 ( -2.551 4.091 -0.608) 4.859 11.887 ( -1.725 0.923 -0.787) 2.109======================= Grid point 46 (24/54) =======================q-point: (-0.43 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.567 ( -8.222 -3.215 -1.600) 8.972 0.802 ( -2.751 1.932 -3.564) 4.899 0.876 ( -0.505 0.676 -4.476) 4.555 0.928 ( 1.083 -0.217 -0.908) 1.430 0.942 ( 0.223 -0.167 -5.799) 5.806 0.982 ( 1.628 3.186 -2.403) 4.310 1.062 ( 1.606 -0.127 1.434) 2.157 1.103 ( 1.107 -0.631 -0.824) 1.517 1.157 ( -0.697 0.288 1.542) 1.716 1.194 ( -1.564 0.358 -3.221) 3.598 1.236 ( 0.281 2.946 0.870) 3.085 1.352 ( 1.320 -1.735 0.241) 2.194 1.410 ( 1.676 0.668 2.786) 3.319 1.423 ( -0.746 -0.813 -1.354) 1.747 1.473 ( -1.121 1.043 0.156) 1.539 1.486 ( 0.011 -0.078 3.472) 3.473 1.536 ( -2.890 0.145 3.807) 4.782 1.661 ( 1.252 -5.092 -0.266) 5.250 1.681 ( 0.791 -1.684 1.515) 2.400 1.809 ( 0.688 -1.831 2.909) 3.506 1.906 ( -1.224 1.706 -1.464) 2.560 1.970 ( -0.397 4.708 -3.841) 6.090 2.013 ( -0.605 0.396 -0.266) 0.771 2.216 ( 2.740 0.859 -1.906) 3.446 2.383 ( 1.624 -1.011 2.888) 3.464 2.425 ( 0.127 -1.178 1.463) 1.882 2.581 ( -4.846 -1.170 0.068) 4.985 2.699 ( 0.127 -6.863 -0.385) 6.875 2.798 ( -1.169 2.273 3.258) 4.141 2.801 ( -0.641 2.276 0.891) 2.527 2.900 ( -2.137 3.765 0.431) 4.351 2.979 ( 3.996 3.565 1.849) 5.665 3.114 ( 1.031 3.730 -1.022) 4.002 3.319 ( 1.203 1.367 -4.095) 4.481 3.434 ( -0.307 -1.818 -3.638) 4.079 3.547 ( -3.834 0.505 5.546) 6.762 3.658 ( 2.431 0.682 2.107) 3.288 3.727 ( -0.723 -1.465 3.485) 3.849 3.819 ( -2.212 -2.274 -0.570) 3.224 3.982 ( 0.090 1.522 -1.190) 1.934 4.094 ( -1.264 -2.805 -0.849) 3.192 4.202 ( 1.058 1.691 -2.385) 3.110 4.256 ( -2.583 0.433 -1.295) 2.922 4.281 ( -2.797 1.758 -1.608) 3.675 4.717 ( -1.673 4.210 -0.983) 4.636 4.889 ( -0.452 4.127 -0.229) 4.158 4.992 ( 3.306 -2.355 -1.363) 4.282 5.009 ( -2.053 -0.102 -2.342) 3.117 5.107 ( 2.846 -0.018 5.325) 6.038 5.251 ( -0.084 -1.752 2.206) 2.818 5.388 ( 2.328 2.604 0.430) 3.519 5.411 ( 1.240 -0.543 -0.712) 1.530 5.436 ( 0.016 -0.582 -0.216) 0.621 5.526 ( 1.838 -0.073 1.727) 2.523 5.576 ( 0.309 1.275 -4.903) 5.076 5.619 ( 0.498 -0.981 -0.193) 1.117 5.854 ( 2.194 -3.169 3.327) 5.092 6.038 ( -1.765 5.546 -0.378) 5.832 6.168 ( -2.078 -5.745 -4.135) 7.377 6.349 ( 0.739 0.620 -0.629) 1.152 6.468 ( 2.536 0.191 -8.814) 9.174 6.527 ( -1.719 0.920 -5.662) 5.988 6.880 ( 1.548 -1.729 6.187) 6.608 7.012 ( -1.548 -2.091 5.685) 6.252 7.114 ( 1.727 -0.671 -0.000) 1.853 7.196 ( -0.193 -1.931 2.408) 3.092 7.313 ( -0.062 3.347 -0.051) 3.348 7.405 ( -0.913 1.006 1.405) 1.954 10.349 ( -0.421 0.724 0.183) 0.857 10.390 ( -0.434 0.016 -0.987) 1.078 10.469 ( 0.981 -1.581 0.181) 1.869 10.471 ( 1.085 -1.268 0.228) 1.684 10.815 ( -1.085 2.616 -1.504) 3.207 10.883 ( -0.186 3.357 -2.814) 4.385 11.039 ( 0.243 -0.592 3.027) 3.094 11.207 ( -2.732 -8.551 0.830) 9.015 11.281 ( 1.487 2.347 1.935) 3.385 11.424 ( -1.571 -0.762 0.618) 1.852 11.515 ( 2.103 0.049 0.530) 2.169 11.544 ( -0.140 0.341 -1.329) 1.379 11.572 ( 0.233 -0.258 1.986) 2.016 11.725 ( 0.769 3.488 -2.925) 4.616 11.749 ( 0.152 -2.339 2.484) 3.415 11.850 ( -0.828 1.153 -1.795) 2.288======================= Grid point 47 (25/54) =======================q-point: (-0.29 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.454 ( -5.736 5.612 7.169) 10.761 0.635 ( -7.985 8.527 -3.634) 12.234 0.860 ( -0.246 1.552 -3.410) 3.755 0.904 ( -3.914 1.713 0.058) 4.272 0.975 ( 5.140 -0.727 -2.343) 5.695 0.988 ( -1.524 1.102 -1.132) 2.195 1.093 ( -0.833 -2.161 -2.673) 3.537 1.107 ( -0.732 2.546 -0.775) 2.761 1.134 ( 1.808 -2.416 2.377) 3.842 1.172 ( 1.442 -1.555 -0.460) 2.170 1.236 ( 0.268 1.647 0.928) 1.909 1.353 ( -1.367 2.385 0.433) 2.783 1.400 ( -0.852 -0.888 -0.671) 1.401 1.456 ( -0.566 1.364 0.423) 1.536 1.475 ( 2.820 1.681 1.808) 3.748 1.505 ( -2.145 -1.193 1.059) 2.673 1.548 ( 0.793 0.719 4.366) 4.495 1.682 ( 2.008 -3.341 -1.349) 4.125 1.709 ( 2.174 0.311 -1.481) 2.649 1.801 ( -2.867 -0.719 -4.328) 5.241 1.858 ( -1.818 -0.509 3.674) 4.131 1.936 ( -2.315 1.901 -1.505) 3.352 1.961 ( -3.777 1.535 -0.362) 4.093 2.234 ( 1.064 -2.268 -1.422) 2.880 2.360 ( -4.326 0.306 -1.422) 4.564 2.477 ( -2.944 -2.939 0.979) 4.274 2.517 ( 2.824 -1.556 2.880) 4.323 2.672 ( -2.388 -4.923 -0.733) 5.521 2.787 ( -0.256 4.381 1.006) 4.503 2.846 ( 2.194 4.460 3.232) 5.928 2.876 ( -1.818 2.734 1.191) 3.493 3.052 ( 2.628 1.815 -0.311) 3.209 3.142 ( 3.067 0.390 -3.697) 4.819 3.308 ( 1.029 2.128 -0.689) 2.462 3.411 ( 1.681 -3.049 -5.506) 6.514 3.534 ( -3.806 0.939 8.838) 9.668 3.659 ( -2.130 -0.417 -1.454) 2.612 3.742 ( -1.608 -2.310 4.076) 4.953 3.807 ( -0.761 -3.631 4.870) 6.122 3.930 ( -4.044 -4.037 -2.237) 6.136 4.076 ( -1.722 -0.508 1.749) 2.506 4.162 ( -0.979 -0.694 -4.007) 4.183 4.190 ( -4.728 2.063 -1.219) 5.301 4.251 ( 2.385 1.610 -2.061) 3.540 4.692 ( -1.793 8.371 1.719) 8.731 4.859 ( -2.654 3.614 -2.488) 5.128 4.958 ( 0.366 1.890 -1.548) 2.470 5.055 ( 4.017 -0.726 -0.343) 4.096 5.194 ( 1.812 -0.526 3.875) 4.310 5.262 ( -1.276 -2.852 1.986) 3.702 5.398 ( -0.592 -2.508 -2.493) 3.586 5.454 ( 4.246 2.975 -2.634) 5.816 5.460 ( 2.768 1.977 2.778) 4.392 5.546 ( 1.149 0.214 -2.776) 3.012 5.641 ( 6.946 -0.878 3.955) 8.041 5.682 ( 5.834 -1.550 0.740) 6.082 5.942 ( 2.702 -2.702 2.471) 4.551 6.033 ( 2.541 2.038 2.040) 3.843 6.082 ( -1.936 -5.913 -4.304) 7.565 6.360 ( 0.515 0.893 -1.685) 1.975 6.443 ( 1.865 1.769 -7.451) 7.882 6.471 ( 0.130 3.204 -2.145) 3.858 6.946 ( 0.030 -2.258 3.568) 4.222 7.030 ( -0.489 -2.258 3.661) 4.330 7.140 ( 0.583 -0.009 0.951) 1.115 7.195 ( -0.798 0.396 -0.865) 1.242 7.300 ( -1.635 1.527 0.825) 2.385 7.382 ( -2.657 0.041 0.080) 2.659 10.348 ( 0.087 0.279 0.283) 0.407 10.382 ( 0.181 1.046 -0.360) 1.121 10.479 ( 0.757 -2.198 -0.420) 2.362 10.504 ( 1.677 -1.235 0.005) 2.082 10.783 ( -1.156 2.841 -0.968) 3.216 10.849 ( -1.145 2.901 -1.876) 3.640 11.057 ( -1.352 -1.814 3.421) 4.102 11.124 ( -4.794 -7.767 -1.750) 9.294 11.322 ( 0.220 1.974 1.059) 2.251 11.405 ( -2.108 -0.724 3.292) 3.975 11.523 ( 0.390 2.015 -5.921) 6.266 11.537 ( 1.500 0.534 -1.515) 2.198 11.630 ( 2.423 1.933 7.098) 7.746 11.719 ( 0.756 -0.030 -2.758) 2.859 11.765 ( 0.422 -0.302 0.012) 0.518 11.848 ( 1.061 -0.645 1.137) 1.683======================= Grid point 48 (26/54) =======================q-point: (-0.14 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.420 ( -5.374 11.626 4.627) 13.618 0.533 ( -7.495 10.661 6.202) 14.433 0.704 ( -11.384 7.013 9.996) 16.694 0.872 ( 1.111 2.740 -2.960) 4.183 0.961 ( 0.632 -2.546 -0.501) 2.671 1.030 ( 1.505 1.295 -3.562) 4.078 1.085 ( 1.390 -3.597 -1.430) 4.113 1.111 ( -0.203 -0.777 0.324) 0.866 1.167 ( -0.277 -2.315 3.808) 4.465 1.185 ( 0.520 -1.574 -0.805) 1.843 1.253 ( -0.234 -2.862 0.998) 3.040 1.336 ( -0.731 3.345 -0.025) 3.424 1.373 ( -0.758 1.184 -1.014) 1.734 1.428 ( -1.448 1.278 -1.438) 2.407 1.518 ( 2.452 1.587 -0.948) 3.071 1.536 ( 3.790 2.303 1.046) 4.557 1.574 ( -1.219 1.175 2.372) 2.915 1.684 ( -0.907 -0.859 -4.266) 4.445 1.724 ( 1.415 1.940 -3.749) 4.452 1.741 ( 1.208 -0.681 -1.709) 2.201 1.840 ( -2.698 -0.267 0.022) 2.711 1.854 ( -3.080 -2.388 2.460) 4.609 1.925 ( -2.740 0.777 1.845) 3.394 2.193 ( -1.505 -2.675 -5.529) 6.323 2.318 ( -0.809 -0.885 5.305) 5.439 2.418 ( -4.015 -3.580 2.119) 5.781 2.568 ( -0.346 -1.569 -1.460) 2.171 2.639 ( -0.175 -1.842 1.917) 2.664 2.805 ( 1.483 4.229 -0.245) 4.488 2.846 ( -0.599 1.850 -1.711) 2.590 2.915 ( 2.435 4.085 0.911) 4.842 3.032 ( -2.873 0.937 -3.627) 4.721 3.180 ( 4.724 -1.785 -1.754) 5.346 3.325 ( 0.342 -1.004 -1.031) 1.479 3.402 ( 1.667 1.582 -3.226) 3.961 3.544 ( -2.899 1.010 4.275) 5.263 3.660 ( 1.030 -1.979 8.758) 9.038 3.746 ( -1.555 -3.361 4.056) 5.492 3.810 ( -4.176 -4.024 -0.361) 5.810 3.844 ( -2.830 -4.734 5.537) 7.816 4.005 ( -6.041 -2.689 -0.281) 6.618 4.110 ( -0.400 4.773 -2.199) 5.271 4.179 ( 0.862 -4.096 3.610) 5.528 4.274 ( 2.710 2.411 -3.747) 5.215 4.677 ( -1.593 7.302 2.598) 7.912 4.784 ( -2.545 4.249 -1.417) 5.152 4.978 ( 2.504 1.849 -2.642) 4.082 5.115 ( 2.199 -0.605 -1.377) 2.664 5.220 ( -3.991 -2.689 1.332) 4.994 5.237 ( 0.193 -1.286 2.049) 2.427 5.363 ( 0.916 -2.065 -5.611) 6.049 5.501 ( 4.299 2.807 -3.633) 6.289 5.537 ( 0.080 1.677 -2.295) 2.843 5.578 ( 2.815 -2.076 3.993) 5.309 5.775 ( 4.913 -3.395 1.629) 6.190 5.829 ( 6.436 -2.845 3.818) 8.005 5.977 ( 2.093 -0.057 1.629) 2.653 6.082 ( 2.089 -1.990 2.721) 3.966 6.200 ( 9.785 -1.163 4.564) 10.859 6.328 ( -0.881 -0.439 -4.131) 4.247 6.431 ( 4.424 4.839 0.062) 6.557 6.526 ( 5.128 3.671 2.720) 6.868 6.886 ( -7.519 1.071 -4.452) 8.803 7.041 ( -0.296 -2.496 -1.354) 2.854 7.152 ( -1.398 0.748 1.776) 2.380 7.180 ( 1.480 0.375 0.489) 1.603 7.271 ( -2.669 -0.539 1.367) 3.047 7.289 ( -6.526 -1.400 -2.305) 7.061 10.353 ( -0.005 0.364 0.654) 0.748 10.390 ( 0.393 1.662 0.808) 1.890 10.488 ( 0.510 -2.614 -0.512) 2.713 10.528 ( 1.162 -1.053 -0.844) 1.781 10.763 ( -0.128 2.586 -0.565) 2.650 10.819 ( -0.898 2.419 -0.545) 2.638 11.008 ( -4.891 -4.420 -1.394) 6.738 11.059 ( -2.879 -3.910 3.363) 5.907 11.300 ( -1.047 1.917 -3.584) 4.198 11.398 ( -0.541 -0.576 0.255) 0.830 11.448 ( -1.899 6.560 -6.957) 9.749 11.563 ( 1.924 0.756 0.199) 2.077 11.705 ( -0.640 -0.780 -0.385) 1.080 11.750 ( 2.000 -1.234 -0.564) 2.417 11.805 ( 5.243 -1.833 7.311) 9.182 11.886 ( 0.592 -1.149 2.932) 3.204======================= Grid point 49 (27/54) =======================q-point: ( 0.00 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( -7.973 12.949 -2.981) 15.496 0.675 ( -0.984 8.337 3.020) 8.921 0.846 ( 1.600 -2.391 -1.899) 3.447 0.894 ( 0.043 -0.217 -3.973) 3.979 0.965 ( 1.858 -1.485 0.682) 2.474 1.013 ( 0.744 1.729 2.728) 3.314 1.022 ( 2.034 -1.036 0.266) 2.298 1.030 ( -0.138 -5.387 -0.221) 5.393 1.093 ( 0.102 -2.932 0.185) 2.940 1.119 ( -1.274 -3.688 -0.656) 3.957 1.234 ( 0.046 2.639 1.464) 3.019 1.314 ( 0.452 -4.003 0.293) 4.039 1.454 ( 0.522 5.826 -1.102) 5.952 1.496 ( -1.587 3.704 -0.292) 4.040 1.543 ( -1.615 -0.957 -1.799) 2.600 1.581 ( 1.560 -3.252 -3.146) 4.786 1.601 ( -1.396 2.314 0.284) 2.718 1.648 ( -1.365 -2.131 0.078) 2.532 1.660 ( -1.501 1.750 -0.779) 2.433 1.698 ( -1.838 -1.667 -1.247) 2.777 1.902 ( 5.846 3.748 -2.177) 7.278 1.907 ( 2.458 2.076 -0.742) 3.302 1.943 ( -0.955 3.644 2.637) 4.598 2.055 ( 1.050 -4.881 -4.510) 6.728 2.330 ( 1.108 -0.819 5.820) 5.981 2.342 ( 1.021 -2.175 4.999) 5.546 2.565 ( 0.498 0.920 0.375) 1.111 2.607 ( -0.434 -2.656 0.863) 2.827 2.849 ( -1.485 2.010 -4.524) 5.169 2.879 ( -1.872 -0.124 -1.898) 2.669 2.936 ( 2.045 1.139 -9.137) 9.432 2.968 ( 1.241 -0.802 -4.996) 5.210 3.238 ( 2.054 -0.186 3.960) 4.465 3.254 ( -0.035 -1.665 3.792) 4.141 3.541 ( -0.208 2.792 1.261) 3.071 3.564 ( -2.382 2.023 -0.839) 3.236 3.681 ( 0.898 0.305 8.746) 8.797 3.725 ( -1.988 -0.867 2.795) 3.538 3.745 ( -0.372 -2.388 10.378) 10.655 3.761 ( 2.496 -2.175 4.652) 5.710 3.908 ( -4.211 3.162 3.882) 6.542 4.035 ( -1.356 -7.602 4.266) 8.822 4.254 ( 3.708 3.999 -1.631) 5.692 4.309 ( 2.419 -0.750 -2.753) 3.741 4.807 ( 0.500 6.550 -4.898) 8.194 4.878 ( 0.131 5.130 -0.770) 5.189 4.944 ( -0.394 -4.105 -6.425) 7.634 4.992 ( -0.210 -4.425 -3.474) 5.630 5.221 ( -2.150 2.799 1.395) 3.795 5.245 ( 0.105 -0.114 0.393) 0.423 5.336 ( 0.651 0.891 -2.120) 2.390 5.412 ( -3.213 -4.395 -1.744) 5.717 5.626 ( 2.719 2.903 2.470) 4.682 5.676 ( 2.127 -0.035 2.290) 3.126 5.785 ( 0.204 1.073 -0.153) 1.103 5.847 ( -0.427 -2.824 0.168) 2.861 6.061 ( 0.504 1.466 4.214) 4.490 6.099 ( -0.098 -1.641 5.419) 5.663 6.234 ( -0.952 1.540 -1.471) 2.332 6.292 ( 3.334 -3.782 1.742) 5.333 6.626 ( 2.531 0.337 4.610) 5.270 6.647 ( 0.215 -1.366 3.779) 4.024 6.783 ( -3.954 5.361 -8.401) 10.722 6.905 ( -4.522 -5.339 -5.669) 9.005 7.088 ( -3.522 2.289 -1.750) 4.550 7.150 ( -1.696 -2.935 0.315) 3.405 7.252 ( 2.537 0.867 0.209) 2.689 7.263 ( 2.872 -0.092 1.273) 3.142 10.388 ( 0.164 1.478 1.179) 1.898 10.432 ( -0.218 -2.320 0.152) 2.335 10.446 ( 0.288 2.092 0.223) 2.123 10.494 ( -0.025 -2.094 -0.914) 2.285 10.833 ( 0.762 3.171 0.781) 3.354 10.876 ( 0.580 3.225 0.259) 3.287 10.906 ( 0.034 -2.931 0.687) 3.010 10.944 ( -0.273 -3.230 0.970) 3.384 11.316 ( 0.007 2.226 -2.194) 3.125 11.365 ( 0.589 -2.169 -2.109) 3.082 11.497 ( -2.226 5.227 -3.936) 6.911 11.592 ( -1.568 -3.117 -1.276) 3.715 11.661 ( -0.303 1.454 -0.366) 1.529 11.704 ( 0.535 -2.040 -1.484) 2.579 11.888 ( 1.403 -0.491 4.414) 4.658 11.894 ( 0.269 -0.628 3.097) 3.171======================= Grid point 50 (28/54) =======================q-point: ( 0.14 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.499 ( -0.997 10.890 0.932) 10.975 0.702 ( -0.255 -2.084 2.948) 3.619 0.812 ( 0.045 0.149 -4.090) 4.093 0.896 ( 2.319 -2.769 0.162) 3.615 0.945 ( -0.848 -2.874 -2.824) 4.117 1.028 ( 0.541 -6.245 -1.098) 6.364 1.087 ( 4.533 1.251 -2.230) 5.204 1.093 ( 2.213 1.423 0.834) 2.760 1.117 ( 3.683 -1.336 2.472) 4.633 1.151 ( 2.277 -2.028 3.671) 4.772 1.254 ( 0.537 2.962 0.661) 3.082 1.315 ( -0.711 -1.603 -1.738) 2.469 1.425 ( -2.840 3.984 -0.943) 4.982 1.463 ( -1.172 1.744 -2.520) 3.281 1.506 ( -1.521 -0.302 4.148) 4.428 1.558 ( -1.966 -1.513 0.632) 2.560 1.582 ( -0.333 -0.143 -3.119) 3.140 1.603 ( -2.782 -1.192 -0.955) 3.174 1.626 ( -0.529 1.135 -2.535) 2.827 1.667 ( -0.068 -2.088 -1.390) 2.509 1.963 ( 4.298 2.753 1.833) 5.424 1.989 ( 3.159 3.838 0.678) 5.017 1.991 ( 5.035 1.995 -0.725) 5.464 2.074 ( 4.457 -2.694 -4.690) 7.009 2.384 ( -0.056 1.705 3.951) 4.304 2.417 ( 1.105 -1.552 3.576) 4.052 2.561 ( -1.926 -1.245 -0.058) 2.294 2.580 ( -2.687 -2.192 1.088) 3.635 2.786 ( 0.174 2.244 -5.172) 5.641 2.831 ( 0.164 -1.800 -3.566) 3.998 2.938 ( 2.347 2.232 -3.261) 4.596 2.979 ( 5.354 -1.407 -6.273) 8.366 3.267 ( -2.395 1.043 3.514) 4.379 3.293 ( 0.383 -1.715 3.142) 3.600 3.511 ( -2.072 4.902 1.012) 5.418 3.581 ( 1.628 -1.000 0.729) 2.045 3.716 ( -3.172 2.057 3.669) 5.268 3.733 ( -1.196 1.203 5.763) 6.007 3.746 ( -4.631 -1.854 6.223) 7.976 3.822 ( 0.428 -4.708 5.779) 7.466 3.991 ( 7.797 5.059 3.190) 9.827 4.115 ( 4.895 -5.138 2.800) 7.629 4.310 ( 2.866 2.144 -0.022) 3.579 4.323 ( 0.806 0.800 -1.002) 1.514 4.795 ( 2.193 3.020 -3.804) 5.329 4.881 ( 0.978 -4.343 -7.874) 9.045 4.905 ( 3.305 4.522 -1.171) 5.723 4.990 ( 2.415 -2.818 -2.816) 4.658 5.144 ( -5.462 4.289 0.029) 6.945 5.227 ( -3.917 -2.983 1.413) 5.123 5.335 ( 0.659 -0.303 -1.402) 1.578 5.361 ( -0.622 -2.375 -0.654) 2.540 5.664 ( -1.517 1.988 1.797) 3.079 5.697 ( -3.252 -0.933 1.398) 3.661 5.731 ( -3.470 2.550 -0.265) 4.314 5.769 ( -7.296 -0.691 -0.111) 7.330 6.035 ( -5.070 2.797 2.936) 6.492 6.110 ( -2.417 -3.617 3.374) 5.505 6.236 ( 0.745 6.543 3.138) 7.295 6.393 ( 3.645 -5.988 2.525) 7.451 6.531 ( -7.279 1.605 -0.313) 7.461 6.602 ( -5.337 -3.583 -1.660) 6.639 6.791 ( 3.951 1.678 -0.969) 4.401 6.863 ( 2.547 -4.336 0.363) 5.042 7.041 ( -0.558 2.396 -2.074) 3.218 7.105 ( -1.779 -3.097 -2.520) 4.371 7.317 ( 3.657 1.734 -0.698) 4.107 7.341 ( 4.025 -0.577 0.356) 4.082 10.393 ( -0.771 0.653 1.107) 1.499 10.410 ( -1.458 -0.563 0.051) 1.564 10.462 ( 0.525 0.025 0.249) 0.582 10.479 ( -0.669 -1.216 -0.923) 1.667 10.870 ( 1.962 2.590 1.520) 3.588 10.905 ( 2.339 3.622 -0.607) 4.354 10.933 ( 2.030 -2.781 0.316) 3.458 10.972 ( 2.289 -1.893 0.915) 3.108 11.299 ( 0.119 2.903 -2.005) 3.530 11.366 ( 1.421 -2.871 -1.870) 3.710 11.440 ( -1.332 3.169 -0.991) 3.577 11.524 ( -2.578 -4.212 -3.131) 5.847 11.660 ( -0.971 1.728 1.208) 2.321 11.696 ( -0.787 -1.348 -0.269) 1.584 11.906 ( -1.058 0.931 1.623) 2.149 11.923 ( -0.537 -0.841 2.407) 2.605======================= Grid point 51 (29/54) =======================q-point: ( 0.29 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( 2.973 2.790 4.450) 6.035 0.681 ( -1.615 -7.458 -0.403) 7.641 0.864 ( 3.658 0.570 3.325) 4.976 0.883 ( -0.807 -3.021 -0.612) 3.186 0.982 ( 2.532 -0.363 2.407) 3.512 1.034 ( 1.398 -2.973 -1.043) 3.447 1.121 ( 1.280 1.493 -2.539) 3.212 1.133 ( 0.753 0.932 -2.901) 3.139 1.160 ( -0.151 0.624 2.248) 2.338 1.217 ( 0.671 -2.941 -1.152) 3.229 1.254 ( 0.311 2.391 -2.429) 3.423 1.305 ( 3.104 -2.208 1.537) 4.108 1.341 ( -4.739 3.251 -0.477) 5.767 1.416 ( -3.236 -2.725 -1.058) 4.361 1.480 ( -2.130 3.021 1.879) 4.147 1.537 ( -0.608 -1.178 -0.928) 1.618 1.569 ( -1.323 0.514 1.087) 1.787 1.583 ( -0.983 -0.479 0.681) 1.288 1.620 ( 1.945 0.607 -0.398) 2.077 1.671 ( 2.225 -3.512 -0.238) 4.164 2.021 ( 2.192 3.694 -3.818) 5.747 2.045 ( 2.038 2.541 -2.978) 4.413 2.074 ( 4.490 4.109 -0.342) 6.096 2.141 ( 5.949 -1.575 -1.581) 6.354 2.386 ( -2.853 1.176 0.125) 3.088 2.423 ( -0.393 0.240 1.960) 2.014 2.500 ( -2.962 -2.766 0.993) 4.172 2.570 ( -1.306 -4.835 2.580) 5.634 2.775 ( 1.868 2.886 -2.076) 4.017 2.823 ( 1.310 -1.311 -1.953) 2.692 2.955 ( 1.084 2.587 -0.327) 2.824 3.004 ( 0.368 -1.259 -2.878) 3.163 3.261 ( 1.586 2.679 -0.504) 3.154 3.306 ( -0.821 -1.162 1.096) 1.796 3.497 ( -2.277 3.843 4.152) 6.098 3.579 ( -2.957 -2.580 2.023) 4.415 3.671 ( -2.718 2.843 1.593) 4.244 3.740 ( 0.794 -2.182 0.260) 2.336 3.772 ( 0.451 3.527 3.249) 4.817 3.897 ( 1.687 -6.141 5.305) 8.289 4.133 ( 5.105 6.087 -0.452) 7.957 4.214 ( 4.966 -1.512 -0.338) 5.202 4.314 ( -0.859 2.733 -0.620) 2.931 4.351 ( 0.931 -0.126 0.240) 0.969 4.811 ( 1.666 0.061 -3.004) 3.435 4.845 ( 1.678 -2.854 -5.411) 6.343 4.956 ( 2.011 2.037 -0.968) 3.021 4.997 ( -0.653 -0.800 -1.894) 2.157 5.082 ( -0.649 3.265 1.381) 3.604 5.168 ( -2.367 -3.903 2.771) 5.340 5.342 ( 1.258 0.025 -0.544) 1.370 5.362 ( 0.369 -1.668 0.749) 1.865 5.603 ( -4.472 1.809 -1.326) 5.003 5.606 ( -4.594 1.413 0.043) 4.807 5.622 ( -7.432 1.319 0.608) 7.573 5.677 ( -4.218 -2.402 0.250) 4.860 5.972 ( -3.332 5.223 0.784) 6.245 6.100 ( -0.691 -5.270 0.157) 5.317 6.270 ( -0.074 8.045 2.739) 8.499 6.404 ( -1.129 2.628 -2.838) 4.030 6.478 ( -1.097 -7.362 1.308) 7.558 6.515 ( -1.327 -6.225 -2.193) 6.732 6.841 ( 0.643 4.109 1.766) 4.519 6.914 ( 0.360 -1.951 4.442) 4.865 7.038 ( 1.558 -0.390 -0.815) 1.801 7.066 ( 0.282 -2.963 -1.699) 3.427 7.362 ( 2.056 2.441 -0.929) 3.324 7.395 ( 1.587 -0.568 0.306) 1.713 10.381 ( -0.981 0.299 0.465) 1.126 10.394 ( -0.432 -0.913 0.444) 1.103 10.454 ( -1.255 0.117 -0.727) 1.455 10.463 ( -0.411 -0.577 -0.137) 0.721 10.921 ( 1.622 2.281 1.767) 3.310 10.933 ( 1.807 4.347 -1.893) 5.074 10.970 ( 2.410 -1.510 -1.330) 3.140 11.031 ( 2.516 -3.533 1.262) 4.517 11.294 ( 0.704 3.596 -0.707) 3.732 11.383 ( 2.143 -2.365 -1.649) 3.592 11.434 ( -0.337 -0.387 2.524) 2.575 11.465 ( -1.527 -3.537 -1.219) 4.041 11.640 ( -1.707 1.758 0.289) 2.467 11.678 ( -0.999 -1.454 0.262) 1.784 11.886 ( -1.730 2.174 0.114) 2.780 11.917 ( -1.177 -0.727 0.359) 1.429======================= Grid point 52 (30/54) =======================q-point: ( 0.43 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.621 ( -0.178 0.435 2.089) 2.141 0.689 ( 1.582 -4.562 4.956) 6.919 0.884 ( 0.071 0.795 2.591) 2.712 0.941 ( 0.955 -3.047 2.439) 4.018 1.032 ( 0.697 0.535 -0.730) 1.142 1.047 ( -1.589 -0.558 -1.937) 2.567 1.058 ( -1.625 1.755 -3.179) 3.978 1.100 ( -0.099 -1.589 -0.892) 1.825 1.153 ( -0.770 3.105 -1.902) 3.722 1.218 ( 2.363 -3.044 -2.416) 4.548 1.273 ( -0.160 1.666 -0.435) 1.729 1.286 ( 1.250 5.253 1.325) 5.560 1.335 ( -1.621 -3.440 2.266) 4.427 1.415 ( 2.741 -5.258 1.132) 6.037 1.460 ( -1.316 3.084 0.937) 3.481 1.526 ( -2.295 -1.527 -0.948) 2.916 1.543 ( 0.563 -0.424 0.967) 1.197 1.559 ( -1.867 -0.484 -1.413) 2.391 1.660 ( 1.840 2.224 3.254) 4.350 1.727 ( 1.167 -3.446 2.512) 4.421 1.993 ( 0.202 3.943 -5.285) 6.597 2.034 ( 0.936 0.421 -5.342) 5.440 2.119 ( 1.853 5.317 -3.503) 6.632 2.210 ( 3.020 -1.740 -3.481) 4.926 2.333 ( -1.450 2.518 1.651) 3.342 2.455 ( 0.370 2.193 3.444) 4.099 2.487 ( -0.172 -7.242 2.236) 7.581 2.564 ( -1.593 -4.493 2.279) 5.284 2.815 ( 2.210 2.507 1.846) 3.818 2.838 ( 1.229 0.553 -0.193) 1.362 2.966 ( -0.482 0.669 -0.545) 0.988 2.977 ( -0.302 0.404 1.518) 1.600 3.262 ( -2.286 4.456 -0.556) 5.039 3.316 ( 2.892 -0.451 -2.425) 3.801 3.476 ( -3.963 1.596 3.072) 5.262 3.540 ( -2.136 -3.212 1.069) 4.002 3.659 ( 0.403 3.392 0.478) 3.450 3.751 ( 0.499 -2.816 -1.055) 3.048 3.791 ( -1.088 4.117 2.106) 4.751 3.939 ( -1.410 -6.635 3.060) 7.441 4.171 ( 1.752 7.209 -3.973) 8.415 4.277 ( 2.158 -1.874 -2.237) 3.630 4.286 ( -0.514 3.206 -2.330) 3.996 4.339 ( -1.617 -1.294 -1.541) 2.581 4.790 ( 0.410 1.912 -2.271) 2.997 4.862 ( 2.514 -4.288 -1.308) 5.140 4.969 ( 1.018 1.387 -0.455) 1.780 4.984 ( 0.651 -0.289 0.599) 0.931 5.100 ( 0.010 3.545 2.644) 4.422 5.190 ( -0.647 -3.441 5.344) 6.389 5.377 ( 2.977 0.704 -0.783) 3.158 5.388 ( 1.614 0.132 0.660) 1.749 5.510 ( -4.338 2.214 -0.810) 4.937 5.529 ( -3.726 0.062 0.992) 3.857 5.555 ( 0.088 -0.732 -1.690) 1.844 5.603 ( -2.862 -3.172 -0.713) 4.331 5.914 ( -2.243 5.987 -3.019) 7.070 6.066 ( -1.379 -7.007 -4.303) 8.338 6.274 ( -1.250 9.129 0.168) 9.215 6.376 ( 0.728 2.463 -1.951) 3.226 6.457 ( 0.163 -3.136 -2.584) 4.067 6.494 ( -1.201 -8.323 0.762) 8.444 6.855 ( 0.100 4.420 1.539) 4.681 6.946 ( -1.010 -2.891 4.265) 5.250 7.064 ( 1.685 0.081 1.055) 1.990 7.100 ( 1.178 -2.762 3.696) 4.762 7.380 ( 0.781 2.507 -0.721) 2.723 7.412 ( 0.256 -0.467 0.324) 0.623 10.373 ( -0.344 0.670 0.456) 0.881 10.394 ( -0.226 -1.325 0.247) 1.367 10.430 ( -0.409 0.644 -0.399) 0.861 10.450 ( -0.464 -1.022 -0.611) 1.277 10.922 ( -0.483 4.475 -1.441) 4.726 10.961 ( 1.283 2.308 -1.088) 2.856 10.999 ( 1.760 -0.710 -0.555) 1.977 11.062 ( -0.071 -6.207 0.336) 6.216 11.316 ( 1.266 4.706 1.547) 5.113 11.410 ( 0.970 -2.594 -0.742) 2.867 11.441 ( 0.552 -0.148 1.807) 1.895 11.473 ( 0.367 -3.695 3.308) 4.973 11.614 ( -0.900 2.423 -0.170) 2.590 11.668 ( -0.379 -2.403 0.720) 2.537 11.850 ( -1.421 2.960 -1.664) 3.682 11.891 ( -1.103 -0.793 -1.607) 2.104======================= Grid point 53 (31/54) =======================q-point: (-0.43 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.619 ( -2.650 6.971 5.881) 9.498 0.770 ( 1.661 -4.709 5.067) 7.114 0.909 ( -2.056 0.721 2.064) 3.001 0.935 ( -1.069 1.133 -0.688) 1.703 0.954 ( -0.757 1.285 -4.204) 4.461 1.000 ( -0.253 -2.090 -0.893) 2.287 1.068 ( 1.291 1.616 -2.590) 3.315 1.112 ( -0.486 -2.437 -0.868) 2.632 1.141 ( 2.720 3.875 -2.228) 5.232 1.226 ( 0.669 -2.005 -2.815) 3.521 1.287 ( -1.698 1.342 1.592) 2.687 1.307 ( 1.175 -0.099 0.031) 1.179 1.362 ( 2.791 -0.635 3.082) 4.206 1.432 ( -1.520 -2.327 -1.015) 2.959 1.483 ( 1.262 0.353 2.931) 3.210 1.508 ( 0.828 0.255 2.522) 2.667 1.519 ( -0.754 1.357 -0.236) 1.570 1.568 ( 0.868 -3.190 0.617) 3.363 1.707 ( 0.172 2.412 2.684) 3.612 1.759 ( 0.782 -2.437 2.538) 3.604 1.952 ( -1.110 2.527 -4.423) 5.214 1.998 ( -0.792 -1.334 -3.367) 3.707 2.088 ( 0.306 5.238 -6.737) 8.539 2.192 ( 0.518 -3.601 -6.816) 7.727 2.386 ( 3.396 3.506 4.531) 6.660 2.459 ( -2.702 3.211 2.281) 4.777 2.528 ( 1.109 -8.034 2.880) 8.606 2.533 ( -3.645 -3.200 1.449) 5.062 2.865 ( 1.406 3.035 0.854) 3.453 2.874 ( 1.472 2.937 3.914) 5.110 2.955 ( -0.255 1.506 0.042) 1.528 3.004 ( 1.870 -1.664 0.364) 2.529 3.216 ( -1.620 5.519 -0.852) 5.815 3.323 ( -0.019 -3.095 -2.615) 4.052 3.417 ( -3.145 2.859 0.317) 4.262 3.512 ( -2.668 -4.133 2.715) 5.619 3.677 ( 0.411 1.576 0.139) 1.635 3.736 ( -1.310 -3.417 -1.017) 3.799 3.774 ( -2.294 4.534 2.229) 5.549 3.904 ( -3.708 -6.167 0.884) 7.250 4.146 ( -0.740 4.733 -3.421) 5.887 4.227 ( -3.402 -1.569 -3.684) 5.254 4.268 ( 0.615 1.547 -3.439) 3.821 4.295 ( -1.163 -0.374 -2.583) 2.857 4.819 ( 3.410 4.853 -0.174) 5.934 4.920 ( 4.918 -4.107 -0.999) 6.484 4.986 ( 0.815 2.964 0.218) 3.082 5.010 ( 0.799 -0.057 -0.984) 1.269 5.125 ( -0.571 2.927 5.527) 6.280 5.216 ( -1.846 -3.186 6.524) 7.492 5.390 ( -1.752 1.100 -0.194) 2.078 5.430 ( 1.103 -0.120 0.561) 1.243 5.466 ( 1.637 2.787 -0.880) 3.350 5.504 ( 1.854 -1.311 -0.013) 2.271 5.566 ( 2.096 -1.486 -2.552) 3.621 5.583 ( 1.367 -2.586 -0.340) 2.945 5.855 ( -0.161 3.816 -3.614) 5.258 5.984 ( -1.825 -7.266 -6.843) 10.146 6.235 ( -2.085 9.042 -0.636) 9.301 6.377 ( 0.744 -1.014 -3.801) 4.004 6.448 ( 0.671 -0.931 0.286) 1.183 6.491 ( 0.143 -3.378 0.241) 3.390 6.884 ( 1.302 2.538 2.229) 3.620 6.958 ( -0.541 -3.287 2.687) 4.280 7.109 ( 0.737 0.649 3.426) 3.564 7.144 ( -0.290 -2.328 4.740) 5.289 7.379 ( -0.111 2.376 -1.131) 2.634 7.412 ( -0.585 -0.538 -0.243) 0.831 10.370 ( -0.517 1.082 0.219) 1.219 10.388 ( -0.113 -0.359 0.190) 0.422 10.439 ( 0.809 -0.791 -0.469) 1.225 10.444 ( 0.958 -1.013 -0.378) 1.445 10.895 ( -1.180 4.551 -1.151) 4.840 10.954 ( -0.197 2.219 -2.351) 3.239 11.018 ( -0.061 -1.660 0.578) 1.759 11.038 ( -2.304 -5.724 -0.412) 6.184 11.354 ( 0.586 3.463 2.593) 4.365 11.405 ( -0.978 -1.146 0.609) 1.624 11.491 ( 1.809 -1.121 2.536) 3.310 11.503 ( 0.878 -2.147 1.183) 2.604 11.616 ( 0.714 2.842 1.602) 3.340 11.682 ( 0.686 -3.075 2.180) 3.831 11.810 ( -0.455 3.051 -3.553) 4.705 11.854 ( -0.677 -0.901 -3.090) 3.289======================= Grid point 54 (32/54) =======================q-point: (-0.29 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.648 ( -0.750 10.087 8.718) 13.353 0.782 ( -4.077 1.720 3.208) 5.465 0.896 ( 1.594 -1.032 0.641) 2.004 0.922 ( -0.051 3.507 -2.609) 4.372 0.933 ( -0.517 -2.033 -0.723) 2.219 0.994 ( -0.868 -1.361 -1.882) 2.479 1.053 ( 0.229 -0.882 -4.228) 4.325 1.063 ( -2.453 -2.378 -1.458) 3.715 1.179 ( 0.944 1.396 -0.253) 1.704 1.202 ( -0.587 0.787 -2.688) 2.862 1.242 ( -2.118 3.569 1.486) 4.408 1.354 ( 0.371 -3.985 0.482) 4.031 1.402 ( -0.026 1.502 0.089) 1.505 1.446 ( 3.530 -2.606 2.357) 4.981 1.501 ( -0.141 2.304 1.303) 2.650 1.522 ( 0.620 0.737 1.508) 1.789 1.565 ( 1.525 1.392 3.441) 4.013 1.608 ( 3.020 -2.745 0.871) 4.173 1.741 ( 2.207 2.118 0.401) 3.085 1.783 ( 0.260 -1.378 -1.271) 1.892 1.869 ( -4.101 2.022 -1.591) 4.841 1.923 ( -4.421 -2.037 -3.025) 5.731 2.042 ( -0.459 4.584 -4.497) 6.438 2.149 ( 0.888 -4.957 -5.370) 7.362 2.385 ( -5.666 1.623 0.203) 5.898 2.422 ( -6.141 -1.898 0.070) 6.428 2.507 ( 3.126 1.256 3.062) 4.553 2.573 ( 0.490 -4.190 1.977) 4.659 2.893 ( 1.130 4.078 -0.575) 4.270 2.921 ( -0.373 1.628 2.311) 2.852 2.961 ( 1.452 4.232 0.340) 4.487 3.040 ( 2.237 -2.687 -2.349) 4.213 3.178 ( -1.269 3.494 -2.033) 4.237 3.280 ( -1.995 -4.651 -2.230) 5.531 3.412 ( 1.921 3.429 3.191) 5.063 3.512 ( -0.621 -4.308 6.026) 7.433 3.637 ( -4.313 0.924 0.235) 4.417 3.704 ( -3.669 -4.517 3.161) 6.622 3.750 ( -1.776 2.956 0.786) 3.537 3.839 ( -3.453 -4.400 -0.305) 5.601 4.089 ( -3.924 1.802 -0.614) 4.361 4.136 ( -3.722 -2.014 -0.947) 4.337 4.237 ( -0.801 2.272 -3.429) 4.191 4.271 ( 1.851 -0.352 -3.389) 3.878 4.876 ( 2.172 7.438 -0.346) 7.756 4.951 ( -1.790 3.112 -3.824) 5.245 5.000 ( 0.402 1.089 -1.137) 1.625 5.021 ( 4.225 -2.428 -0.819) 4.941 5.168 ( -0.197 0.120 4.793) 4.799 5.230 ( -2.255 -2.793 5.456) 6.531 5.356 ( -0.729 1.718 -0.730) 2.004 5.443 ( -0.418 -3.583 3.923) 5.329 5.520 ( 4.300 3.788 -3.409) 6.668 5.585 ( 4.721 1.887 -2.143) 5.517 5.616 ( 6.772 -1.234 0.118) 6.884 5.618 ( 3.492 -4.207 -1.175) 5.592 5.884 ( 4.849 -0.929 0.473) 4.960 5.923 ( 1.505 -4.007 -3.950) 5.825 6.208 ( -0.498 7.817 0.645) 7.859 6.339 ( -0.979 -3.508 -3.531) 5.073 6.477 ( 1.611 1.378 -0.390) 2.155 6.499 ( 0.763 -0.338 1.254) 1.506 6.928 ( 1.288 1.024 1.405) 2.164 6.976 ( 0.580 -2.717 1.125) 2.997 7.144 ( -0.406 0.539 4.245) 4.298 7.169 ( -1.229 -1.671 4.292) 4.767 7.345 ( -2.411 1.867 -2.266) 3.799 7.374 ( -2.980 -0.821 -1.796) 3.575 10.366 ( 0.054 1.299 0.124) 1.306 10.395 ( 0.571 -0.674 0.328) 0.943 10.445 ( 0.680 -0.005 -0.639) 0.933 10.471 ( 1.557 -1.665 -0.103) 2.282 10.863 ( -1.563 4.317 -0.482) 4.616 10.921 ( -1.452 2.831 -1.633) 3.576 10.981 ( -3.217 -4.867 -0.341) 5.844 11.004 ( -2.057 -3.051 0.722) 3.750 11.364 ( -0.750 1.639 -0.293) 1.826 11.390 ( -1.285 -0.721 1.200) 1.900 11.524 ( 1.493 0.294 0.829) 1.733 11.545 ( 2.017 -0.952 0.448) 2.275 11.668 ( 1.699 2.145 4.206) 5.017 11.718 ( 0.747 -1.813 1.234) 2.317 11.778 ( 0.584 2.288 -3.593) 4.300 11.824 ( 0.350 -1.638 -1.960) 2.578======================= Grid point 55 (33/54) =======================q-point: (-0.14 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( -3.585 10.292 5.412) 12.169 0.780 ( -1.809 10.383 0.577) 10.555 0.828 ( -5.318 1.174 2.471) 5.980 0.886 ( -0.954 0.356 -3.075) 3.239 0.933 ( 1.589 -0.256 -1.788) 2.406 0.979 ( 2.460 -4.015 -0.337) 4.721 1.024 ( 0.331 -2.348 -3.150) 3.943 1.046 ( -0.426 -5.544 0.046) 5.560 1.130 ( -3.986 1.190 -0.291) 4.171 1.174 ( -2.250 -2.676 -1.064) 3.655 1.232 ( -0.808 3.501 1.393) 3.853 1.323 ( -1.924 -4.097 0.074) 4.527 1.432 ( 1.976 4.643 0.237) 5.051 1.507 ( 1.805 1.219 -0.792) 2.317 1.533 ( 1.368 0.344 1.347) 1.950 1.561 ( 2.143 0.012 0.858) 2.309 1.606 ( 0.134 2.117 2.487) 3.268 1.663 ( 0.500 -2.323 1.313) 2.715 1.715 ( -2.761 1.213 -3.849) 4.890 1.755 ( -0.625 -0.705 -5.684) 5.762 1.837 ( 1.247 1.306 0.137) 1.811 1.855 ( 1.001 0.128 0.388) 1.081 1.987 ( -2.620 4.921 -1.545) 5.785 2.108 ( -1.657 -5.151 -4.152) 6.821 2.300 ( -2.848 -0.215 2.524) 3.812 2.332 ( -3.711 -3.288 2.388) 5.503 2.555 ( 0.557 0.614 0.116) 0.837 2.592 ( 0.660 -2.440 1.340) 2.861 2.894 ( 0.763 2.981 -2.929) 4.248 2.903 ( -1.945 2.567 0.303) 3.235 2.985 ( 1.599 1.812 -3.823) 4.523 3.018 ( -1.302 -1.712 -5.596) 5.995 3.173 ( 1.595 1.617 1.539) 2.743 3.239 ( -1.082 -3.927 0.819) 4.155 3.517 ( 4.571 5.100 3.265) 7.587 3.571 ( -3.442 2.015 6.265) 7.427 3.606 ( 3.477 -3.514 5.959) 7.743 3.650 ( -4.369 -4.784 4.080) 7.657 3.728 ( -1.395 -0.469 1.778) 2.308 3.772 ( -3.866 -3.093 0.707) 5.001 3.995 ( -7.142 1.872 3.207) 8.050 4.072 ( -4.713 -4.724 3.304) 7.446 4.218 ( 2.266 4.360 -3.588) 6.085 4.286 ( 2.799 -1.537 -3.477) 4.721 4.859 ( -1.779 8.265 -3.867) 9.297 4.898 ( -1.035 5.573 -0.978) 5.752 4.984 ( 0.318 -2.054 -3.724) 4.265 5.046 ( -0.914 -5.767 -2.581) 6.384 5.198 ( 0.766 1.364 2.548) 2.990 5.240 ( 0.247 -1.228 1.356) 1.846 5.347 ( 0.105 3.075 -1.230) 3.314 5.464 ( -1.315 -5.751 1.666) 6.130 5.559 ( 3.133 3.272 -0.859) 4.611 5.622 ( 3.026 0.205 -2.692) 4.055 5.712 ( 5.803 0.109 1.891) 6.104 5.773 ( 7.413 -2.955 0.857) 8.026 5.979 ( 4.477 0.193 1.714) 4.797 6.008 ( 5.466 -2.998 3.352) 7.078 6.226 ( 1.293 3.071 0.275) 3.344 6.295 ( -1.291 -2.635 -1.527) 3.308 6.517 ( 3.933 2.919 1.512) 5.126 6.557 ( 3.870 -0.522 1.847) 4.320 6.924 ( -2.378 2.411 -2.704) 4.334 6.983 ( -0.235 -2.766 -1.788) 3.302 7.162 ( -2.184 0.241 3.369) 4.022 7.171 ( -1.797 -0.698 3.112) 3.661 7.265 ( -3.559 0.055 -1.651) 3.923 7.271 ( -4.446 -0.491 -2.796) 5.275 10.374 ( 0.453 1.561 0.569) 1.723 10.413 ( 1.133 -1.208 0.202) 1.669 10.450 ( 0.025 0.919 -0.085) 0.923 10.492 ( 0.914 -2.067 -0.477) 2.310 10.834 ( -1.122 3.871 0.038) 4.030 10.884 ( -1.327 3.139 -0.317) 3.422 10.925 ( -2.418 -3.689 0.128) 4.413 10.965 ( -2.570 -4.054 0.949) 4.893 11.338 ( -0.632 1.804 -1.853) 2.662 11.376 ( -0.305 -1.487 -1.073) 1.859 11.551 ( -0.084 2.822 -1.210) 3.071 11.579 ( 1.912 0.199 0.389) 1.962 11.687 ( -0.759 0.173 -1.343) 1.552 11.719 ( 0.318 -1.934 -3.418) 3.940 11.806 ( 2.618 1.618 4.090) 5.118 11.850 ( 1.320 -2.045 3.061) 3.911======================= Grid point 70 (34/54) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.434 ( -8.535 0.000 12.714) 15.313 0.692 ( 6.650 0.000 -11.717) 13.473 0.787 ( 1.273 0.000 12.816) 12.879 0.949 ( 0.848 0.000 0.083) 0.852 1.041 ( 1.843 0.000 2.198) 2.868 1.059 ( -2.708 0.000 0.088) 2.709 1.112 ( 2.944 0.000 6.590) 7.218 1.134 ( -0.333 0.000 6.188) 6.197 1.221 ( -1.219 0.000 2.885) 3.132 1.241 ( -1.758 0.000 -1.135) 2.092 1.251 ( -1.447 0.000 -2.261) 2.684 1.283 ( 0.238 0.000 -3.892) 3.899 1.362 ( 2.451 0.000 4.960) 5.532 1.415 ( 0.059 0.000 2.505) 2.505 1.514 ( 0.574 0.000 -5.525) 5.555 1.518 ( -3.419 0.000 -2.735) 4.379 1.580 ( 0.052 0.000 -1.603) 1.603 1.581 ( 4.091 0.000 -1.135) 4.245 1.657 ( 0.176 0.000 6.133) 6.135 1.796 ( 5.247 0.000 0.682) 5.291 1.815 ( -5.789 0.000 -0.755) 5.838 1.869 ( -4.871 0.000 -0.936) 4.960 1.889 ( 3.138 0.000 -2.234) 3.853 1.909 ( 0.995 0.000 -12.887) 12.926 2.444 ( -5.159 0.000 2.928) 5.932 2.495 ( 4.209 0.000 -2.291) 4.792 2.580 ( 2.334 0.000 7.129) 7.501 2.681 ( -1.268 0.000 -2.274) 2.604 2.758 ( -1.913 0.000 3.444) 3.940 2.824 ( 1.942 0.000 -2.706) 3.330 2.917 ( -1.558 0.000 3.337) 3.683 2.962 ( -0.100 0.000 -0.986) 0.991 3.303 ( 0.885 0.000 -0.022) 0.885 3.309 ( 8.999 0.000 -0.837) 9.037 3.328 ( -4.108 0.000 -0.008) 4.108 3.371 ( -2.883 0.000 -3.475) 4.516 3.695 ( -3.715 0.000 2.114) 4.274 3.760 ( 1.941 0.000 -3.318) 3.844 3.848 ( 0.292 0.000 -0.449) 0.536 3.879 ( -2.319 0.000 -3.730) 4.392 3.971 ( -6.784 0.000 8.094) 10.561 4.115 ( 6.874 0.000 -3.525) 7.725 4.380 ( -1.641 0.000 1.975) 2.568 4.388 ( 1.635 0.000 1.113) 1.978 4.737 ( 1.154 0.000 6.022) 6.131 4.794 ( 1.761 0.000 5.201) 5.492 4.929 ( 2.144 0.000 -1.874) 2.848 4.958 ( -2.913 0.000 -7.420) 7.972 5.137 ( -7.979 0.000 0.299) 7.985 5.209 ( 5.571 0.000 -6.390) 8.478 5.343 ( -1.003 0.000 1.300) 1.642 5.351 ( 0.247 0.000 0.658) 0.703 5.613 ( 2.363 0.000 3.995) 4.642 5.717 ( -2.049 0.000 -5.649) 6.009 5.807 ( 1.522 0.000 6.054) 6.243 5.916 ( -3.141 0.000 -4.292) 5.319 6.041 ( -0.974 0.000 2.053) 2.273 6.103 ( -1.372 0.000 -4.122) 4.344 6.298 ( 3.595 0.000 4.784) 5.984 6.383 ( -0.720 0.000 -2.880) 2.968 6.700 ( 0.638 0.000 6.122) 6.155 6.758 ( 4.407 0.000 2.565) 5.099 6.783 ( -3.435 0.000 4.137) 5.377 6.905 ( 3.820 0.000 -6.256) 7.330 7.051 ( -4.824 0.000 -1.362) 5.012 7.113 ( 1.471 0.000 -4.856) 5.074 7.252 ( -3.314 0.000 0.562) 3.362 7.255 ( 3.964 0.000 0.130) 3.966 10.427 ( 1.087 0.000 2.509) 2.734 10.432 ( -0.722 0.000 2.598) 2.696 10.490 ( -0.132 0.000 -2.477) 2.480 10.492 ( 0.168 0.000 -2.110) 2.117 10.757 ( 2.893 0.000 0.598) 2.954 10.771 ( -2.088 0.000 -0.679) 2.195 10.944 ( 2.199 0.000 -0.266) 2.215 10.952 ( -4.641 0.000 -1.115) 4.773 11.269 ( 1.853 0.000 3.878) 4.298 11.330 ( -0.970 0.000 -1.922) 2.153 11.502 ( -0.403 0.000 5.773) 5.787 11.609 ( 2.954 0.000 -0.963) 3.107 11.646 ( -1.098 0.000 -3.269) 3.449 11.667 ( -1.259 0.000 -1.839) 2.228 11.953 ( -2.501 0.000 2.324) 3.414 12.005 ( 1.903 0.000 -2.736) 3.333======================= Grid point 71 (35/54) =======================q-point: ( 0.14 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.511 ( 4.328 0.000 9.885) 10.791 0.773 ( 10.539 0.000 -9.240) 14.016 0.904 ( -0.569 0.000 -8.686) 8.705 0.909 ( 2.344 0.000 7.300) 7.667 1.021 ( 0.214 0.000 -1.095) 1.116 1.110 ( -2.895 0.000 -4.301) 5.184 1.134 ( 2.913 0.000 1.548) 3.299 1.146 ( -3.839 0.000 -1.068) 3.985 1.193 ( -1.098 0.000 1.259) 1.671 1.225 ( -1.753 0.000 0.433) 1.806 1.285 ( 1.944 0.000 0.538) 2.017 1.291 ( 0.983 0.000 4.415) 4.523 1.400 ( -2.011 0.000 0.563) 2.089 1.418 ( -3.602 0.000 3.357) 4.924 1.475 ( 3.826 0.000 -3.286) 5.044 1.482 ( 3.887 0.000 0.193) 3.891 1.567 ( 0.483 0.000 -2.784) 2.826 1.606 ( -1.888 0.000 -0.259) 1.905 1.709 ( -0.442 0.000 2.747) 2.782 1.777 ( -3.641 0.000 -0.590) 3.688 1.778 ( 2.414 0.000 7.626) 7.998 1.838 ( 3.508 0.000 -12.483) 12.967 1.916 ( 5.770 0.000 0.992) 5.855 1.918 ( -0.112 0.000 0.488) 0.501 2.411 ( -1.495 0.000 3.488) 3.795 2.539 ( -0.434 0.000 -1.825) 1.876 2.649 ( 2.862 0.000 -4.177) 5.063 2.663 ( 1.275 0.000 4.014) 4.212 2.769 ( -0.315 0.000 4.644) 4.654 2.848 ( 3.195 0.000 -3.249) 4.556 2.906 ( -2.057 0.000 1.975) 2.852 2.950 ( 0.047 0.000 -1.005) 1.006 3.180 ( -6.555 0.000 -1.901) 6.825 3.288 ( -4.112 0.000 -1.692) 4.447 3.404 ( 5.387 0.000 1.707) 5.651 3.453 ( 7.585 0.000 -3.691) 8.435 3.687 ( 0.043 0.000 5.412) 5.412 3.779 ( 1.595 0.000 -1.898) 2.480 3.815 ( -7.632 0.000 5.774) 9.570 3.849 ( 1.215 0.000 -1.086) 1.630 3.974 ( 2.469 0.000 4.182) 4.856 4.186 ( 5.110 0.000 -6.070) 7.935 4.321 ( -4.290 0.000 1.005) 4.406 4.362 ( -3.541 0.000 -0.151) 3.545 4.829 ( 2.891 0.000 0.045) 2.891 4.872 ( 0.929 0.000 -8.888) 8.936 4.877 ( 2.171 0.000 2.511) 3.319 4.982 ( 4.607 0.000 2.474) 5.229 5.029 ( -5.155 0.000 5.733) 7.710 5.279 ( 4.974 0.000 -2.420) 5.532 5.319 ( -2.233 0.000 0.212) 2.243 5.353 ( -0.704 0.000 0.740) 1.021 5.616 ( -3.029 0.000 -4.613) 5.519 5.656 ( -2.479 0.000 3.230) 4.072 5.752 ( -9.824 0.000 -1.124) 9.888 5.838 ( -3.452 0.000 4.785) 5.900 6.020 ( -5.035 0.000 -0.405) 5.051 6.035 ( -1.892 0.000 3.516) 3.993 6.290 ( -4.308 0.000 -4.958) 6.568 6.358 ( 0.134 0.000 0.199) 0.240 6.704 ( -4.875 0.000 -2.037) 5.284 6.718 ( -4.409 0.000 -7.820) 8.977 6.778 ( 1.589 0.000 8.052) 8.207 6.938 ( 1.781 0.000 -7.035) 7.257 7.051 ( 3.591 0.000 8.207) 8.958 7.134 ( 2.999 0.000 -2.347) 3.808 7.225 ( 0.231 0.000 0.747) 0.782 7.337 ( 4.044 0.000 -0.547) 4.081 10.420 ( -2.055 0.000 0.121) 2.058 10.452 ( -0.333 0.000 0.900) 0.959 10.472 ( -0.075 0.000 -0.303) 0.312 10.473 ( -0.362 0.000 -1.145) 1.201 10.749 ( 0.910 0.000 -1.628) 1.865 10.824 ( 2.798 0.000 -1.352) 3.107 10.902 ( -0.125 0.000 3.170) 3.173 11.024 ( 4.875 0.000 1.776) 5.189 11.304 ( 0.710 0.000 -3.466) 3.538 11.344 ( 3.288 0.000 2.368) 4.052 11.528 ( -1.670 0.000 3.674) 4.036 11.576 ( -0.767 0.000 -5.889) 5.939 11.639 ( -0.528 0.000 0.009) 0.528 11.669 ( 1.848 0.000 1.881) 2.637 11.895 ( -5.780 0.000 2.058) 6.136 11.984 ( -1.859 0.000 -1.152) 2.187======================= Grid point 72 (36/54) =======================q-point: ( 0.29 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( 6.097 0.000 3.367) 6.965 0.812 ( 0.434 0.000 -11.632) 11.640 0.842 ( 2.905 0.000 -6.998) 7.577 0.941 ( -2.413 0.000 -1.385) 2.782 0.979 ( -4.825 0.000 -6.705) 8.260 1.026 ( -1.676 0.000 -4.365) 4.675 1.089 ( 1.516 0.000 0.244) 1.536 1.119 ( -2.920 0.000 -2.580) 3.896 1.133 ( -4.024 0.000 1.516) 4.300 1.197 ( -2.441 0.000 2.413) 3.432 1.292 ( -2.592 0.000 1.932) 3.232 1.331 ( 2.179 0.000 0.523) 2.241 1.378 ( -0.232 0.000 -0.654) 0.694 1.408 ( -0.002 0.000 0.851) 0.851 1.510 ( 0.482 0.000 -1.229) 1.320 1.552 ( -3.615 0.000 4.098) 5.465 1.613 ( 6.376 0.000 1.585) 6.570 1.642 ( 7.605 0.000 1.279) 7.712 1.729 ( -1.580 0.000 2.167) 2.682 1.732 ( 1.728 0.000 -1.850) 2.531 1.842 ( 6.622 0.000 -8.913) 11.104 1.860 ( -2.314 0.000 2.312) 3.271 1.949 ( 2.074 0.000 9.984) 10.197 2.001 ( 3.664 0.000 -1.640) 4.015 2.431 ( -0.741 0.000 4.777) 4.834 2.477 ( -2.330 0.000 -1.589) 2.821 2.689 ( -0.668 0.000 1.067) 1.259 2.694 ( 4.193 0.000 -4.069) 5.842 2.826 ( 0.500 0.000 6.192) 6.212 2.865 ( 0.168 0.000 -1.112) 1.124 2.885 ( 0.382 0.000 -1.204) 1.263 2.927 ( -2.904 0.000 0.324) 2.922 3.099 ( 2.283 0.000 -5.795) 6.228 3.184 ( -7.181 0.000 1.570) 7.351 3.520 ( 4.288 0.000 3.654) 5.634 3.521 ( 5.067 0.000 -5.399) 7.404 3.684 ( -10.094 0.000 5.991) 11.738 3.767 ( 2.457 0.000 5.148) 5.704 3.808 ( 0.830 0.000 1.956) 2.125 3.870 ( 1.069 0.000 -1.653) 1.969 4.073 ( 3.866 0.000 2.797) 4.772 4.211 ( 3.352 0.000 -4.947) 5.976 4.272 ( -1.228 0.000 -0.902) 1.523 4.297 ( -2.274 0.000 -2.039) 3.055 4.802 ( -2.025 0.000 -3.913) 4.406 4.838 ( 1.028 0.000 -3.769) 3.906 4.913 ( 2.475 0.000 -2.590) 3.582 5.064 ( 0.533 0.000 0.081) 0.539 5.071 ( 0.566 0.000 10.260) 10.275 5.277 ( -1.722 0.000 1.200) 2.099 5.338 ( 3.424 0.000 -1.974) 3.952 5.341 ( -0.913 0.000 0.388) 0.992 5.538 ( -7.921 0.000 -0.373) 7.930 5.550 ( -1.250 0.000 -3.052) 3.298 5.629 ( -6.516 0.000 2.809) 7.096 5.769 ( -6.266 0.000 0.829) 6.321 5.946 ( -3.335 0.000 3.706) 4.986 6.045 ( -1.106 0.000 4.725) 4.852 6.195 ( -1.380 0.000 -3.745) 3.991 6.311 ( -1.379 0.000 -6.977) 7.112 6.543 ( -4.611 0.000 -9.350) 10.425 6.577 ( -5.010 0.000 -6.337) 8.078 6.881 ( 1.870 0.000 8.240) 8.450 6.968 ( 4.573 0.000 -0.912) 4.663 7.134 ( -0.287 0.000 3.407) 3.419 7.169 ( 1.876 0.000 -0.745) 2.018 7.279 ( 2.315 0.000 4.393) 4.965 7.383 ( 1.828 0.000 -0.578) 1.917 10.379 ( -1.621 0.000 -0.776) 1.797 10.425 ( -1.267 0.000 -1.901) 2.285 10.472 ( -0.236 0.000 1.192) 1.215 10.476 ( -0.044 0.000 0.972) 0.973 10.766 ( 2.321 0.000 -2.274) 3.250 10.816 ( -0.445 0.000 -1.854) 1.906 10.998 ( 3.725 0.000 6.365) 7.375 11.133 ( 4.589 0.000 2.822) 5.387 11.301 ( 2.440 0.000 -3.847) 4.556 11.419 ( 3.307 0.000 0.466) 3.339 11.505 ( -2.185 0.000 0.579) 2.260 11.520 ( -0.482 0.000 -4.074) 4.102 11.643 ( -0.678 0.000 2.305) 2.403 11.708 ( 0.486 0.000 0.650) 0.811 11.793 ( -5.489 0.000 1.071) 5.592 11.929 ( -3.184 0.000 -0.680) 3.256======================= Grid point 73 (37/54) =======================q-point: ( 0.43 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( -2.451 0.000 -8.781) 9.117 0.751 ( -3.981 0.000 -7.938) 8.880 0.769 ( 4.732 0.000 -1.724) 5.036 0.875 ( -2.746 0.000 -0.804) 2.862 0.877 ( -0.382 0.000 -4.253) 4.270 0.899 ( -5.391 0.000 -5.928) 8.013 1.088 ( 0.927 0.000 0.744) 1.188 1.097 ( -0.340 0.000 1.266) 1.311 1.154 ( 1.465 0.000 -0.148) 1.472 1.175 ( -0.804 0.000 -0.109) 0.811 1.251 ( -3.134 0.000 3.581) 4.759 1.338 ( 0.349 0.000 -3.783) 3.799 1.381 ( 0.358 0.000 0.457) 0.581 1.402 ( 0.059 0.000 -1.759) 1.760 1.524 ( -3.093 0.000 4.475) 5.440 1.532 ( 1.585 0.000 1.558) 2.222 1.701 ( -2.717 0.000 7.418) 7.900 1.709 ( 1.841 0.000 -2.043) 2.750 1.731 ( 0.094 0.000 -2.108) 2.111 1.789 ( 4.552 0.000 -1.279) 4.728 1.833 ( 1.095 0.000 -0.302) 1.136 1.906 ( 1.846 0.000 -0.869) 2.041 2.054 ( 6.724 0.000 -2.514) 7.178 2.068 ( 0.255 0.000 8.476) 8.480 2.444 ( -2.465 0.000 4.342) 4.993 2.457 ( 1.154 0.000 -1.181) 1.652 2.664 ( -2.381 0.000 -0.066) 2.382 2.709 ( 1.726 0.000 -5.187) 5.467 2.831 ( -1.817 0.000 1.654) 2.457 2.853 ( 0.870 0.000 -0.050) 0.871 2.889 ( -2.438 0.000 3.018) 3.880 2.931 ( 1.549 0.000 1.214) 1.968 3.070 ( -6.575 0.000 3.467) 7.433 3.131 ( 6.161 0.000 -7.613) 9.793 3.531 ( -7.629 0.000 4.548) 8.881 3.572 ( 5.831 0.000 -5.570) 8.064 3.640 ( 0.177 0.000 6.688) 6.690 3.843 ( 0.783 0.000 -4.428) 4.496 3.845 ( 0.045 0.000 4.650) 4.650 3.848 ( 1.370 0.000 3.057) 3.350 4.142 ( 2.234 0.000 0.790) 2.370 4.200 ( -1.890 0.000 -3.728) 4.179 4.252 ( -0.139 0.000 -1.738) 1.743 4.260 ( 0.107 0.000 -1.308) 1.313 4.742 ( -3.202 0.000 1.038) 3.366 4.821 ( 0.665 0.000 -3.707) 3.766 4.948 ( 2.940 0.000 -0.941) 3.087 5.020 ( -2.278 0.000 -3.175) 3.908 5.164 ( 0.782 0.000 7.711) 7.750 5.269 ( 0.413 0.000 -0.108) 0.427 5.338 ( -0.043 0.000 1.753) 1.754 5.390 ( 2.841 0.000 -0.951) 2.996 5.440 ( -2.451 0.000 -0.486) 2.499 5.483 ( -1.928 0.000 -5.288) 5.629 5.552 ( -3.112 0.000 2.461) 3.967 5.655 ( -4.811 0.000 -1.764) 5.124 5.980 ( 0.724 0.000 8.065) 8.097 6.048 ( -3.233 0.000 4.984) 5.941 6.181 ( 2.052 0.000 -2.605) 3.316 6.237 ( 2.359 0.000 -10.689) 10.946 6.419 ( -2.242 0.000 -5.659) 6.087 6.431 ( -4.555 0.000 -6.505) 7.941 6.977 ( 1.405 0.000 7.172) 7.308 7.056 ( 3.972 0.000 1.739) 4.336 7.129 ( -1.437 0.000 0.403) 1.493 7.178 ( -0.126 0.000 -1.534) 1.539 7.341 ( 0.065 0.000 4.605) 4.605 7.402 ( 0.872 0.000 -0.557) 1.035 10.355 ( -0.644 0.000 0.171) 0.666 10.388 ( -1.010 0.000 -1.642) 1.928 10.480 ( 0.238 0.000 0.683) 0.723 10.483 ( 0.100 0.000 0.571) 0.580 10.786 ( 1.811 0.000 -2.137) 2.801 10.792 ( -0.995 0.000 -0.888) 1.334 11.102 ( 1.298 0.000 6.416) 6.545 11.220 ( 2.974 0.000 0.091) 2.975 11.338 ( 3.847 0.000 -0.501) 3.880 11.452 ( 0.566 0.000 -2.218) 2.289 11.473 ( -1.353 0.000 0.022) 1.353 11.492 ( -0.967 0.000 -1.310) 1.628 11.640 ( -1.715 0.000 1.829) 2.507 11.662 ( -2.008 0.000 -1.001) 2.243 11.786 ( 1.760 0.000 1.372) 2.231 11.861 ( -3.358 0.000 -0.754) 3.442======================= Grid point 74 (38/54) =======================q-point: (-0.43 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( -7.081 0.000 0.695) 7.115 0.619 ( -3.184 0.000 1.935) 3.726 0.783 ( -1.423 0.000 -4.541) 4.759 0.850 ( 1.584 0.000 -1.639) 2.280 0.859 ( 5.659 0.000 -1.077) 5.760 0.893 ( 4.876 0.000 -2.088) 5.304 1.091 ( -1.090 0.000 0.060) 1.092 1.113 ( 0.609 0.000 0.402) 0.730 1.159 ( -1.336 0.000 -1.187) 1.787 1.172 ( 1.977 0.000 0.333) 2.004 1.254 ( -0.857 0.000 3.879) 3.973 1.323 ( 1.708 0.000 -3.089) 3.529 1.390 ( 1.086 0.000 -0.365) 1.146 1.394 ( 0.444 0.000 -1.400) 1.468 1.515 ( -1.832 0.000 2.910) 3.439 1.581 ( 2.592 0.000 0.690) 2.682 1.648 ( -8.288 0.000 7.693) 11.308 1.705 ( -1.245 0.000 -1.307) 1.805 1.710 ( -0.957 0.000 -0.439) 1.053 1.838 ( -0.485 0.000 -4.301) 4.328 1.853 ( 0.063 0.000 -2.041) 2.042 1.887 ( 2.126 0.000 1.684) 2.712 2.050 ( -5.784 0.000 0.286) 5.791 2.187 ( 6.454 0.000 -2.156) 6.804 2.409 ( -3.611 0.000 1.746) 4.011 2.502 ( 3.995 0.000 -0.112) 3.996 2.614 ( -3.785 0.000 3.122) 4.906 2.695 ( 1.052 0.000 -3.525) 3.679 2.825 ( -0.407 0.000 1.957) 1.999 2.856 ( -0.237 0.000 -0.739) 0.776 2.904 ( -4.885 0.000 3.603) 6.070 2.926 ( 2.744 0.000 1.598) 3.176 3.040 ( 0.571 0.000 -0.144) 0.589 3.179 ( 5.744 0.000 -6.173) 8.432 3.442 ( -5.928 0.000 4.982) 7.743 3.631 ( 4.063 0.000 -4.008) 5.707 3.690 ( -1.120 0.000 8.012) 8.090 3.798 ( 2.078 0.000 -7.834) 8.105 3.872 ( -1.266 0.000 3.718) 3.928 3.911 ( 1.415 0.000 0.348) 1.457 4.122 ( -3.065 0.000 -0.089) 3.067 4.183 ( 2.056 0.000 -1.856) 2.770 4.228 ( -1.728 0.000 1.272) 2.146 4.236 ( -2.216 0.000 -0.495) 2.271 4.705 ( -3.830 0.000 5.795) 6.946 4.800 ( 0.299 0.000 -3.295) 3.309 4.954 ( -2.633 0.000 -1.612) 3.087 4.996 ( 3.098 0.000 -0.560) 3.148 5.227 ( 0.617 0.000 4.333) 4.377 5.280 ( 1.310 0.000 -3.169) 3.429 5.384 ( 2.886 0.000 4.126) 5.035 5.384 ( -0.804 0.000 -2.537) 2.662 5.405 ( -1.149 0.000 -2.067) 2.365 5.458 ( 3.085 0.000 -3.109) 4.380 5.594 ( 4.566 0.000 4.144) 6.166 5.601 ( 1.628 0.000 -1.993) 2.573 6.033 ( -2.920 0.000 6.796) 7.396 6.064 ( 0.470 0.000 7.472) 7.487 6.167 ( -0.239 0.000 -8.089) 8.093 6.214 ( 4.031 0.000 -10.207) 10.974 6.344 ( -0.997 0.000 0.828) 1.296 6.372 ( 0.663 0.000 -0.652) 0.930 7.047 ( 0.091 0.000 4.421) 4.421 7.086 ( -0.696 0.000 -3.308) 3.380 7.136 ( 1.277 0.000 2.890) 3.160 7.139 ( -1.651 0.000 -2.296) 2.828 7.361 ( -1.442 0.000 3.294) 3.596 7.404 ( -0.126 0.000 -1.162) 1.168 10.358 ( 0.188 0.000 1.258) 1.272 10.365 ( -0.418 0.000 -0.828) 0.928 10.491 ( 0.614 0.000 -0.293) 0.680 10.492 ( 0.748 0.000 -0.154) 0.764 10.764 ( -1.519 0.000 -0.072) 1.520 10.795 ( 0.783 0.000 -1.247) 1.472 11.152 ( -0.826 0.000 5.060) 5.127 11.235 ( 1.129 0.000 -5.566) 5.679 11.373 ( -6.230 0.000 -2.302) 6.641 11.397 ( 0.240 0.000 2.287) 2.299 11.474 ( 0.828 0.000 0.938) 1.252 11.482 ( 1.450 0.000 -1.178) 1.868 11.628 ( 0.101 0.000 2.164) 2.167 11.670 ( 2.439 0.000 -1.006) 2.638 11.802 ( -2.479 0.000 -0.305) 2.497 11.839 ( 2.665 0.000 1.460) 3.039======================= Grid point 75 (39/54) =======================q-point: (-0.29 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.553 ( -4.469 0.000 11.907) 12.718 0.635 ( -2.928 0.000 11.446) 11.815 0.758 ( 1.156 0.000 -3.621) 3.801 0.894 ( 3.801 0.000 -0.677) 3.860 0.923 ( -2.664 0.000 1.063) 2.868 0.961 ( 4.782 0.000 1.156) 4.920 1.092 ( 1.512 0.000 0.372) 1.558 1.100 ( -1.709 0.000 -1.022) 1.991 1.158 ( 3.935 0.000 -0.423) 3.957 1.228 ( 3.540 0.000 -0.770) 3.623 1.265 ( -2.120 0.000 4.712) 5.167 1.334 ( 0.540 0.000 0.339) 0.637 1.393 ( 0.943 0.000 -1.134) 1.474 1.403 ( -0.755 0.000 -1.716) 1.875 1.476 ( -4.101 0.000 2.961) 5.058 1.595 ( -1.877 0.000 3.698) 4.148 1.601 ( -6.554 0.000 2.721) 7.097 1.640 ( 0.902 0.000 -4.641) 4.728 1.692 ( -1.669 0.000 1.249) 2.084 1.746 ( -1.668 0.000 -2.976) 3.412 1.856 ( -4.573 0.000 -3.912) 6.018 1.901 ( 3.251 0.000 -1.473) 3.569 1.976 ( -1.060 0.000 1.325) 1.697 2.169 ( -1.951 0.000 -9.723) 9.917 2.398 ( -0.456 0.000 5.425) 5.444 2.546 ( 1.613 0.000 -4.869) 5.129 2.590 ( -3.610 0.000 5.165) 6.301 2.692 ( 0.893 0.000 -0.774) 1.182 2.821 ( -3.743 0.000 2.998) 4.796 2.851 ( -1.056 0.000 1.445) 1.789 2.880 ( -1.097 0.000 5.902) 6.003 2.943 ( 1.332 0.000 -4.736) 4.919 3.065 ( 4.325 0.000 -3.321) 5.453 3.245 ( 4.833 0.000 -2.966) 5.671 3.404 ( -2.697 0.000 3.986) 4.813 3.601 ( -3.953 0.000 -3.221) 5.099 3.759 ( 0.876 0.000 8.114) 8.162 3.828 ( 7.010 0.000 -7.231) 10.071 3.867 ( -0.700 0.000 0.192) 0.726 3.871 ( -1.838 0.000 -4.024) 4.424 4.114 ( -1.013 0.000 -0.308) 1.058 4.133 ( -5.707 0.000 0.944) 5.785 4.197 ( -1.265 0.000 4.576) 4.748 4.245 ( 0.893 0.000 2.183) 2.358 4.706 ( -2.648 0.000 8.191) 8.609 4.774 ( -1.257 0.000 -1.130) 1.690 4.903 ( -1.215 0.000 -1.136) 1.663 5.059 ( 3.661 0.000 -0.042) 3.661 5.258 ( 1.011 0.000 -6.699) 6.775 5.269 ( 0.527 0.000 2.635) 2.687 5.345 ( -1.202 0.000 -1.360) 1.816 5.360 ( -0.420 0.000 -3.940) 3.962 5.495 ( 4.209 0.000 3.175) 5.272 5.534 ( 6.668 0.000 -0.036) 6.668 5.677 ( 7.091 0.000 -1.757) 7.306 5.755 ( 8.814 0.000 2.640) 9.201 6.063 ( -0.804 0.000 -7.125) 7.171 6.101 ( 2.231 0.000 11.025) 11.249 6.110 ( -0.493 0.000 3.607) 3.640 6.197 ( 3.367 0.000 -9.028) 9.635 6.388 ( 2.062 0.000 5.494) 5.868 6.441 ( 3.873 0.000 5.978) 7.123 6.985 ( -6.586 0.000 -2.428) 7.019 7.031 ( -1.035 0.000 -5.727) 5.819 7.146 ( 1.557 0.000 1.766) 2.354 7.162 ( -0.464 0.000 0.872) 0.988 7.348 ( -2.504 0.000 2.445) 3.500 7.365 ( -2.660 0.000 -3.010) 4.016 10.360 ( 0.133 0.000 0.530) 0.546 10.381 ( 0.690 0.000 2.143) 2.252 10.500 ( 1.050 0.000 -1.236) 1.622 10.501 ( 0.783 0.000 -1.063) 1.320 10.738 ( -1.453 0.000 0.414) 1.511 10.796 ( -0.004 0.000 0.037) 0.037 11.159 ( -2.791 0.000 -9.314) 9.723 11.162 ( -1.826 0.000 1.676) 2.479 11.237 ( -6.368 0.000 0.600) 6.396 11.397 ( -1.840 0.000 2.147) 2.828 11.465 ( -1.973 0.000 1.325) 2.376 11.511 ( 2.304 0.000 -0.400) 2.338 11.698 ( 1.820 0.000 -2.550) 3.132 11.703 ( 2.601 0.000 1.639) 3.074 11.793 ( 3.440 0.000 1.701) 3.838 11.902 ( 2.450 0.000 1.831) 3.059======================= Grid point 76 (40/54) =======================q-point: (-0.14 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( -13.761 0.000 9.231) 16.571 0.639 ( -0.050 0.000 15.143) 15.143 0.731 ( 1.858 0.000 -8.970) 9.161 0.896 ( -2.037 0.000 9.256) 9.478 0.977 ( 3.453 0.000 5.178) 6.224 1.028 ( 0.716 0.000 0.810) 1.081 1.093 ( 0.999 0.000 1.030) 1.435 1.116 ( -0.874 0.000 0.912) 1.263 1.245 ( 5.142 0.000 0.277) 5.150 1.245 ( -2.754 0.000 2.251) 3.557 1.266 ( -0.028 0.000 0.525) 0.526 1.313 ( -6.579 0.000 4.318) 7.869 1.338 ( -0.484 0.000 -2.684) 2.727 1.415 ( 0.559 0.000 -1.463) 1.566 1.492 ( 3.159 0.000 1.143) 3.360 1.496 ( -0.835 0.000 0.187) 0.856 1.608 ( 1.460 0.000 -3.683) 3.962 1.619 ( -1.144 0.000 -2.666) 2.901 1.638 ( -5.062 0.000 3.309) 6.047 1.733 ( 1.853 0.000 -1.192) 2.204 1.808 ( 2.549 0.000 -1.207) 2.821 1.924 ( -0.068 0.000 -0.868) 0.870 1.949 ( -2.650 0.000 -2.546) 3.675 2.030 ( -2.445 0.000 -11.626) 11.880 2.467 ( 2.010 0.000 6.168) 6.488 2.493 ( -0.736 0.000 -4.880) 4.935 2.538 ( -6.574 0.000 5.303) 8.447 2.703 ( -0.047 0.000 0.042) 0.063 2.776 ( -3.479 0.000 3.684) 5.067 2.829 ( -0.976 0.000 -0.770) 1.243 2.910 ( -0.669 0.000 3.346) 3.412 2.952 ( 2.935 0.000 -3.035) 4.222 3.159 ( 7.789 0.000 -1.142) 7.873 3.277 ( 0.460 0.000 0.206) 0.504 3.393 ( -1.468 0.000 0.801) 1.672 3.478 ( -5.071 0.000 -4.156) 6.557 3.767 ( -4.222 0.000 -1.349) 4.432 3.787 ( -1.101 0.000 -2.029) 2.308 3.858 ( -0.252 0.000 -1.200) 1.226 3.931 ( 4.748 0.000 -5.237) 7.069 4.037 ( -7.149 0.000 6.039) 9.358 4.050 ( -0.911 0.000 -1.719) 1.946 4.288 ( 5.191 0.000 3.936) 6.514 4.318 ( 4.062 0.000 3.992) 5.695 4.733 ( -3.607 0.000 2.968) 4.671 4.738 ( -1.215 0.000 7.534) 7.631 4.903 ( 2.039 0.000 -1.464) 2.510 5.071 ( -1.833 0.000 -4.262) 4.639 5.208 ( 2.132 0.000 -9.547) 9.782 5.257 ( -3.682 0.000 0.305) 3.694 5.339 ( -0.231 0.000 1.732) 1.747 5.344 ( 1.066 0.000 -2.808) 3.003 5.549 ( 1.254 0.000 1.519) 1.970 5.674 ( 6.588 0.000 2.552) 7.065 5.767 ( 3.549 0.000 -3.334) 4.870 5.906 ( 6.153 0.000 -1.697) 6.383 6.031 ( 1.461 0.000 -1.616) 2.178 6.126 ( 2.009 0.000 -2.798) 3.445 6.204 ( 2.546 0.000 -0.098) 2.548 6.318 ( 8.167 0.000 5.110) 9.634 6.534 ( 8.347 0.000 10.063) 13.074 6.594 ( 6.004 0.000 7.922) 9.941 6.832 ( -8.365 0.000 2.315) 8.679 6.956 ( -0.594 0.000 -7.943) 7.966 7.132 ( -2.513 0.000 -1.380) 2.867 7.175 ( 0.600 0.000 -2.452) 2.524 7.253 ( -5.002 0.000 -2.890) 5.777 7.310 ( -3.670 0.000 1.892) 4.129 10.383 ( 1.075 0.000 2.312) 2.550 10.412 ( 0.353 0.000 2.635) 2.658 10.501 ( 0.547 0.000 -1.782) 1.864 10.504 ( 0.751 0.000 -2.034) 2.168 10.726 ( 0.068 0.000 0.508) 0.513 10.797 ( -0.493 0.000 0.894) 1.021 11.002 ( -5.038 0.000 -6.734) 8.410 11.067 ( -5.934 0.000 -2.338) 6.378 11.218 ( -0.416 0.000 4.891) 4.909 11.367 ( -2.236 0.000 0.294) 2.256 11.465 ( -0.627 0.000 4.300) 4.346 11.556 ( 2.704 0.000 0.219) 2.713 11.689 ( 0.297 0.000 -4.087) 4.098 11.702 ( -1.008 0.000 -1.056) 1.460 11.934 ( 7.794 0.000 -0.959) 7.853 11.949 ( 0.671 0.000 2.066) 2.173======================= Grid point 77 (41/54) =======================q-point: ( 0.00 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.476 ( -6.322 2.898 10.980) 12.997 0.698 ( 3.374 0.182 -5.469) 6.429 0.757 ( 0.567 0.478 7.192) 7.230 0.933 ( 2.754 -1.701 -2.365) 4.010 0.974 ( 2.140 -4.702 1.393) 5.351 1.042 ( -3.338 -3.337 -2.931) 5.556 1.093 ( 3.785 -1.066 3.579) 5.318 1.152 ( -1.591 0.879 4.481) 4.836 1.187 ( -2.508 -3.043 0.346) 3.958 1.239 ( 0.116 -0.853 2.997) 3.118 1.260 ( -0.953 -1.475 0.177) 1.765 1.331 ( -0.431 0.091 -2.762) 2.797 1.353 ( -0.804 -0.868 2.346) 2.627 1.416 ( -0.173 5.018 2.524) 5.620 1.501 ( -0.951 -0.156 -4.418) 4.521 1.516 ( 2.408 -1.509 -5.293) 6.007 1.556 ( 2.795 0.149 0.112) 2.801 1.587 ( -0.437 0.701 -2.520) 2.652 1.675 ( -1.955 1.712 5.552) 6.130 1.770 ( -3.179 -1.668 1.275) 3.810 1.809 ( 3.143 0.816 -0.550) 3.293 1.837 ( 3.762 -1.066 -5.062) 6.397 1.920 ( -1.233 3.607 1.523) 4.105 1.985 ( -0.014 2.473 -6.290) 6.759 2.447 ( -2.457 -0.232 3.433) 4.228 2.487 ( 0.344 -0.404 0.340) 0.630 2.580 ( 2.231 -1.321 4.631) 5.308 2.663 ( -0.958 -1.761 -1.623) 2.579 2.744 ( -1.079 -0.405 -0.330) 1.199 2.791 ( 1.575 -1.963 -4.301) 4.983 2.893 ( -2.266 -1.968 1.477) 3.345 2.937 ( 1.301 -2.166 -2.387) 3.476 3.290 ( 3.609 0.718 1.872) 4.128 3.314 ( -1.733 0.352 0.133) 1.773 3.417 ( 5.083 6.276 0.544) 8.094 3.465 ( -5.316 5.272 -2.711) 7.962 3.709 ( -3.448 1.981 1.479) 4.243 3.758 ( 2.983 0.192 -2.964) 4.209 3.853 ( 1.291 1.448 4.669) 5.056 3.938 ( -4.301 3.173 -1.152) 5.467 4.005 ( -5.982 2.354 6.480) 9.128 4.134 ( 7.052 1.383 -3.296) 7.906 4.284 ( -3.634 -6.564 3.774) 8.398 4.323 ( 4.249 -5.126 0.784) 6.704 4.727 ( 2.360 -1.225 3.295) 4.234 4.800 ( -0.408 0.858 0.645) 1.149 4.905 ( -1.046 -2.122 -2.656) 3.557 4.950 ( -0.138 -0.805 -5.025) 5.091 5.168 ( -6.209 2.772 0.940) 6.865 5.225 ( 5.193 1.311 -4.539) 7.021 5.336 ( 1.377 -0.763 2.742) 3.162 5.381 ( -2.403 1.241 -1.806) 3.252 5.621 ( 3.472 1.357 3.608) 5.188 5.713 ( -1.924 0.203 -4.447) 4.850 5.789 ( 0.681 -1.174 4.911) 5.095 5.878 ( -1.517 -2.487 -3.295) 4.398 6.075 ( -0.027 2.469 2.370) 3.422 6.135 ( -2.121 2.399 -3.407) 4.676 6.275 ( 1.407 -1.464 6.642) 6.946 6.390 ( 1.431 -0.318 -3.732) 4.009 6.653 ( 1.938 -3.681 3.491) 5.430 6.729 ( 2.950 -2.764 -0.609) 4.089 6.758 ( -5.159 -0.672 6.081) 8.002 6.929 ( 1.135 1.153 -8.241) 8.399 6.995 ( -0.809 -3.176 4.149) 5.287 7.126 ( -1.547 -0.527 -6.464) 6.668 7.253 ( 1.162 0.751 1.764) 2.242 7.274 ( 0.111 1.049 -0.180) 1.070 10.417 ( 0.452 -0.450 2.361) 2.446 10.440 ( -0.630 0.357 1.733) 1.878 10.465 ( 0.555 -1.529 -1.369) 2.126 10.489 ( -0.131 -0.562 -2.175) 2.250 10.789 ( 2.558 2.567 0.840) 3.720 10.804 ( -1.518 2.684 -0.467) 3.119 10.949 ( 1.959 0.102 0.617) 2.056 10.977 ( -3.990 0.836 -2.166) 4.616 11.260 ( 1.243 0.130 2.765) 3.035 11.321 ( -0.346 -0.654 -2.818) 2.914 11.482 ( 0.004 -1.445 4.839) 5.050 11.593 ( -1.091 -2.608 -5.631) 6.300 11.644 ( 1.158 1.546 2.327) 3.024 11.687 ( -0.504 0.948 -1.858) 2.146 11.947 ( -1.720 -0.494 1.795) 2.534 11.975 ( 1.647 -2.035 -0.722) 2.716======================= Grid point 78 (42/54) =======================q-point: ( 0.14 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( 2.840 2.232 9.849) 10.491 0.738 ( 6.049 -2.890 -8.683) 10.970 0.857 ( 1.923 -1.513 8.448) 8.795 0.925 ( 4.072 1.419 -8.232) 9.293 0.970 ( -0.840 -5.438 -4.248) 6.951 1.058 ( -1.220 -2.793 -0.660) 3.119 1.081 ( 0.391 -2.375 0.331) 2.430 1.169 ( 0.512 -2.216 2.167) 3.141 1.211 ( -2.029 -0.003 1.372) 2.450 1.234 ( 0.384 -0.524 0.556) 0.855 1.262 ( -0.903 -1.043 1.064) 1.742 1.336 ( -4.201 0.130 1.329) 4.408 1.343 ( 2.719 -2.530 1.993) 4.215 1.382 ( -0.617 1.721 0.802) 1.996 1.496 ( 1.114 1.480 -3.649) 4.093 1.529 ( 3.323 3.014 0.122) 4.488 1.560 ( -0.459 -0.245 -2.322) 2.380 1.602 ( 1.828 -0.810 -0.909) 2.197 1.661 ( -3.935 -3.609 4.679) 7.099 1.710 ( -1.666 0.076 1.817) 2.466 1.847 ( 3.872 1.774 -5.137) 6.673 1.880 ( 3.461 1.422 -3.938) 5.432 1.945 ( 0.122 3.891 0.715) 3.958 1.979 ( 4.164 3.939 -0.165) 5.734 2.420 ( -1.741 0.894 2.893) 3.493 2.519 ( -0.174 -2.144 0.863) 2.318 2.612 ( -1.244 -2.419 -2.899) 3.975 2.650 ( 1.317 -2.651 2.806) 4.078 2.740 ( 0.657 -0.941 1.727) 2.073 2.825 ( 4.162 -1.768 -2.570) 5.201 2.884 ( 0.397 -1.401 1.189) 1.880 2.938 ( 0.491 -0.954 -1.056) 1.506 3.231 ( -5.517 3.594 -1.937) 6.863 3.338 ( -1.041 0.328 -1.934) 2.221 3.391 ( 2.172 4.226 0.375) 4.766 3.552 ( 6.189 5.021 0.743) 8.004 3.672 ( -1.876 0.345 2.390) 3.058 3.783 ( -0.017 0.823 -1.121) 1.391 3.860 ( -3.739 1.908 5.238) 6.713 3.911 ( -0.315 5.301 -0.274) 5.317 3.992 ( 1.497 1.337 4.242) 4.693 4.212 ( 3.170 0.786 -4.719) 5.739 4.237 ( -0.045 -4.643 0.459) 4.666 4.337 ( -2.105 -2.382 -1.608) 3.563 4.796 ( 2.451 -3.073 -4.689) 6.119 4.836 ( 4.211 -2.886 1.878) 5.440 4.881 ( 0.182 0.615 0.023) 0.642 4.970 ( 3.711 -1.050 0.469) 3.885 5.073 ( -5.025 3.746 3.582) 7.219 5.285 ( 3.212 0.339 -1.942) 3.768 5.311 ( -2.795 -0.995 -0.793) 3.071 5.382 ( 0.615 1.575 2.308) 2.861 5.598 ( -4.492 -0.089 -5.055) 6.763 5.666 ( -2.605 0.905 2.175) 3.513 5.754 ( -7.908 0.042 -1.333) 8.019 5.806 ( -3.092 -2.104 3.551) 5.157 6.020 ( -6.145 1.312 0.395) 6.296 6.105 ( -1.009 3.950 2.419) 4.741 6.282 ( -3.628 -0.880 -1.896) 4.187 6.359 ( -0.229 0.147 -1.873) 1.893 6.619 ( -5.546 -4.862 -4.789) 8.794 6.684 ( -1.267 -4.883 -0.161) 5.048 6.800 ( -0.383 2.476 6.114) 6.607 6.936 ( 2.776 -0.159 -4.691) 5.453 7.028 ( 2.298 -1.465 3.906) 4.763 7.117 ( 2.360 -2.873 0.674) 3.779 7.247 ( 1.123 2.575 -0.394) 2.837 7.348 ( 4.135 0.479 -0.460) 4.188 10.415 ( -1.811 -0.373 -0.227) 1.863 10.436 ( -0.296 -1.267 1.551) 2.025 10.462 ( -0.849 -0.195 -2.014) 2.195 10.473 ( 0.231 -0.322 0.414) 0.573 10.787 ( 0.914 3.203 -1.722) 3.750 10.860 ( 3.935 2.278 -0.833) 4.622 10.913 ( -1.424 1.199 1.000) 2.113 11.032 ( 4.726 -0.148 2.947) 5.571 11.275 ( -0.229 -1.636 -2.104) 2.675 11.336 ( 3.155 -0.529 0.618) 3.258 11.506 ( -1.695 -1.665 0.442) 2.417 11.553 ( 0.682 -2.537 0.997) 2.809 11.640 ( -1.917 0.954 -1.444) 2.582 11.686 ( 0.924 0.899 0.682) 1.459 11.903 ( -4.157 0.638 0.905) 4.302 11.968 ( -1.412 -1.210 -0.708) 1.990======================= Grid point 79 (43/54) =======================q-point: ( 0.29 0.20 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( 1.615 -2.322 1.972) 3.448 0.748 ( 3.398 -1.082 -4.578) 5.803 0.896 ( 0.522 2.155 -4.936) 5.411 0.904 ( -2.181 -3.238 -3.676) 5.362 0.961 ( 0.013 1.477 -2.000) 2.486 1.033 ( 2.758 -0.885 -3.060) 4.214 1.072 ( -2.298 -1.202 -0.087) 2.595 1.131 ( -2.566 2.026 -2.286) 3.989 1.192 ( -1.270 -0.210 0.730) 1.479 1.215 ( -4.645 1.963 -0.100) 5.044 1.247 ( -0.183 -2.216 1.688) 2.791 1.292 ( 0.260 -3.435 2.451) 4.228 1.402 ( 0.848 0.370 -0.556) 1.079 1.405 ( 1.013 1.484 1.952) 2.653 1.500 ( -1.517 0.206 0.917) 1.785 1.557 ( 0.893 -1.307 2.670) 3.104 1.574 ( 2.471 -4.101 -1.611) 5.052 1.610 ( 0.589 0.297 -0.602) 0.893 1.680 ( 0.114 -1.977 6.667) 6.955 1.744 ( 4.722 -0.163 -0.110) 4.726 1.862 ( 2.457 1.209 -6.257) 6.830 1.924 ( 2.156 1.687 0.266) 2.750 1.925 ( 0.623 2.650 -2.412) 3.637 2.071 ( 3.970 3.903 1.379) 5.736 2.432 ( -1.378 -0.538 3.415) 3.721 2.467 ( -2.755 -0.305 -0.132) 2.775 2.619 ( 2.836 -5.476 -1.540) 6.356 2.668 ( -0.467 -2.309 -0.077) 2.357 2.797 ( 2.001 -1.049 4.966) 5.456 2.855 ( 0.541 -1.389 0.328) 1.527 2.903 ( -0.411 2.034 -0.148) 2.081 2.951 ( 1.498 0.747 -0.926) 1.913 3.145 ( -0.599 4.858 -2.044) 5.304 3.265 ( -4.054 4.119 -1.905) 6.085 3.467 ( 4.988 -0.196 -1.167) 5.126 3.609 ( -1.976 2.044 1.876) 3.406 3.658 ( -1.862 0.673 2.792) 3.422 3.776 ( 0.073 -0.448 2.613) 2.652 3.848 ( -2.837 2.154 3.925) 5.301 3.902 ( 1.792 3.120 -3.307) 4.887 4.071 ( 2.434 0.335 2.620) 3.592 4.218 ( 2.700 -1.892 -3.242) 4.624 4.259 ( -1.583 -1.823 -2.409) 3.411 4.273 ( 1.858 1.574 -4.332) 4.969 4.787 ( -0.031 -0.985 -2.104) 2.323 4.873 ( 0.729 0.880 -3.207) 3.404 4.905 ( 2.403 -0.449 -0.310) 2.464 5.029 ( -0.089 -2.768 1.135) 2.993 5.071 ( -0.433 1.693 6.605) 6.832 5.274 ( -0.633 -0.408 2.839) 2.937 5.324 ( 1.990 -0.415 -1.683) 2.640 5.392 ( -0.956 3.341 0.883) 3.586 5.510 ( -1.329 -2.020 -2.655) 3.591 5.558 ( -6.185 0.992 -1.575) 6.459 5.641 ( -5.679 0.559 2.149) 6.098 5.739 ( -5.596 -2.700 0.108) 6.214 5.915 ( -4.982 -0.387 1.009) 5.098 6.109 ( -1.465 3.250 2.871) 4.577 6.204 ( -1.426 -0.093 -3.497) 3.778 6.317 ( -1.202 0.191 -4.434) 4.598 6.477 ( -4.385 -1.597 -6.587) 8.072 6.603 ( -3.271 -0.966 -5.327) 6.325 6.857 ( 0.660 -1.000 6.702) 6.808 6.988 ( 4.632 1.598 1.066) 5.015 7.089 ( -0.415 -2.799 2.491) 3.769 7.172 ( 2.277 -1.953 2.151) 3.691 7.292 ( 2.177 2.161 2.054) 3.692 7.395 ( 1.877 0.528 -0.894) 2.145 10.381 ( -1.254 0.160 -0.629) 1.412 10.425 ( -1.285 -0.210 -1.735) 2.169 10.445 ( -0.155 -1.468 1.292) 1.962 10.474 ( -0.477 -0.535 0.559) 0.909 10.801 ( 1.876 3.128 -1.857) 4.093 10.861 ( 0.032 3.344 -2.531) 4.194 10.976 ( 3.296 -1.214 3.763) 5.148 11.160 ( 5.261 -1.195 4.771) 7.202 11.248 ( 0.074 -1.142 -3.408) 3.595 11.404 ( 3.310 -1.414 0.289) 3.611 11.472 ( -0.884 -1.302 -0.448) 1.636 11.569 ( -1.222 2.680 -0.876) 3.072 11.605 ( -1.144 -3.018 2.588) 4.137 11.706 ( 0.803 -0.489 0.615) 1.124 11.821 ( -4.456 2.081 -0.728) 4.972 11.922 ( -2.685 -0.623 -1.032) 2.943======================= Grid point 80 (44/54) =======================q-point: ( 0.43 0.20 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.657 ( -1.131 -1.516 -0.764) 2.040 0.763 ( 0.362 1.528 -1.887) 2.455 0.822 ( -0.778 3.009 -7.036) 7.692 0.880 ( 1.365 1.796 -0.682) 2.356 0.909 ( -2.854 1.918 -4.035) 5.302 0.955 ( -3.613 4.166 -4.443) 7.082 1.057 ( 0.451 -1.799 0.935) 2.077 1.112 ( -2.132 -1.147 0.157) 2.426 1.165 ( 0.633 0.414 -0.333) 0.827 1.182 ( 0.037 1.179 -1.653) 2.031 1.264 ( -0.160 0.870 3.335) 3.450 1.319 ( 0.613 -1.345 -0.604) 1.596 1.388 ( 0.339 0.464 -1.063) 1.208 1.422 ( -0.486 1.274 0.019) 1.364 1.508 ( 0.876 -1.191 3.155) 3.484 1.535 ( -3.281 0.616 2.334) 4.073 1.622 ( 2.101 -5.072 -0.300) 5.498 1.640 ( 0.999 -5.326 1.648) 5.664 1.723 ( -1.244 0.559 4.146) 4.364 1.811 ( 1.247 -0.240 -0.676) 1.439 1.878 ( 1.892 1.425 0.472) 2.415 1.911 ( 1.627 2.061 -4.952) 5.605 1.979 ( 4.185 -2.708 0.917) 5.069 2.134 ( 1.378 1.949 -0.182) 2.394 2.404 ( -0.424 -2.995 0.659) 3.096 2.463 ( -1.520 1.388 2.085) 2.929 2.645 ( -1.506 -1.971 0.128) 2.484 2.656 ( 2.321 -4.617 -2.541) 5.758 2.842 ( -0.676 -0.107 1.732) 1.862 2.870 ( -1.845 2.883 4.688) 5.804 2.901 ( 2.062 1.417 -0.862) 2.646 2.961 ( 0.224 2.215 0.908) 2.404 3.142 ( -2.585 5.490 1.331) 6.213 3.199 ( 2.461 4.484 -5.323) 7.382 3.531 ( -6.194 -0.729 3.599) 7.201 3.545 ( 4.576 -1.720 -2.877) 5.673 3.678 ( -0.286 2.091 3.895) 4.430 3.780 ( -1.892 -1.277 1.094) 2.531 3.850 ( 0.007 -0.342 3.190) 3.208 3.915 ( 2.609 2.883 -3.181) 5.024 4.105 ( -0.002 -2.049 0.543) 2.119 4.176 ( -2.003 -1.373 -3.421) 4.195 4.250 ( 1.318 -1.038 -2.350) 2.888 4.279 ( 0.811 1.494 -3.062) 3.503 4.767 ( -1.972 1.880 2.565) 3.741 4.865 ( 1.487 2.045 -4.273) 4.965 4.933 ( 1.315 -0.418 0.389) 1.434 4.998 ( -1.047 -1.424 -2.318) 2.915 5.151 ( 1.308 0.309 7.697) 7.813 5.279 ( -0.904 1.770 1.116) 2.279 5.353 ( 1.984 -0.417 -0.176) 2.035 5.390 ( 0.131 1.408 0.470) 1.490 5.448 ( -2.658 0.309 -0.972) 2.847 5.495 ( 0.231 0.235 -3.728) 3.742 5.575 ( -3.031 1.178 1.381) 3.533 5.637 ( -3.840 -1.621 -1.626) 4.474 5.888 ( -0.160 -5.138 4.458) 6.804 6.082 ( -2.256 -1.687 -1.263) 3.088 6.157 ( -2.220 0.356 -1.360) 2.628 6.270 ( 1.880 2.308 -7.310) 7.893 6.390 ( -0.465 2.596 -1.754) 3.167 6.503 ( -2.815 1.751 -4.926) 5.937 6.931 ( 1.255 -2.972 6.146) 6.941 7.070 ( 0.693 -2.548 -1.929) 3.271 7.092 ( 1.191 0.956 5.111) 5.334 7.206 ( 0.224 0.783 -0.126) 0.824 7.340 ( 0.336 0.458 3.394) 3.442 7.409 ( 0.707 0.240 -1.124) 1.349 10.363 ( -0.475 0.676 0.102) 0.832 10.389 ( -1.012 0.149 -1.279) 1.637 10.457 ( 0.612 -1.738 0.589) 1.935 10.468 ( -0.469 -1.225 0.274) 1.340 10.814 ( 0.496 2.919 -0.635) 3.029 10.843 ( 0.252 3.571 -2.296) 4.253 11.059 ( 2.111 -2.626 3.821) 5.094 11.202 ( -0.505 -6.075 -4.268) 7.442 11.301 ( 3.334 2.317 6.404) 7.582 11.432 ( 0.622 -1.269 -1.437) 2.016 11.486 ( 1.024 0.314 1.045) 1.497 11.532 ( -0.446 1.915 -2.138) 2.904 11.609 ( -1.014 -1.454 2.875) 3.378 11.705 ( -1.637 2.309 -1.935) 3.428 11.770 ( 0.290 -0.943 1.153) 1.518 11.860 ( -2.662 -0.353 -1.754) 3.207======================= Grid point 81 (45/54) =======================q-point: (-0.43 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.635 ( -3.151 3.692 7.134) 8.628 0.692 ( -3.795 5.331 -4.309) 7.835 0.813 ( -1.001 2.633 -3.714) 4.661 0.861 ( 5.475 0.758 0.442) 5.545 0.887 ( 0.004 2.664 -1.956) 3.305 0.936 ( 3.712 4.062 -1.762) 5.778 1.080 ( -0.801 -2.643 -1.281) 3.045 1.096 ( 2.435 -2.037 1.261) 3.416 1.159 ( -1.685 -0.007 0.026) 1.685 1.166 ( -0.328 0.855 -0.120) 0.924 1.268 ( -1.730 1.046 1.617) 2.589 1.335 ( 2.898 0.972 -1.516) 3.412 1.390 ( -1.286 0.095 -1.135) 1.718 1.422 ( 2.275 1.408 -0.044) 2.676 1.513 ( -1.435 0.034 2.280) 2.694 1.565 ( 2.265 -1.176 2.027) 3.259 1.629 ( -1.815 -3.954 -0.870) 4.437 1.654 ( 0.527 -4.486 -1.253) 4.688 1.694 ( -5.137 2.274 7.154) 9.096 1.819 ( -2.529 -1.700 -2.947) 4.239 1.878 ( 1.187 0.927 -0.707) 1.664 1.900 ( 1.963 1.790 -2.422) 3.595 2.035 ( -4.639 -1.725 -0.468) 4.971 2.140 ( 5.131 -3.942 -2.626) 6.983 2.416 ( -3.200 1.064 -0.459) 3.403 2.464 ( 3.593 -1.643 1.964) 4.412 2.600 ( -3.893 -1.699 2.208) 4.787 2.665 ( 0.639 -3.158 -2.105) 3.849 2.838 ( -1.672 1.515 2.720) 3.534 2.867 ( -0.658 2.987 1.199) 3.285 2.939 ( -0.408 1.755 2.222) 2.861 2.973 ( 2.616 2.326 -2.214) 4.142 3.109 ( -1.628 5.079 1.517) 5.545 3.223 ( 4.019 3.759 -5.065) 7.480 3.447 ( -5.760 -0.250 4.593) 7.372 3.609 ( 4.328 -2.707 -2.556) 5.709 3.692 ( -2.697 1.390 4.867) 5.736 3.770 ( 1.505 -1.658 -0.647) 2.331 3.867 ( -1.357 -2.093 2.804) 3.753 3.926 ( 0.623 1.224 -3.520) 3.779 4.090 ( -1.058 -1.206 1.810) 2.419 4.156 ( 2.106 -1.607 -2.400) 3.574 4.224 ( -3.006 -0.537 -0.000) 3.053 4.247 ( -2.000 0.385 -1.088) 2.309 4.763 ( -1.853 3.902 4.609) 6.317 4.845 ( 0.125 3.459 -3.971) 5.268 4.957 ( -1.316 0.557 -1.652) 2.184 4.976 ( 2.862 -1.344 -0.123) 3.164 5.227 ( 0.876 0.514 5.299) 5.396 5.266 ( -0.240 0.917 -2.264) 2.455 5.379 ( 0.307 0.387 -1.819) 1.885 5.402 ( 1.686 -0.504 -1.360) 2.225 5.423 ( 0.292 0.820 2.386) 2.540 5.477 ( 1.507 1.604 -3.669) 4.279 5.587 ( 3.115 -0.961 3.143) 4.528 5.605 ( 2.122 0.091 -1.161) 2.421 5.957 ( 1.138 -6.905 5.723) 9.041 6.015 ( -0.512 -8.193 -5.170) 9.701 6.117 ( -2.814 4.786 4.810) 7.346 6.256 ( 3.209 2.797 -7.757) 8.848 6.402 ( -0.909 3.696 0.748) 3.879 6.440 ( 1.204 3.561 -1.378) 4.004 6.996 ( 0.250 -3.481 4.530) 5.718 7.036 ( -0.549 -3.468 -3.059) 4.657 7.160 ( 0.650 1.698 3.247) 3.721 7.183 ( -0.689 2.229 -2.556) 3.461 7.359 ( -1.306 -0.015 3.202) 3.458 7.401 ( -0.404 -0.325 -1.740) 1.816 10.360 ( -0.507 0.369 0.683) 0.927 10.375 ( 0.396 0.794 -0.273) 0.928 10.464 ( 0.081 -1.883 -0.258) 1.902 10.475 ( 1.190 -1.466 -0.216) 1.901 10.804 ( -1.362 3.224 0.394) 3.522 10.834 ( 0.464 3.231 -1.538) 3.608 11.111 ( -0.312 -3.234 3.331) 4.653 11.146 ( -1.335 -5.990 -3.475) 7.053 11.365 ( -1.904 0.944 2.901) 3.596 11.433 ( 1.121 -0.700 -2.319) 2.669 11.489 ( -0.935 2.855 0.558) 3.056 11.510 ( -0.256 0.482 -1.488) 1.585 11.644 ( 1.915 1.718 3.312) 4.193 11.667 ( 0.918 0.355 -2.250) 2.456 11.789 ( -1.931 -1.169 0.295) 2.277 11.827 ( 2.151 -1.124 0.469) 2.472======================= Grid point 82 (46/54) =======================q-point: (-0.29 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( -5.178 5.009 4.378) 8.431 0.708 ( 0.046 5.181 10.332) 11.558 0.791 ( 0.980 2.734 -3.557) 4.592 0.870 ( -0.315 -0.810 -1.509) 1.742 0.959 ( 0.487 1.878 -1.157) 2.259 0.983 ( 2.864 1.089 1.961) 3.638 1.062 ( -0.563 -3.662 0.395) 3.726 1.095 ( -0.837 1.597 0.213) 1.815 1.178 ( 0.936 -1.138 1.066) 1.819 1.194 ( 4.076 -1.210 2.467) 4.916 1.262 ( -0.276 -0.973 0.994) 1.418 1.336 ( 0.133 1.450 -1.832) 2.340 1.404 ( 0.827 0.432 0.233) 0.962 1.430 ( -0.923 2.348 -1.480) 2.925 1.510 ( -0.593 1.945 0.850) 2.204 1.539 ( -4.925 -2.416 1.689) 5.740 1.625 ( 2.431 -0.437 -2.199) 3.307 1.637 ( -0.261 -2.029 -4.523) 4.964 1.677 ( -3.912 1.533 7.238) 8.370 1.733 ( -1.430 -0.589 -1.761) 2.344 1.854 ( -3.832 -0.369 -4.984) 6.297 1.920 ( 0.733 0.638 -0.249) 1.003 1.938 ( -1.204 -1.735 -1.116) 2.389 2.153 ( -1.558 -1.400 -5.511) 5.895 2.390 ( 0.257 -0.738 4.325) 4.396 2.503 ( -1.167 -2.712 -0.486) 2.992 2.571 ( -1.552 -1.832 2.215) 3.267 2.658 ( 0.111 -2.430 0.381) 2.462 2.829 ( -1.794 1.092 2.733) 3.446 2.861 ( -1.196 1.977 -1.258) 2.631 2.926 ( -2.132 2.181 2.085) 3.694 2.976 ( 1.508 1.578 -6.134) 6.511 3.120 ( 1.805 3.798 0.952) 4.312 3.263 ( 3.662 1.209 -2.555) 4.626 3.406 ( -2.922 1.331 3.737) 4.927 3.633 ( -1.468 1.641 -0.416) 2.241 3.700 ( 1.514 -2.360 2.191) 3.558 3.805 ( 0.368 -2.425 3.028) 3.897 3.846 ( -2.783 -2.035 -1.880) 3.927 3.902 ( 2.007 0.280 -0.192) 2.035 4.126 ( -0.774 -2.225 3.810) 4.480 4.135 ( -1.197 1.128 -2.052) 2.630 4.168 ( -4.846 1.958 2.255) 5.692 4.221 ( 1.010 -2.340 1.108) 2.779 4.762 ( -3.166 3.854 3.282) 5.971 4.813 ( -0.568 3.018 -0.450) 3.104 4.923 ( -0.459 1.580 -1.690) 2.358 5.038 ( 3.853 -1.588 -0.825) 4.249 5.226 ( -0.147 -0.901 -6.188) 6.255 5.268 ( -0.460 0.144 3.211) 3.247 5.350 ( -2.727 -1.264 -2.806) 4.112 5.392 ( 2.567 3.332 -0.645) 4.255 5.493 ( 2.224 -0.066 -0.468) 2.273 5.529 ( 5.951 -0.207 1.209) 6.076 5.674 ( 5.541 -0.679 -1.008) 5.673 5.720 ( 7.558 -3.251 2.192) 8.515 5.946 ( 1.459 -4.233 -2.015) 4.910 6.086 ( 3.827 -6.029 5.230) 8.851 6.153 ( 1.124 3.475 6.045) 7.062 6.251 ( 2.561 3.592 -4.098) 6.021 6.389 ( 1.277 3.482 0.930) 3.823 6.504 ( 2.898 2.163 4.007) 5.397 6.963 ( -3.147 -1.590 -2.743) 4.467 7.021 ( -1.939 -1.780 -1.727) 3.148 7.136 ( 0.546 0.726 -2.714) 2.862 7.192 ( -0.590 1.231 1.026) 1.708 7.341 ( -2.837 -0.464 0.099) 2.876 7.362 ( -2.749 -0.363 0.071) 2.773 10.362 ( 0.135 0.260 0.942) 0.987 10.392 ( 0.806 0.871 1.249) 1.723 10.467 ( 0.629 -2.123 -0.830) 2.365 10.493 ( 1.229 -1.050 -0.983) 1.892 10.778 ( -1.607 3.318 0.421) 3.711 10.830 ( -0.327 2.876 0.267) 2.907 11.053 ( -3.440 -4.338 -3.449) 6.523 11.147 ( -1.447 -4.808 3.843) 6.323 11.294 ( -3.957 3.360 -4.807) 7.075 11.400 ( -1.886 -0.081 -1.146) 2.208 11.474 ( -1.755 1.342 0.472) 2.259 11.529 ( 2.298 1.455 1.363) 3.042 11.675 ( 2.156 -1.290 -2.630) 3.637 11.716 ( 0.254 0.214 -0.178) 0.377 11.784 ( 3.408 -0.351 2.982) 4.542 11.888 ( 2.460 -1.237 2.114) 3.471======================= Grid point 83 (47/54) =======================q-point: (-0.14 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( -6.905 1.190 8.750) 11.210 0.711 ( -8.006 4.792 9.271) 13.153 0.759 ( 1.121 2.222 -8.229) 8.597 0.874 ( 0.925 -2.503 3.172) 4.145 0.953 ( 0.992 -0.947 2.190) 2.584 1.015 ( 1.383 -1.168 0.419) 1.858 1.101 ( 0.248 -1.884 1.879) 2.673 1.117 ( 0.455 1.780 2.856) 3.396 1.203 ( 0.596 -2.445 1.092) 2.743 1.235 ( -1.553 -3.255 1.395) 3.867 1.273 ( 0.013 -4.727 0.623) 4.768 1.354 ( 1.922 5.590 0.038) 5.912 1.372 ( -3.319 2.870 2.861) 5.238 1.383 ( -1.495 0.437 -2.365) 2.832 1.503 ( 1.566 -0.193 -3.487) 3.828 1.515 ( 0.664 0.929 0.894) 1.450 1.595 ( 0.431 0.024 -5.996) 6.012 1.612 ( -2.180 0.228 -1.906) 2.905 1.666 ( -2.878 2.799 5.675) 6.952 1.729 ( 1.893 -0.617 -1.119) 2.284 1.797 ( 3.070 -0.593 -3.493) 4.688 1.867 ( -4.108 -3.165 -0.450) 5.205 1.945 ( -0.642 1.511 0.344) 1.677 2.058 ( -2.087 0.383 -6.194) 6.547 2.452 ( -0.900 -2.529 3.088) 4.092 2.470 ( -0.063 -1.515 3.644) 3.947 2.548 ( -1.781 0.137 1.117) 2.107 2.672 ( 0.056 -1.895 0.930) 2.112 2.790 ( -2.856 0.756 -2.973) 4.191 2.815 ( -1.061 0.215 -0.219) 1.104 2.920 ( -0.199 -0.419 -0.089) 0.472 2.945 ( 0.051 -0.730 -4.072) 4.137 3.191 ( 4.761 2.399 1.628) 5.574 3.301 ( 1.607 -0.619 0.427) 1.774 3.386 ( -1.239 4.815 0.697) 5.021 3.578 ( -4.194 5.265 -0.564) 6.754 3.730 ( 1.156 -2.009 -1.702) 2.876 3.772 ( -2.628 -0.776 -0.997) 2.916 3.826 ( -1.359 -1.762 3.480) 4.130 3.977 ( 2.987 0.264 1.016) 3.166 4.068 ( -3.385 2.165 1.162) 4.183 4.075 ( -4.581 1.882 3.167) 5.879 4.206 ( 5.022 -2.963 0.873) 5.896 4.275 ( 1.328 -4.325 4.012) 6.047 4.715 ( -2.706 -0.075 1.520) 3.104 4.808 ( -2.129 4.137 3.570) 5.865 4.916 ( 1.528 0.261 -2.964) 3.345 5.045 ( -2.152 -2.530 -4.786) 5.826 5.189 ( 2.867 -0.155 -6.114) 6.754 5.256 ( -3.266 0.543 0.887) 3.428 5.298 ( -0.009 -1.450 0.297) 1.480 5.430 ( 0.209 4.009 -2.555) 4.758 5.522 ( 3.336 -1.050 1.593) 3.844 5.660 ( 5.628 -0.729 3.237) 6.533 5.757 ( 3.667 -1.043 -1.843) 4.234 5.853 ( 5.562 -3.568 -1.034) 6.688 6.015 ( 4.676 0.367 0.875) 4.771 6.171 ( 0.168 2.431 1.144) 2.692 6.194 ( 3.092 -1.741 0.207) 3.555 6.326 ( 4.461 -1.282 2.651) 5.345 6.519 ( 8.843 1.097 4.939) 10.188 6.609 ( 4.573 -0.362 5.496) 7.159 6.852 ( -7.949 1.742 1.890) 8.355 6.950 ( -0.029 -0.552 -6.539) 6.562 7.107 ( -3.877 -1.581 -4.489) 6.138 7.174 ( 0.650 -1.459 -2.286) 2.789 7.255 ( -4.083 1.035 -1.129) 4.361 7.317 ( -3.757 0.246 2.492) 4.515 10.383 ( 0.820 0.158 2.018) 2.183 10.420 ( 0.631 0.552 1.908) 2.084 10.470 ( 0.549 -1.902 -1.288) 2.362 10.500 ( 0.700 -0.733 -1.676) 1.959 10.762 ( -0.245 2.991 0.594) 3.059 10.827 ( -0.984 2.491 1.298) 2.977 10.964 ( -2.678 -1.568 -2.695) 4.110 11.092 ( -5.803 -2.826 -1.702) 6.676 11.227 ( 0.207 3.423 0.176) 3.434 11.359 ( -1.830 -0.801 -0.861) 2.175 11.458 ( -0.798 -0.062 2.090) 2.238 11.588 ( 2.422 2.311 1.790) 3.796 11.661 ( -0.443 -2.344 -5.105) 5.635 11.701 ( -0.116 -0.252 -0.455) 0.533 11.904 ( 5.438 -1.690 1.391) 5.863 11.939 ( 0.981 -0.952 2.039) 2.455======================= Grid point 84 (48/54) =======================q-point: ( 0.00 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( -4.952 8.253 3.465) 10.229 0.718 ( 1.797 1.168 -8.128) 8.406 0.780 ( -2.069 -2.173 5.254) 6.050 0.849 ( 2.397 -5.195 0.095) 5.722 0.915 ( -0.731 -0.083 -2.205) 2.325 0.976 ( -0.041 -0.531 -4.632) 4.663 1.041 ( 0.514 -3.431 1.937) 3.974 1.068 ( -0.212 -4.394 -0.217) 4.405 1.153 ( -0.507 -0.255 5.024) 5.056 1.191 ( 0.148 -3.049 4.572) 5.497 1.247 ( 0.513 1.696 -0.533) 1.850 1.290 ( 0.499 -2.001 -2.765) 3.450 1.419 ( -0.810 3.442 -0.568) 3.581 1.471 ( 2.726 -0.844 -4.783) 5.569 1.487 ( -1.824 0.525 -0.367) 1.934 1.508 ( 1.497 -0.630 -2.143) 2.689 1.598 ( -0.689 2.119 -0.194) 2.237 1.613 ( -1.479 0.997 -1.678) 2.449 1.724 ( -5.223 2.009 5.177) 7.623 1.753 ( -4.136 -0.750 4.499) 6.157 1.837 ( 6.552 1.526 -4.226) 7.944 1.840 ( 5.092 1.468 -4.302) 6.825 1.985 ( 0.337 1.543 1.225) 1.999 2.003 ( -0.152 -0.517 -0.917) 1.064 2.442 ( 0.771 0.017 4.822) 4.883 2.460 ( 1.119 -1.470 5.513) 5.814 2.564 ( -0.591 0.798 -1.103) 1.484 2.610 ( -1.154 -2.810 -2.159) 3.727 2.747 ( -0.111 0.618 -3.456) 3.513 2.763 ( -0.818 -0.764 -4.979) 5.103 2.856 ( -0.871 -0.665 -0.632) 1.265 2.880 ( 1.846 -2.523 -3.030) 4.354 3.308 ( 1.476 0.697 2.512) 2.996 3.319 ( 0.444 -0.188 1.839) 1.901 3.530 ( 0.982 3.113 -0.711) 3.341 3.544 ( -2.465 1.632 -1.524) 3.326 3.771 ( -2.057 2.603 1.988) 3.868 3.784 ( 2.199 1.416 0.954) 2.784 3.905 ( 1.816 3.168 8.903) 9.623 3.965 ( -1.390 -1.529 5.514) 5.889 4.042 ( -8.069 2.157 7.806) 11.432 4.128 ( -1.996 -4.449 3.217) 5.842 4.195 ( 4.363 0.756 -3.619) 5.719 4.232 ( 5.751 -2.397 -4.184) 7.505 4.720 ( 1.389 1.621 -1.526) 2.624 4.789 ( -1.439 -3.171 -7.258) 8.050 4.878 ( -0.533 1.090 0.914) 1.519 4.920 ( 0.580 -1.952 -3.078) 3.690 5.239 ( -3.355 2.869 0.878) 4.501 5.261 ( 2.174 1.596 -0.503) 2.743 5.310 ( 0.882 -0.615 0.946) 1.432 5.359 ( -1.932 -3.024 -2.942) 4.640 5.684 ( 2.473 3.777 3.349) 5.621 5.749 ( -1.145 0.567 -1.663) 2.097 5.759 ( 1.225 0.382 3.031) 3.292 5.824 ( -0.339 -2.708 -2.223) 3.520 6.131 ( 0.211 2.620 2.606) 3.701 6.173 ( -1.445 -0.226 -1.087) 1.822 6.266 ( 0.966 1.729 6.165) 6.476 6.341 ( 3.537 -3.913 0.926) 5.355 6.603 ( 0.041 -0.070 -3.040) 3.041 6.647 ( -0.200 -3.621 -4.532) 5.804 6.789 ( -3.119 3.102 6.631) 7.957 6.877 ( -3.622 -4.489 1.571) 5.978 7.005 ( 1.903 2.967 -3.014) 4.638 7.079 ( -0.744 -3.298 -5.945) 6.840 7.277 ( 0.757 1.055 1.373) 1.890 7.289 ( 0.106 0.111 0.464) 0.489 10.415 ( 0.143 0.343 1.207) 1.263 10.431 ( -0.224 -1.089 -0.330) 1.160 10.454 ( 0.253 0.640 0.624) 0.929 10.472 ( -0.083 -0.906 -1.084) 1.415 10.855 ( 1.078 3.352 1.248) 3.735 10.876 ( -0.386 3.465 -0.569) 3.533 10.927 ( 0.249 -2.280 1.382) 2.678 10.951 ( -0.225 -2.767 -0.553) 2.831 11.289 ( -0.432 1.722 -0.158) 1.782 11.312 ( 0.755 -0.339 -2.258) 2.405 11.466 ( -0.671 0.792 0.890) 1.367 11.521 ( -1.607 -3.539 -4.008) 5.583 11.682 ( 0.530 1.465 1.437) 2.120 11.699 ( 0.060 -0.025 -0.140) 0.155 11.936 ( -0.132 -0.304 1.197) 1.242 11.941 ( 0.719 -0.890 0.865) 1.434======================= Grid point 85 (49/54) =======================q-point: ( 0.14 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( -0.175 3.620 7.444) 8.280 0.694 ( 0.268 -2.659 -2.014) 3.346 0.827 ( 3.385 -2.369 1.050) 4.263 0.866 ( 1.879 -1.932 0.362) 2.720 0.959 ( 3.130 -1.048 1.177) 3.505 0.982 ( 3.435 0.303 -1.789) 3.884 1.049 ( 0.254 -1.719 -1.198) 2.111 1.081 ( 1.513 -2.987 -0.237) 3.356 1.188 ( 0.428 -0.288 3.201) 3.242 1.209 ( -0.486 -1.815 -2.348) 3.007 1.248 ( -1.668 0.060 -2.245) 2.797 1.270 ( 1.993 -1.942 1.509) 3.166 1.396 ( -1.894 3.147 -0.436) 3.699 1.445 ( -2.261 0.779 0.995) 2.590 1.482 ( 2.408 -0.266 -3.812) 4.517 1.531 ( 0.619 -2.538 -1.960) 3.266 1.595 ( 0.310 2.041 1.397) 2.492 1.608 ( 1.057 0.449 2.104) 2.397 1.654 ( -5.564 2.232 5.040) 7.832 1.700 ( -4.143 -1.342 3.074) 5.330 1.886 ( 4.279 2.270 -5.951) 7.673 1.909 ( 4.952 0.758 -5.838) 7.693 2.024 ( 2.643 2.180 -0.728) 3.502 2.037 ( 4.265 0.907 0.482) 4.387 2.442 ( -2.295 0.571 0.076) 2.366 2.463 ( -2.377 -2.002 -0.619) 3.169 2.563 ( -1.584 -0.371 0.815) 1.820 2.597 ( 1.191 -2.241 2.079) 3.281 2.734 ( 1.320 0.579 0.335) 1.479 2.774 ( 2.162 -2.752 -0.234) 3.508 2.879 ( 4.419 1.146 -1.154) 4.709 2.912 ( 3.364 -1.432 -1.472) 3.942 3.290 ( -2.991 1.666 -1.160) 3.614 3.319 ( -0.840 -1.161 -0.739) 1.612 3.516 ( 0.437 5.159 0.408) 5.194 3.588 ( 2.746 -1.337 0.663) 3.125 3.747 ( -1.359 4.979 1.008) 5.259 3.803 ( -1.965 0.055 0.197) 1.976 3.895 ( -5.299 1.738 5.975) 8.173 3.956 ( -3.812 -2.587 2.706) 5.343 4.052 ( 2.831 3.991 2.729) 5.603 4.120 ( 1.375 -3.188 -1.690) 3.861 4.261 ( 5.352 1.579 -4.548) 7.199 4.292 ( 3.177 -1.456 -3.355) 4.844 4.738 ( 1.746 -0.948 -3.973) 4.442 4.767 ( 2.520 -3.005 2.340) 4.567 4.902 ( 2.132 1.354 0.272) 2.541 4.938 ( 2.919 -1.763 -1.323) 3.658 5.167 ( -4.326 4.394 2.357) 6.601 5.252 ( -3.575 -3.240 0.738) 4.881 5.316 ( 1.601 1.663 -0.492) 2.360 5.366 ( 1.222 -2.468 1.607) 3.189 5.658 ( -4.921 4.463 -3.576) 7.545 5.700 ( -3.428 1.803 1.560) 4.176 5.742 ( -5.538 -1.308 -2.449) 6.195 5.760 ( -3.810 -2.224 1.416) 4.633 6.070 ( -6.050 3.191 0.039) 6.840 6.141 ( -3.004 -2.080 0.655) 3.712 6.294 ( -0.922 3.420 -0.671) 3.605 6.358 ( 0.761 -0.938 -4.630) 4.785 6.531 ( -4.885 -2.371 -1.475) 5.627 6.560 ( -2.809 -4.960 3.080) 6.479 6.878 ( 1.751 4.363 6.726) 8.206 6.935 ( 4.592 -0.141 2.613) 5.285 6.996 ( 0.836 -1.189 -2.210) 2.645 7.027 ( -0.294 -4.402 -0.937) 4.511 7.308 ( 2.704 2.417 -0.352) 3.644 7.344 ( 3.725 -0.894 -0.283) 3.841 10.408 ( -1.419 -0.160 -0.167) 1.438 10.413 ( -0.965 -0.683 0.504) 1.285 10.461 ( -0.387 0.093 -0.716) 0.819 10.465 ( 0.105 -0.282 0.272) 0.406 10.875 ( 1.456 4.492 -1.553) 4.971 10.901 ( 2.629 1.583 0.678) 3.143 10.932 ( 0.137 -0.025 -0.443) 0.465 10.983 ( 3.142 -4.092 0.283) 5.167 11.282 ( -0.008 2.244 0.297) 2.263 11.325 ( 2.036 -0.900 -1.052) 2.462 11.471 ( -1.046 -1.012 -0.218) 1.472 11.488 ( 0.110 -2.573 3.414) 4.276 11.672 ( -1.739 1.548 -0.591) 2.402 11.694 ( -0.531 -0.323 -0.020) 0.622 11.919 ( -1.893 0.827 -0.312) 2.089 11.941 ( -1.025 -1.175 -0.439) 1.619======================= Grid point 86 (50/54) =======================q-point: ( 0.29 0.40 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.651 ( 0.099 2.218 4.783) 5.273 0.718 ( 1.367 -2.820 4.510) 5.492 0.883 ( 2.678 2.253 0.238) 3.508 0.944 ( 1.614 0.785 1.682) 2.459 0.994 ( 1.167 1.205 -1.930) 2.557 1.012 ( 3.100 -1.276 -3.202) 4.636 1.044 ( -0.696 -0.853 -2.648) 2.867 1.095 ( 0.836 -4.548 -0.310) 4.635 1.166 ( -1.520 -0.585 -1.734) 2.379 1.181 ( -0.706 -1.948 -1.127) 2.358 1.246 ( 1.311 3.884 1.142) 4.256 1.321 ( -2.440 0.704 1.052) 2.749 1.361 ( 1.922 -1.666 1.923) 3.189 1.416 ( -2.513 -2.995 2.204) 4.489 1.496 ( 0.779 0.426 -0.360) 0.958 1.523 ( 0.167 -0.999 0.650) 1.204 1.558 ( -2.347 2.683 -0.218) 3.571 1.609 ( -3.114 -1.215 0.718) 3.419 1.678 ( 0.921 1.504 5.539) 5.813 1.721 ( 2.812 -1.879 2.984) 4.510 1.895 ( 2.844 2.138 -6.630) 7.525 1.927 ( 3.012 -0.276 -5.530) 6.303 2.040 ( 0.770 5.418 -4.063) 6.816 2.119 ( 3.663 -0.459 -1.196) 3.881 2.392 ( -2.502 -0.993 -0.412) 2.723 2.448 ( 1.973 -4.506 0.248) 4.925 2.544 ( -1.628 1.997 2.306) 3.458 2.612 ( -1.138 -2.999 1.258) 3.446 2.792 ( 2.739 0.519 3.485) 4.463 2.817 ( 2.000 -1.647 1.905) 3.216 2.951 ( 1.852 1.875 0.537) 2.690 2.967 ( 3.570 0.429 -0.840) 3.693 3.242 ( -0.055 3.279 -1.278) 3.520 3.293 ( -0.424 -1.278 -2.035) 2.440 3.519 ( -0.288 3.905 -1.097) 4.066 3.587 ( -3.090 -2.031 0.048) 3.698 3.721 ( -3.031 2.748 2.400) 4.743 3.787 ( 0.004 -1.525 2.398) 2.842 3.848 ( -3.822 2.785 2.732) 5.462 3.943 ( 1.755 -2.429 -3.334) 4.483 4.096 ( 1.226 2.498 0.198) 2.790 4.159 ( 5.046 -2.788 -4.652) 7.408 4.265 ( -0.903 2.571 -4.188) 4.997 4.306 ( 2.209 -0.066 -4.736) 5.226 4.774 ( 2.230 0.504 1.185) 2.575 4.822 ( 0.885 -3.375 1.856) 3.952 4.929 ( 1.741 1.435 -1.012) 2.473 4.968 ( 0.227 -2.361 -0.221) 2.383 5.158 ( -0.210 4.873 5.324) 7.221 5.242 ( 0.928 -2.624 3.919) 4.806 5.337 ( 0.980 1.706 -0.280) 1.987 5.396 ( 0.245 -3.102 2.544) 4.019 5.544 ( -3.579 5.212 -3.525) 7.239 5.594 ( -6.418 2.204 -1.537) 6.958 5.632 ( -5.225 -1.557 0.058) 5.453 5.663 ( -5.540 -4.156 -1.430) 7.072 5.951 ( -5.557 3.427 -2.380) 6.949 6.057 ( -4.005 -5.789 -4.347) 8.273 6.272 ( 0.276 4.972 -1.867) 5.319 6.328 ( 0.235 0.065 -3.777) 3.785 6.471 ( -2.413 0.630 1.154) 2.748 6.533 ( -2.008 -4.483 0.570) 4.945 6.890 ( -1.479 4.136 2.080) 4.860 6.997 ( 0.155 -4.114 -1.723) 4.463 7.043 ( 2.895 1.668 6.283) 7.117 7.104 ( 4.099 -3.369 5.093) 7.355 7.351 ( 1.937 2.527 -0.426) 3.213 7.391 ( 1.930 -1.035 -1.085) 2.444 10.386 ( -0.712 0.372 -0.137) 0.815 10.402 ( -0.449 -1.176 0.222) 1.278 10.441 ( -1.171 0.639 -0.472) 1.416 10.458 ( -0.887 -0.828 -0.064) 1.215 10.892 ( 1.672 4.872 -1.770) 5.446 10.928 ( 0.377 2.239 -1.611) 2.784 10.958 ( 2.704 -0.415 0.878) 2.873 11.040 ( 2.389 -6.667 -0.366) 7.091 11.305 ( 1.760 3.463 1.675) 4.230 11.365 ( 2.679 -2.136 -0.127) 3.428 11.466 ( -0.376 1.124 2.152) 2.457 11.524 ( -0.541 -3.731 4.342) 5.750 11.632 ( -1.433 2.709 -0.743) 3.153 11.682 ( -0.423 -1.765 0.096) 1.818 11.866 ( -2.660 1.890 -2.069) 3.864 11.901 ( -2.119 -1.282 -1.798) 3.060======================= Grid point 87 (51/54) =======================q-point: ( 0.43 0.40 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.704 ( 1.089 4.927 5.689) 7.605 0.785 ( 1.549 -1.043 4.456) 4.832 0.892 ( -0.512 3.840 -4.173) 5.694 0.944 ( -0.929 3.370 -0.463) 3.526 0.966 ( -1.301 -0.655 -3.491) 3.783 1.009 ( 2.319 3.928 -1.620) 4.841 1.037 ( -0.898 -3.963 -1.026) 4.191 1.083 ( -3.785 3.458 -1.072) 5.238 1.141 ( 0.494 -3.536 0.995) 3.707 1.167 ( 0.690 -2.994 -1.791) 3.557 1.261 ( 1.866 1.298 -0.001) 2.273 1.337 ( 1.612 -3.048 1.393) 3.719 1.358 ( -2.535 1.868 0.910) 3.278 1.429 ( 0.336 -1.982 0.715) 2.134 1.504 ( -0.161 1.249 3.292) 3.524 1.542 ( 0.237 -1.569 1.771) 2.378 1.547 ( -0.476 -0.512 0.544) 0.886 1.564 ( -0.938 -0.583 0.542) 1.230 1.734 ( 1.086 0.894 3.046) 3.355 1.776 ( 0.759 -2.524 1.463) 3.014 1.903 ( 1.943 1.983 -2.056) 3.454 1.941 ( 2.715 -1.322 -2.153) 3.709 1.993 ( -0.247 4.774 -6.659) 8.198 2.109 ( -1.403 -4.539 -5.943) 7.608 2.397 ( 1.718 3.317 3.733) 5.281 2.500 ( 1.279 -1.316 0.715) 1.969 2.540 ( -0.091 -2.110 1.673) 2.694 2.592 ( -1.669 -2.945 0.140) 3.388 2.859 ( 1.412 1.441 3.059) 3.664 2.890 ( 3.091 -1.005 2.901) 4.357 2.961 ( -0.877 3.296 0.630) 3.468 2.997 ( 0.268 0.328 0.145) 0.448 3.257 ( -0.495 3.738 0.544) 3.810 3.273 ( 1.557 1.856 -2.198) 3.271 3.501 ( -0.009 -1.366 -2.497) 2.846 3.509 ( -4.144 -1.191 0.158) 4.315 3.711 ( -0.724 1.712 3.061) 3.581 3.776 ( -2.709 -2.771 1.985) 4.354 3.834 ( -0.452 3.026 1.535) 3.423 3.933 ( 0.254 -3.427 -4.116) 5.362 4.111 ( 0.489 3.982 -0.239) 4.019 4.199 ( 0.965 1.483 -5.278) 5.566 4.207 ( 1.173 -1.476 -2.841) 3.410 4.274 ( -1.206 -2.245 -4.233) 4.941 4.805 ( -0.057 1.700 3.046) 3.489 4.848 ( 1.622 -2.064 -0.078) 2.626 4.959 ( 1.408 1.165 -0.105) 1.830 4.974 ( 1.147 -0.641 -0.571) 1.433 5.217 ( 0.157 4.968 7.026) 8.607 5.309 ( 1.031 -2.198 5.377) 5.899 5.355 ( 1.833 2.862 -1.455) 3.697 5.415 ( -0.420 -1.524 1.889) 2.463 5.468 ( -2.934 3.394 -2.834) 5.306 5.498 ( -0.423 1.100 -3.168) 3.380 5.555 ( -3.317 -2.830 0.910) 4.454 5.581 ( -1.632 -3.610 -1.556) 4.257 5.847 ( -2.917 1.719 -2.258) 4.070 5.943 ( -2.916 -6.680 -6.774) 9.950 6.259 ( -0.972 4.785 -0.377) 4.898 6.305 ( 0.907 0.333 -4.128) 4.240 6.458 ( -0.343 2.643 1.902) 3.274 6.507 ( -1.009 -1.343 -0.177) 1.689 6.900 ( 0.141 1.188 2.769) 3.016 6.977 ( -0.703 -4.810 -1.170) 5.000 7.140 ( 1.900 2.471 5.225) 6.084 7.190 ( 1.104 -1.912 3.738) 4.341 7.369 ( 0.486 1.782 -0.266) 1.866 7.401 ( 0.592 -1.009 -1.522) 1.920 10.381 ( 0.136 0.903 0.139) 0.924 10.395 ( -0.708 0.087 -0.107) 0.721 10.424 ( 0.123 -0.684 -0.148) 0.710 10.438 ( -0.978 -1.347 -0.262) 1.685 10.898 ( 0.040 4.309 -0.567) 4.346 10.919 ( 0.468 2.782 -2.015) 3.467 11.009 ( 1.878 -1.745 0.771) 2.677 11.054 ( -0.178 -6.101 -0.902) 6.170 11.366 ( 2.207 2.582 2.768) 4.381 11.407 ( 1.436 -1.275 0.310) 1.945 11.486 ( 0.477 0.578 1.808) 1.957 11.523 ( -1.563 -2.229 0.565) 2.780 11.630 ( 0.622 2.964 2.553) 3.961 11.696 ( 0.995 -2.603 2.135) 3.511 11.794 ( -2.369 2.445 -3.556) 4.923 11.840 ( -2.133 -1.537 -3.199) 4.141======================= Grid point 88 (52/54) =======================q-point: (-0.43 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( -0.524 7.089 7.424) 10.278 0.829 ( -1.939 6.019 -5.742) 8.541 0.867 ( 3.486 -1.121 3.533) 5.089 0.876 ( -0.029 2.067 -3.713) 4.250 0.951 ( -3.813 0.766 0.834) 3.978 1.001 ( 1.077 -3.520 0.154) 3.684 1.015 ( -1.141 2.480 -1.171) 2.971 1.094 ( 5.200 4.731 -1.884) 7.278 1.119 ( -3.096 -3.629 1.386) 4.967 1.178 ( 0.933 -1.351 -1.690) 2.357 1.279 ( -2.638 0.246 -1.323) 2.961 1.322 ( 3.467 -2.909 1.190) 4.680 1.401 ( -1.411 0.711 -1.907) 2.477 1.416 ( 2.621 -1.072 1.974) 3.452 1.535 ( -0.038 0.947 1.877) 2.103 1.543 ( -0.927 0.034 1.701) 1.937 1.567 ( 1.561 -2.158 0.170) 2.669 1.571 ( 1.374 -0.810 -0.549) 1.687 1.751 ( -2.016 1.961 2.560) 3.803 1.780 ( -1.057 -1.439 -0.899) 1.999 1.899 ( -0.843 1.789 -0.473) 2.034 1.945 ( 0.170 0.801 -3.553) 3.646 1.980 ( -1.068 -1.502 -2.100) 2.794 2.042 ( 3.299 -4.488 -3.622) 6.644 2.463 ( -3.251 2.897 -1.691) 4.672 2.476 ( 1.662 2.448 2.769) 4.053 2.547 ( -2.962 -2.641 0.578) 4.010 2.578 ( 1.365 -4.350 1.310) 4.744 2.889 ( -0.648 2.673 1.307) 3.045 2.930 ( 0.283 0.226 -3.014) 3.036 2.962 ( -0.102 1.946 3.727) 4.206 2.998 ( 0.777 -0.303 -1.001) 1.303 3.223 ( -3.269 4.784 1.693) 6.036 3.286 ( -0.147 0.159 -1.493) 1.509 3.445 ( -1.756 1.525 2.418) 3.355 3.521 ( 2.751 -4.564 -0.687) 5.373 3.734 ( -0.727 1.772 3.986) 4.422 3.756 ( 0.044 0.142 0.290) 0.325 3.828 ( -2.954 -0.395 4.254) 5.194 3.884 ( -2.272 -4.097 -2.497) 5.309 4.109 ( -0.800 2.579 0.756) 2.804 4.177 ( 1.336 2.721 -2.515) 3.939 4.183 ( -2.256 -2.704 -1.673) 3.898 4.237 ( 0.197 -1.571 -1.909) 2.480 4.834 ( 1.047 2.662 1.015) 3.035 4.880 ( 2.851 -1.140 -3.112) 4.372 4.974 ( 0.413 0.964 -0.613) 1.215 4.975 ( 0.043 0.691 -1.505) 1.657 5.261 ( -1.953 2.926 5.935) 6.899 5.341 ( -1.350 -2.250 -1.419) 2.983 5.358 ( -1.297 4.445 3.179) 5.617 5.416 ( 1.740 1.966 -1.982) 3.290 5.458 ( 3.235 2.443 0.539) 4.090 5.488 ( 2.194 -0.239 -4.361) 4.888 5.536 ( 0.234 -3.662 2.419) 4.395 5.573 ( 1.582 -3.631 -0.659) 4.015 5.837 ( 2.025 -2.592 2.499) 4.131 5.862 ( -0.030 -4.446 -3.968) 5.959 6.239 ( -1.322 4.649 1.544) 5.074 6.292 ( 1.035 -0.165 -3.305) 3.467 6.474 ( -0.272 2.771 1.396) 3.115 6.497 ( 0.673 1.217 -0.164) 1.400 6.933 ( 0.691 -1.412 2.409) 2.876 6.957 ( 0.208 -3.190 -2.038) 3.792 7.194 ( 0.017 1.302 3.046) 3.313 7.210 ( -0.376 0.120 0.195) 0.440 7.366 ( -1.007 0.742 0.690) 1.429 7.387 ( -0.749 -0.935 -1.753) 2.123 10.376 ( -0.784 1.132 0.414) 1.438 10.393 ( 0.439 0.438 0.186) 0.647 10.425 ( 0.144 -1.067 -0.423) 1.157 10.440 ( 1.414 -1.567 -0.232) 2.123 10.887 ( -1.124 4.008 0.459) 4.188 10.912 ( 0.260 3.049 -1.358) 3.349 11.024 ( -2.087 -4.135 -0.740) 4.691 11.034 ( 0.012 -3.682 0.911) 3.793 11.393 ( -1.739 1.356 0.645) 2.297 11.417 ( -0.376 -0.790 -0.185) 0.894 11.506 ( 0.538 -0.143 -0.341) 0.653 11.514 ( 1.569 -0.406 0.462) 1.685 11.685 ( 0.942 2.294 3.027) 3.913 11.712 ( 0.107 2.020 -2.145) 2.948 11.756 ( -0.628 -1.120 0.790) 1.508 11.790 ( 1.104 -2.282 -1.490) 2.940======================= Grid point 89 (53/54) =======================q-point: (-0.29 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( -1.113 7.752 -4.781) 9.175 0.829 ( 0.147 3.455 1.791) 3.894 0.846 ( 0.596 2.814 0.475) 2.915 0.890 ( -2.773 3.432 -0.193) 4.416 0.966 ( 1.537 -3.648 4.097) 5.697 0.977 ( -4.051 -1.474 0.302) 4.322 0.988 ( -0.551 -0.088 -0.963) 1.113 1.078 ( -1.850 -5.406 1.828) 5.999 1.159 ( 1.273 0.387 -1.034) 1.685 1.170 ( -0.263 -1.036 -0.447) 1.159 1.257 ( 0.102 3.202 0.082) 3.205 1.353 ( 0.341 -2.928 -0.963) 3.101 1.396 ( 0.618 1.171 -0.760) 1.526 1.461 ( 1.690 -3.447 -0.767) 3.915 1.513 ( -0.543 2.792 -0.948) 2.998 1.550 ( 0.232 0.911 -0.201) 0.961 1.593 ( 3.507 0.025 -3.073) 4.663 1.620 ( 3.238 -0.375 -0.533) 3.303 1.728 ( -2.351 1.430 3.176) 4.203 1.732 ( -2.112 0.516 -0.809) 2.320 1.849 ( -2.992 0.501 -3.929) 4.964 1.879 ( -3.365 -1.877 -0.389) 3.873 1.983 ( 1.530 3.895 0.214) 4.190 2.092 ( 0.439 -4.747 0.429) 4.786 2.381 ( -2.993 1.005 0.049) 3.158 2.440 ( -4.762 -3.438 0.960) 5.951 2.555 ( 0.851 1.269 1.087) 1.875 2.604 ( 0.583 -2.560 1.492) 3.020 2.861 ( -1.582 1.972 -2.038) 3.248 2.899 ( 0.349 -0.425 -5.151) 5.180 2.959 ( -3.011 2.032 0.611) 3.683 2.993 ( -0.410 -0.296 -3.035) 3.076 3.198 ( -0.919 3.236 3.174) 4.625 3.256 ( -1.169 -1.914 0.512) 2.300 3.487 ( 2.624 4.868 2.422) 6.037 3.582 ( 3.181 -3.926 1.119) 5.175 3.741 ( -0.839 3.457 2.695) 4.462 3.770 ( -2.488 -0.050 5.931) 6.432 3.800 ( -4.537 -1.764 3.564) 6.033 3.841 ( -0.490 -4.557 2.425) 5.185 4.097 ( -1.189 0.804 0.715) 1.604 4.149 ( 0.323 -3.344 0.079) 3.361 4.194 ( 0.092 2.328 -0.118) 2.333 4.211 ( -2.471 0.865 1.216) 2.887 4.844 ( -2.060 3.135 -3.996) 5.481 4.868 ( 1.951 1.312 -2.488) 3.423 4.948 ( -1.263 0.861 -2.885) 3.265 4.989 ( 2.152 -2.621 -1.817) 3.847 5.237 ( -2.422 1.622 0.050) 2.915 5.293 ( -2.888 -2.932 -0.713) 4.177 5.338 ( -1.056 5.634 -0.407) 5.746 5.447 ( 1.816 -1.907 -1.629) 3.096 5.501 ( 2.662 3.526 -0.898) 4.508 5.550 ( 4.617 2.166 2.101) 5.516 5.621 ( 5.267 -4.467 0.932) 6.969 5.634 ( 6.833 -3.698 1.156) 7.855 5.902 ( 5.347 -0.118 1.576) 5.576 5.947 ( 5.777 -4.682 5.163) 9.052 6.238 ( -0.779 3.530 1.923) 4.094 6.287 ( 0.322 -0.542 -0.720) 0.956 6.484 ( 1.522 3.806 0.665) 4.152 6.525 ( 1.758 -0.125 0.754) 1.917 6.936 ( 0.054 -0.317 -1.842) 1.870 6.964 ( -0.148 -2.650 0.563) 2.714 7.167 ( -1.331 1.677 -4.444) 4.933 7.198 ( -1.631 -0.798 -1.912) 2.637 7.338 ( -2.931 0.268 0.578) 3.000 7.350 ( -2.867 -0.669 1.877) 3.491 10.375 ( 0.180 1.019 0.710) 1.255 10.402 ( 0.437 -0.858 0.237) 0.992 10.437 ( 1.059 0.380 -0.092) 1.129 10.464 ( 1.380 -1.502 -0.473) 2.094 10.866 ( -1.695 4.421 0.778) 4.799 10.904 ( -0.617 3.276 0.226) 3.341 10.973 ( -2.768 -2.993 -0.474) 4.104 11.023 ( -2.069 -5.608 1.018) 6.063 11.344 ( -2.307 1.742 -1.624) 3.315 11.380 ( -2.056 -1.502 -1.492) 2.951 11.521 ( 0.885 2.381 -2.488) 3.556 11.554 ( 2.160 -0.038 1.519) 2.640 11.660 ( 0.225 0.631 -3.325) 3.391 11.696 ( -1.465 -1.842 -1.970) 3.069 11.802 ( 3.252 1.914 4.115) 5.583 11.850 ( 2.615 -2.192 2.959) 4.517======================= Grid point 90 (54/54) =======================q-point: (-0.14 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.689 ( -3.862 9.191 -2.885) 10.378 0.770 ( -1.443 0.858 -5.477) 5.729 0.813 ( -3.391 0.315 0.133) 3.408 0.848 ( -4.415 0.705 1.162) 4.620 0.941 ( 0.766 1.266 0.240) 1.499 0.999 ( 1.499 -0.683 1.101) 1.981 1.031 ( 0.346 -3.490 2.374) 4.235 1.062 ( -1.485 -7.568 1.403) 7.839 1.148 ( -1.184 -1.613 0.934) 2.208 1.154 ( -1.424 -1.698 2.542) 3.373 1.249 ( -0.547 2.272 -0.217) 2.346 1.315 ( -1.927 -3.174 -1.376) 3.960 1.420 ( 1.945 1.950 -1.053) 2.949 1.466 ( 1.240 -1.549 -2.644) 3.306 1.509 ( 0.614 2.811 -3.895) 4.842 1.533 ( -0.439 0.172 -2.052) 2.105 1.624 ( 0.833 2.310 -2.707) 3.655 1.645 ( -0.356 1.368 -1.597) 2.133 1.727 ( 1.740 0.830 1.966) 2.753 1.734 ( -1.028 1.595 5.321) 5.649 1.794 ( 1.835 0.804 -4.155) 4.612 1.824 ( -2.003 -1.186 -0.056) 2.329 1.994 ( -1.391 2.851 1.555) 3.532 2.047 ( -3.395 -1.411 -1.048) 3.823 2.387 ( 0.566 -2.490 4.365) 5.057 2.398 ( -0.930 -3.415 3.940) 5.296 2.571 ( 0.251 1.964 0.715) 2.105 2.624 ( -0.050 -2.612 1.180) 2.867 2.806 ( -1.168 1.708 -5.577) 5.948 2.846 ( -1.250 0.032 -6.479) 6.598 2.894 ( -2.179 -0.222 -1.267) 2.530 2.922 ( -3.327 -1.373 -3.548) 5.054 3.240 ( 2.167 1.900 3.335) 4.408 3.275 ( 1.225 -1.358 2.861) 3.396 3.529 ( 0.643 5.943 -0.666) 6.015 3.615 ( -1.295 -1.986 -1.088) 2.609 3.745 ( -0.128 2.695 1.610) 3.142 3.770 ( -0.124 0.593 2.972) 3.033 3.803 ( -1.362 0.476 10.163) 10.265 3.893 ( 0.259 -5.867 9.705) 11.343 4.100 ( 0.919 1.817 0.331) 2.062 4.137 ( -5.785 2.211 4.096) 7.425 4.175 ( 1.910 -2.603 -0.959) 3.368 4.200 ( -0.489 -0.960 -0.171) 1.091 4.755 ( -2.117 4.245 -4.555) 6.576 4.869 ( 0.108 -4.694 -5.728) 7.407 4.894 ( -1.765 3.644 -0.384) 4.068 4.972 ( -1.872 -3.645 -3.561) 5.429 5.219 ( 1.636 1.899 -1.410) 2.876 5.257 ( -0.050 -1.557 0.260) 1.579 5.317 ( -1.080 4.471 -0.902) 4.687 5.422 ( -1.295 -3.976 -3.473) 5.436 5.585 ( 4.627 5.283 2.835) 7.573 5.663 ( 4.335 -0.228 4.531) 6.275 5.725 ( 5.062 -0.539 -0.452) 5.111 5.778 ( 6.397 -3.483 -0.360) 7.292 6.039 ( 6.232 1.887 2.904) 7.129 6.110 ( 6.401 -4.535 4.837) 9.216 6.234 ( -0.895 2.973 1.357) 3.389 6.289 ( -0.280 -1.884 1.706) 2.557 6.555 ( 5.329 1.428 -0.990) 5.605 6.583 ( 4.155 -1.388 1.382) 4.593 6.898 ( -6.499 2.207 1.202) 6.968 6.936 ( -0.802 -0.994 -1.232) 1.775 7.082 ( -4.099 -0.012 -7.956) 8.950 7.119 ( -0.004 -2.849 -5.563) 6.250 7.288 ( -3.182 1.544 1.883) 4.007 7.313 ( -3.391 -0.663 2.978) 4.561 10.393 ( 0.832 0.807 1.097) 1.596 10.417 ( 1.094 -1.202 0.102) 1.628 10.451 ( 0.245 0.776 0.268) 0.857 10.477 ( 0.569 -1.276 -0.811) 1.615 10.845 ( -1.092 4.427 1.074) 4.684 10.893 ( -1.294 3.301 0.991) 3.681 10.928 ( -1.467 -2.333 0.061) 2.757 10.982 ( -2.724 -5.385 0.506) 6.056 11.302 ( -0.691 2.191 -1.457) 2.720 11.335 ( -1.139 -1.263 -1.958) 2.593 11.492 ( -0.957 3.408 -2.657) 4.426 11.580 ( -0.152 -3.891 -3.504) 5.238 11.649 ( 1.205 2.081 0.149) 2.409 11.687 ( 0.688 -1.177 0.625) 1.500 11.889 ( 2.779 0.384 2.764) 3.938 11.912 ( 1.484 -1.385 2.354) 3.108=================== 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 3/14700 10.0 19.356 17.963 26.311 0.000 0.369 0.000 3/14700 20.0 5.546 5.592 8.151 0.000 0.182 0.000 3/14700 30.0 3.044 3.100 4.493 0.000 0.088 0.000 3/14700 40.0 2.075 2.107 3.054 0.000 0.048 0.000 3/14700 50.0 1.573 1.589 2.305 0.000 0.029 0.000 3/14700 60.0 1.269 1.276 1.852 0.000 0.019 0.000 3/14700 70.0 1.067 1.068 1.550 0.000 0.014 0.000 3/14700 80.0 0.922 0.920 1.336 0.000 0.011 0.000 3/14700 90.0 0.814 0.809 1.175 0.000 0.009 0.000 3/14700 100.0 0.729 0.723 1.051 0.000 0.008 0.000 3/14700 110.0 0.661 0.655 0.951 0.000 0.007 0.000 3/14700 120.0 0.605 0.599 0.870 0.000 0.007 0.000 3/14700 130.0 0.559 0.552 0.802 0.000 0.006 0.000 3/14700 140.0 0.519 0.513 0.744 0.000 0.006 0.000 3/14700 150.0 0.485 0.478 0.695 0.000 0.006 0.000 3/14700 160.0 0.455 0.449 0.651 0.000 0.006 0.000 3/14700 170.0 0.429 0.423 0.614 0.000 0.006 0.000 3/14700 180.0 0.405 0.400 0.580 0.000 0.006 0.000 3/14700 190.0 0.384 0.379 0.550 0.000 0.005 0.000 3/14700 200.0 0.366 0.361 0.523 0.000 0.005 0.000 3/14700 210.0 0.349 0.344 0.499 0.000 0.005 0.000 3/14700 220.0 0.333 0.329 0.476 0.000 0.005 0.000 3/14700 230.0 0.319 0.315 0.456 0.000 0.005 0.000 3/14700 240.0 0.306 0.302 0.438 0.000 0.005 0.000 3/14700 250.0 0.294 0.290 0.420 0.000 0.005 0.000 3/14700 260.0 0.283 0.280 0.405 0.000 0.005 0.000 3/14700 270.0 0.273 0.270 0.390 0.000 0.005 0.000 3/14700 280.0 0.263 0.260 0.376 0.000 0.004 0.000 3/14700 290.0 0.254 0.251 0.364 0.000 0.004 0.000 3/14700 300.0 0.246 0.243 0.352 0.000 0.004 0.000 3/14700 310.0 0.238 0.236 0.341 0.000 0.004 0.000 3/14700 320.0 0.231 0.229 0.330 0.000 0.004 0.000 3/14700 330.0 0.224 0.222 0.321 0.000 0.004 0.000 3/14700 340.0 0.218 0.215 0.311 0.000 0.004 0.000 3/14700 350.0 0.212 0.209 0.303 0.000 0.004 0.000 3/14700 360.0 0.206 0.204 0.294 0.000 0.004 0.000 3/14700 370.0 0.200 0.198 0.287 0.000 0.004 0.000 3/14700 380.0 0.195 0.193 0.279 0.000 0.004 0.000 3/14700 390.0 0.190 0.188 0.272 0.000 0.004 0.000 3/14700 400.0 0.186 0.184 0.266 0.000 0.004 0.000 3/14700 410.0 0.181 0.179 0.259 0.000 0.004 0.000 3/14700 420.0 0.177 0.175 0.253 0.000 0.003 0.000 3/14700 430.0 0.173 0.171 0.247 0.000 0.003 0.000 3/14700 440.0 0.169 0.167 0.242 0.000 0.003 0.000 3/14700 450.0 0.165 0.164 0.237 0.000 0.003 0.000 3/14700 460.0 0.162 0.160 0.231 0.000 0.003 0.000 3/14700 470.0 0.158 0.157 0.227 0.000 0.003 0.000 3/14700 480.0 0.155 0.154 0.222 0.000 0.003 0.000 3/14700 490.0 0.152 0.151 0.218 0.000 0.003 0.000 3/14700 500.0 0.149 0.148 0.213 0.000 0.003 0.000 3/14700 510.0 0.146 0.145 0.209 0.000 0.003 0.000 3/14700 520.0 0.143 0.142 0.205 0.000 0.003 0.000 3/14700 530.0 0.141 0.140 0.201 0.000 0.003 0.000 3/14700 540.0 0.138 0.137 0.198 0.000 0.003 0.000 3/14700 550.0 0.136 0.135 0.194 0.000 0.003 0.000 3/14700 560.0 0.133 0.132 0.191 0.000 0.003 0.000 3/14700 570.0 0.131 0.130 0.187 0.000 0.003 0.000 3/14700 580.0 0.129 0.128 0.184 0.000 0.003 0.000 3/14700 590.0 0.127 0.126 0.181 0.000 0.003 0.000 3/14700 600.0 0.125 0.124 0.178 0.000 0.003 0.000 3/14700 610.0 0.123 0.122 0.175 0.000 0.003 0.000 3/14700 620.0 0.121 0.120 0.172 0.000 0.003 0.000 3/14700 630.0 0.119 0.118 0.170 0.000 0.003 0.000 3/14700 640.0 0.117 0.116 0.167 0.000 0.002 0.000 3/14700 650.0 0.115 0.114 0.165 0.000 0.002 0.000 3/14700 660.0 0.113 0.112 0.162 0.000 0.002 0.000 3/14700 670.0 0.112 0.111 0.160 0.000 0.002 0.000 3/14700 680.0 0.110 0.109 0.157 0.000 0.002 0.000 3/14700 690.0 0.108 0.108 0.155 0.000 0.002 0.000 3/14700 700.0 0.107 0.106 0.153 0.000 0.002 0.000 3/14700 710.0 0.105 0.105 0.151 0.000 0.002 0.000 3/14700 720.0 0.104 0.103 0.149 0.000 0.002 0.000 3/14700 730.0 0.103 0.102 0.147 0.000 0.002 0.000 3/14700 740.0 0.101 0.100 0.145 0.000 0.002 0.000 3/14700 750.0 0.100 0.099 0.143 0.000 0.002 0.000 3/14700 760.0 0.099 0.098 0.141 0.000 0.002 0.000 3/14700 770.0 0.097 0.097 0.139 0.000 0.002 0.000 3/14700 780.0 0.096 0.095 0.137 0.000 0.002 0.000 3/14700 790.0 0.095 0.094 0.136 0.000 0.002 0.000 3/14700 800.0 0.094 0.093 0.134 0.000 0.002 0.000 3/14700 810.0 0.093 0.092 0.132 0.000 0.002 0.000 3/14700 820.0 0.091 0.091 0.131 0.000 0.002 0.000 3/14700 830.0 0.090 0.090 0.129 0.000 0.002 0.000 3/14700 840.0 0.089 0.089 0.128 0.000 0.002 0.000 3/14700 850.0 0.088 0.088 0.126 0.000 0.002 0.000 3/14700 860.0 0.087 0.087 0.125 0.000 0.002 0.000 3/14700 870.0 0.086 0.086 0.123 0.000 0.002 0.000 3/14700 880.0 0.085 0.085 0.122 0.000 0.002 0.000 3/14700 890.0 0.084 0.084 0.121 0.000 0.002 0.000 3/14700 900.0 0.083 0.083 0.119 0.000 0.002 0.000 3/14700 910.0 0.082 0.082 0.118 0.000 0.002 0.000 3/14700 920.0 0.082 0.081 0.117 0.000 0.002 0.000 3/14700 930.0 0.081 0.080 0.115 0.000 0.002 0.000 3/14700 940.0 0.080 0.079 0.114 0.000 0.002 0.000 3/14700 950.0 0.079 0.078 0.113 0.000 0.002 0.000 3/14700 960.0 0.078 0.078 0.112 0.000 0.002 0.000 3/14700 970.0 0.077 0.077 0.111 0.000 0.002 0.000 3/14700 980.0 0.077 0.076 0.110 0.000 0.002 0.000 3/14700 990.0 0.076 0.075 0.109 0.000 0.002 0.000 3/14700 1000.0 0.075 0.075 0.107 0.000 0.002 0.000 3/14700Thermal conductivity related properties were written into "kappa-m755.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 15:54:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|