----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:17:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.200139540030516 -2.523241215000001 0.000000000000000 b 5.200139540030516 2.523241215000001 0.000000000000000 c -1.629006902408391 0.000000000000000 21.430354800890996 Atomic positions (fractional): *1 Mn 0.51592045914279 0.11397726936854 0.18190817001983 54.938 *2 Mn 0.95837386789719 0.19284990064506 0.42945233596676 54.938 3 Mn 0.80715009935494 0.04162613210281 0.07054766403324 54.938 4 Mn 0.88602273063146 0.48407954085721 0.31809182998017 54.938 5 Mn 0.19284990064506 0.95837386789719 0.92945233596676 54.938 6 Mn 0.11397726936854 0.51592045914279 0.68190817001983 54.938 7 Mn 0.04162613210281 0.80715009935494 0.57054766403324 54.938 8 Mn 0.48407954085721 0.88602273063146 0.81809182998017 54.938 *9 P 0.95653422991372 0.99084917204194 0.17034847032425 30.974 *10 P 0.41234226613214 0.03699389065850 0.45067626246706 30.974 *11 P 0.63531933732384 0.43309782014583 0.80009383051626 30.974 12 P 0.56690217985417 0.36468066267616 0.69990616948374 30.974 13 P 0.96300610934150 0.58765773386786 0.04932373753294 30.974 *14 P 0.50442245362071 0.34229199453172 0.42594540920624 30.974 *15 P 0.63830006569177 0.82424945169955 0.91626602055304 30.974 *16 P 0.90470622952718 0.24307754343067 0.53616178214356 30.974 *17 P 0.71003781686633 0.94416633362078 0.28354115589591 30.974 18 P 0.34229199453172 0.50442245362071 0.92594540920624 30.974 19 P 0.99084917204194 0.95653422991372 0.67034847032425 30.974 *20 P 0.65268113881307 0.66857776870466 0.16922771321705 30.974 21 P 0.34731886118693 0.33142223129534 0.83077228678295 30.974 22 P 0.66857776870466 0.65268113881307 0.66922771321705 30.974 23 P 0.04346577008628 0.00915082795806 0.82965152967575 30.974 24 P 0.43309782014582 0.63531933732383 0.30009383051625 30.974 25 P 0.17575054830046 0.36169993430823 0.58373397944696 30.974 26 P 0.33142223129534 0.34731886118693 0.33077228678296 30.974 27 P 0.24307754343067 0.90470622952718 0.03616178214356 30.974 28 P 0.09529377047282 0.75692245656933 0.46383821785644 30.974 29 P 0.05583366637922 0.28996218313367 0.21645884410409 30.974 30 P 0.94416633362078 0.71003781686633 0.78354115589591 30.974 31 P 0.28996218313367 0.05583366637922 0.71645884410409 30.974 32 P 0.36169993430823 0.17575054830045 0.08373397944696 30.974 33 P 0.00915082795806 0.04346577008628 0.32965152967575 30.974 34 P 0.36468066267616 0.56690217985418 0.19990616948375 30.974 35 P 0.82424945169954 0.63830006569177 0.41626602055304 30.974 36 P 0.49557754637929 0.65770800546828 0.57405459079376 30.974 37 P 0.75692245656933 0.09529377047282 0.96383821785644 30.974 38 P 0.03699389065850 0.41234226613214 0.95067626246706 30.974 39 P 0.58765773386786 0.96300610934150 0.54932373753294 30.974 40 P 0.65770800546828 0.49557754637929 0.07405459079377 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.400279080061033 0.000000000000000 0.000000000000000 b 0.000000000000000 5.046482430000001 0.000000000000000 c -1.629006902408391 0.000000000000000 21.430354800890996 Atomic positions (fractional): *1 Mn 0.31494886425566 0.79902840511288 0.18190817001983 54.938 > 1 *2 Mn 0.07561188427113 0.11723801637394 0.42945233596676 54.938 > 2 3 Mn 0.42438811572887 0.61723801637394 0.07054766403324 54.938 > 3 4 Mn 0.18505113574434 0.29902840511288 0.31809182998017 54.938 > 4 5 Mn 0.07561188427113 0.88276198362606 0.92945233596676 54.938 > 5 6 Mn 0.31494886425566 0.20097159488712 0.68190817001983 54.938 > 6 7 Mn 0.42438811572887 0.38276198362606 0.57054766403324 54.938 > 7 8 Mn 0.18505113574434 0.70097159488712 0.81809182998017 54.938 > 8 9 Mn 0.81494886425566 0.29902840511288 0.18190817001983 54.938 > 1 10 Mn 0.57561188427113 0.61723801637394 0.42945233596676 54.938 > 2 11 Mn 0.92438811572887 0.11723801637394 0.07054766403324 54.938 > 3 12 Mn 0.68505113574434 0.79902840511288 0.31809182998017 54.938 > 4 13 Mn 0.57561188427113 0.38276198362606 0.92945233596676 54.938 > 5 14 Mn 0.81494886425566 0.70097159488712 0.68190817001983 54.938 > 6 15 Mn 0.92438811572887 0.88276198362606 0.57054766403324 54.938 > 7 16 Mn 0.68505113574434 0.20097159488712 0.81809182998017 54.938 > 8 *17 P 0.47369170097783 0.51715747106411 0.17034847032425 30.974 > 9 *18 P 0.22466807839532 0.81232581226318 0.45067626246706 30.974 > 10 *19 P 0.03420857873483 0.39888924141100 0.80009383051626 30.974 > 11 20 P 0.46579142126517 0.89888924141100 0.69990616948374 30.974 > 12 21 P 0.27533192160468 0.31232581226318 0.04932373753294 30.974 > 13 *22 P 0.42335722407621 0.91893477045551 0.42594540920624 30.974 > 14 *23 P 0.23127475869566 0.59297469300389 0.91626602055304 30.974 > 15 *24 P 0.07389188647893 0.16918565695174 0.53616178214356 30.974 > 16 *25 P 0.32710207524356 0.61706425837722 0.28354115589591 30.974 > 17 26 P 0.42335722407621 0.08106522954449 0.92594540920624 30.974 > 18 27 P 0.47369170097783 0.48284252893590 0.67034847032425 30.974 > 19 *28 P 0.16062945375886 0.50794831494579 0.16922771321705 30.974 > 20 29 P 0.33937054624114 0.99205168505421 0.83077228678295 30.974 > 21 30 P 0.16062945375886 0.49205168505421 0.66922771321705 30.974 > 22 31 P 0.02630829902217 0.98284252893589 0.82965152967575 30.974 > 23 32 P 0.03420857873483 0.60111075858900 0.30009383051625 30.974 > 24 33 P 0.26872524130434 0.09297469300389 0.58373397944696 30.974 > 25 34 P 0.33937054624114 0.00794831494579 0.33077228678296 30.974 > 26 35 P 0.07389188647893 0.83081434304826 0.03616178214356 30.974 > 27 36 P 0.42610811352108 0.33081434304826 0.46383821785644 30.974 > 28 37 P 0.17289792475644 0.11706425837722 0.21645884410409 30.974 > 29 38 P 0.32710207524356 0.38293574162278 0.78354115589591 30.974 > 30 39 P 0.17289792475644 0.88293574162278 0.71645884410409 30.974 > 31 40 P 0.26872524130434 0.90702530699611 0.08373397944696 30.974 > 32 41 P 0.02630829902217 0.01715747106410 0.32965152967575 30.974 > 33 42 P 0.46579142126517 0.10111075858901 0.19990616948375 30.974 > 34 43 P 0.23127475869566 0.40702530699611 0.41626602055304 30.974 > 35 44 P 0.07664277592379 0.58106522954449 0.57405459079376 30.974 > 36 45 P 0.42610811352108 0.66918565695174 0.96383821785644 30.974 > 37 46 P 0.22466807839532 0.18767418773682 0.95067626246706 30.974 > 38 47 P 0.27533192160468 0.68767418773682 0.54932373753294 30.974 > 39 48 P 0.07664277592379 0.41893477045551 0.07405459079377 30.974 > 40 49 P 0.97369170097783 0.01715747106410 0.17034847032425 30.974 > 9 50 P 0.72466807839532 0.31232581226318 0.45067626246706 30.974 > 10 51 P 0.53420857873483 0.89888924141100 0.80009383051626 30.974 > 11 52 P 0.96579142126517 0.39888924141100 0.69990616948374 30.974 > 12 53 P 0.77533192160468 0.81232581226318 0.04932373753294 30.974 > 13 54 P 0.92335722407621 0.41893477045551 0.42594540920624 30.974 > 14 55 P 0.73127475869566 0.09297469300389 0.91626602055304 30.974 > 15 56 P 0.57389188647892 0.66918565695174 0.53616178214356 30.974 > 16 57 P 0.82710207524355 0.11706425837722 0.28354115589591 30.974 > 17 58 P 0.92335722407621 0.58106522954449 0.92594540920624 30.974 > 18 59 P 0.97369170097783 0.98284252893589 0.67034847032425 30.974 > 19 60 P 0.66062945375886 0.00794831494579 0.16922771321705 30.974 > 20 61 P 0.83937054624114 0.49205168505421 0.83077228678295 30.974 > 21 62 P 0.66062945375886 0.99205168505421 0.66922771321705 30.974 > 22 63 P 0.52630829902217 0.48284252893590 0.82965152967575 30.974 > 23 64 P 0.53420857873483 0.10111075858901 0.30009383051625 30.974 > 24 65 P 0.76872524130434 0.59297469300389 0.58373397944696 30.974 > 25 66 P 0.83937054624114 0.50794831494579 0.33077228678296 30.974 > 26 67 P 0.57389188647892 0.33081434304826 0.03616178214356 30.974 > 27 68 P 0.92610811352108 0.83081434304826 0.46383821785644 30.974 > 28 69 P 0.67289792475645 0.61706425837722 0.21645884410409 30.974 > 29 70 P 0.82710207524355 0.88293574162278 0.78354115589591 30.974 > 30 71 P 0.67289792475645 0.38293574162278 0.71645884410409 30.974 > 31 72 P 0.76872524130434 0.40702530699611 0.08373397944696 30.974 > 32 73 P 0.52630829902217 0.51715747106411 0.32965152967575 30.974 > 33 74 P 0.96579142126517 0.60111075858900 0.19990616948375 30.974 > 34 75 P 0.73127475869566 0.90702530699611 0.41626602055304 30.974 > 35 76 P 0.57664277592379 0.08106522954449 0.57405459079376 30.974 > 36 77 P 0.92610811352108 0.16918565695174 0.96383821785644 30.974 > 37 78 P 0.72466807839532 0.68767418773682 0.95067626246706 30.974 > 38 79 P 0.77533192160468 0.18767418773682 0.54932373753294 30.974 > 39 80 P 0.57664277592379 0.91893477045551 0.07405459079377 30.974 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.400279080061033 0.000000000000000 0.000000000000000 b 0.000000000000000 5.046482430000001 0.000000000000000 c -1.629006902408391 0.000000000000000 21.430354800890996 Atomic positions (fractional): *1 Mn 0.31494886425566 0.79902840511288 0.18190817001983 54.938 > 1 *2 Mn 0.07561188427113 0.11723801637394 0.42945233596676 54.938 > 2 3 Mn 0.42438811572887 0.61723801637394 0.07054766403324 54.938 > 3 4 Mn 0.18505113574434 0.29902840511288 0.31809182998017 54.938 > 4 5 Mn 0.07561188427113 0.88276198362606 0.92945233596676 54.938 > 5 6 Mn 0.31494886425566 0.20097159488712 0.68190817001983 54.938 > 6 7 Mn 0.42438811572887 0.38276198362606 0.57054766403324 54.938 > 7 8 Mn 0.18505113574434 0.70097159488712 0.81809182998017 54.938 > 8 9 Mn 0.81494886425566 0.29902840511288 0.18190817001983 54.938 > 1 10 Mn 0.57561188427113 0.61723801637394 0.42945233596676 54.938 > 2 11 Mn 0.92438811572887 0.11723801637394 0.07054766403324 54.938 > 3 12 Mn 0.68505113574434 0.79902840511288 0.31809182998017 54.938 > 4 13 Mn 0.57561188427113 0.38276198362606 0.92945233596676 54.938 > 5 14 Mn 0.81494886425566 0.70097159488712 0.68190817001983 54.938 > 6 15 Mn 0.92438811572887 0.88276198362606 0.57054766403324 54.938 > 7 16 Mn 0.68505113574434 0.20097159488712 0.81809182998017 54.938 > 8 *17 P 0.47369170097783 0.51715747106411 0.17034847032425 30.974 > 9 *18 P 0.22466807839532 0.81232581226318 0.45067626246706 30.974 > 10 *19 P 0.03420857873483 0.39888924141100 0.80009383051626 30.974 > 11 20 P 0.46579142126517 0.89888924141100 0.69990616948374 30.974 > 12 21 P 0.27533192160468 0.31232581226318 0.04932373753294 30.974 > 13 *22 P 0.42335722407621 0.91893477045551 0.42594540920624 30.974 > 14 *23 P 0.23127475869566 0.59297469300389 0.91626602055304 30.974 > 15 *24 P 0.07389188647893 0.16918565695174 0.53616178214356 30.974 > 16 *25 P 0.32710207524356 0.61706425837722 0.28354115589591 30.974 > 17 26 P 0.42335722407621 0.08106522954449 0.92594540920624 30.974 > 18 27 P 0.47369170097783 0.48284252893590 0.67034847032425 30.974 > 19 *28 P 0.16062945375886 0.50794831494579 0.16922771321705 30.974 > 20 29 P 0.33937054624114 0.99205168505421 0.83077228678295 30.974 > 21 30 P 0.16062945375886 0.49205168505421 0.66922771321705 30.974 > 22 31 P 0.02630829902217 0.98284252893589 0.82965152967575 30.974 > 23 32 P 0.03420857873483 0.60111075858900 0.30009383051625 30.974 > 24 33 P 0.26872524130434 0.09297469300389 0.58373397944696 30.974 > 25 34 P 0.33937054624114 0.00794831494579 0.33077228678296 30.974 > 26 35 P 0.07389188647893 0.83081434304826 0.03616178214356 30.974 > 27 36 P 0.42610811352108 0.33081434304826 0.46383821785644 30.974 > 28 37 P 0.17289792475644 0.11706425837722 0.21645884410409 30.974 > 29 38 P 0.32710207524356 0.38293574162278 0.78354115589591 30.974 > 30 39 P 0.17289792475644 0.88293574162278 0.71645884410409 30.974 > 31 40 P 0.26872524130434 0.90702530699611 0.08373397944696 30.974 > 32 41 P 0.02630829902217 0.01715747106410 0.32965152967575 30.974 > 33 42 P 0.46579142126517 0.10111075858901 0.19990616948375 30.974 > 34 43 P 0.23127475869566 0.40702530699611 0.41626602055304 30.974 > 35 44 P 0.07664277592379 0.58106522954449 0.57405459079376 30.974 > 36 45 P 0.42610811352108 0.66918565695174 0.96383821785644 30.974 > 37 46 P 0.22466807839532 0.18767418773682 0.95067626246706 30.974 > 38 47 P 0.27533192160468 0.68767418773682 0.54932373753294 30.974 > 39 48 P 0.07664277592379 0.41893477045551 0.07405459079377 30.974 > 40 49 P 0.97369170097783 0.01715747106410 0.17034847032425 30.974 > 9 50 P 0.72466807839532 0.31232581226318 0.45067626246706 30.974 > 10 51 P 0.53420857873483 0.89888924141100 0.80009383051626 30.974 > 11 52 P 0.96579142126517 0.39888924141100 0.69990616948374 30.974 > 12 53 P 0.77533192160468 0.81232581226318 0.04932373753294 30.974 > 13 54 P 0.92335722407621 0.41893477045551 0.42594540920624 30.974 > 14 55 P 0.73127475869566 0.09297469300389 0.91626602055304 30.974 > 15 56 P 0.57389188647892 0.66918565695174 0.53616178214356 30.974 > 16 57 P 0.82710207524355 0.11706425837722 0.28354115589591 30.974 > 17 58 P 0.92335722407621 0.58106522954449 0.92594540920624 30.974 > 18 59 P 0.97369170097783 0.98284252893589 0.67034847032425 30.974 > 19 60 P 0.66062945375886 0.00794831494579 0.16922771321705 30.974 > 20 61 P 0.83937054624114 0.49205168505421 0.83077228678295 30.974 > 21 62 P 0.66062945375886 0.99205168505421 0.66922771321705 30.974 > 22 63 P 0.52630829902217 0.48284252893590 0.82965152967575 30.974 > 23 64 P 0.53420857873483 0.10111075858901 0.30009383051625 30.974 > 24 65 P 0.76872524130434 0.59297469300389 0.58373397944696 30.974 > 25 66 P 0.83937054624114 0.50794831494579 0.33077228678296 30.974 > 26 67 P 0.57389188647892 0.33081434304826 0.03616178214356 30.974 > 27 68 P 0.92610811352108 0.83081434304826 0.46383821785644 30.974 > 28 69 P 0.67289792475645 0.61706425837722 0.21645884410409 30.974 > 29 70 P 0.82710207524355 0.88293574162278 0.78354115589591 30.974 > 30 71 P 0.67289792475645 0.38293574162278 0.71645884410409 30.974 > 31 72 P 0.76872524130434 0.40702530699611 0.08373397944696 30.974 > 32 73 P 0.52630829902217 0.51715747106411 0.32965152967575 30.974 > 33 74 P 0.96579142126517 0.60111075858900 0.19990616948375 30.974 > 34 75 P 0.73127475869566 0.90702530699611 0.41626602055304 30.974 > 35 76 P 0.57664277592379 0.08106522954449 0.57405459079376 30.974 > 36 77 P 0.92610811352108 0.16918565695174 0.96383821785644 30.974 > 37 78 P 0.72466807839532 0.68767418773682 0.95067626246706 30.974 > 38 79 P 0.77533192160468 0.18767418773682 0.54932373753294 30.974 > 39 80 P 0.57664277592379 0.91893477045551 0.07405459079377 30.974 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.6719222 0.0000000 0.0925741 0.0000000 19.4560949 0.0000000 0.0925925 0.0000000 20.5567111 -------------------------- Born effective charges -------------------------- 1 Mn -7.0073964 -0.5190546 -0.0432938 -0.0422169 -6.1532004 -0.8293900 -0.0657304 -0.2327385 -7.2535116 2 Mn -6.7653714 0.0862091 -0.4047221 0.0448653 -6.3225820 -0.1239741 -0.4288915 -0.1993999 -6.3315938 3 Mn -6.7653714 -0.0862091 -0.4047221 -0.0448653 -6.3225820 0.1239741 -0.4288915 0.1993999 -6.3315938 4 Mn -7.0073964 0.5190546 -0.0432938 0.0422169 -6.1532004 0.8293900 -0.0657304 0.2327385 -7.2535116 5 Mn -6.7653714 -0.0862091 -0.4047221 -0.0448653 -6.3225820 0.1239741 -0.4288915 0.1993999 -6.3315938 6 Mn -7.0073964 0.5190546 -0.0432938 0.0422169 -6.1532004 0.8293900 -0.0657304 0.2327385 -7.2535116 7 Mn -6.7653714 0.0862091 -0.4047221 0.0448653 -6.3225820 -0.1239741 -0.4288915 -0.1993999 -6.3315938 8 Mn -7.0073964 -0.5190546 -0.0432938 -0.0422169 -6.1532004 -0.8293900 -0.0657304 -0.2327385 -7.2535116 9 P 2.2948589 -0.6951110 0.1102851 -0.2899501 2.2403835 0.1274962 -0.0108404 -0.1076009 2.2557260 10 P 1.5275073 -0.8570077 0.0883989 -0.4319518 1.2119294 -0.2536685 0.1283148 -0.4683028 0.9111865 11 P 1.5341725 0.9687069 0.2190089 0.2703868 1.0907827 0.1577003 0.2462596 -0.0782357 0.8748822 12 P 1.5341725 -0.9687069 0.2190089 -0.2703868 1.0907827 -0.1577003 0.2462596 0.0782357 0.8748822 13 P 1.5275073 0.8570077 0.0883989 0.4319518 1.2119294 0.2536685 0.1283148 0.4683028 0.9111865 14 P 1.5691289 -0.8784259 -0.0040528 -0.3018949 1.2989475 0.2039095 0.2680685 -0.2931745 0.5771686 15 P 1.9651498 -0.6245986 0.2076681 -0.2008820 1.9524254 -0.1873479 0.2309741 -0.4745888 2.4294771 16 P 1.6919217 0.8701517 0.0292228 0.4174018 1.9100280 -0.0892442 -0.4295482 0.2308765 2.5551127 17 P 1.7695104 0.8091408 -0.1829689 0.4410683 1.7680579 0.2086988 -0.1853046 -0.0495553 2.7149324 18 P 1.5691289 0.8784259 -0.0040528 0.3018949 1.2989475 -0.2039095 0.2680685 0.2931745 0.5771686 19 P 2.2948589 0.6951110 0.1102851 0.2899501 2.2403835 -0.1274962 -0.0108404 0.1076009 2.2557260 20 P 1.4205183 0.8677334 -0.0195461 0.5560274 1.0032281 -0.1708606 0.2466981 -0.1061472 1.2666199 21 P 1.4205183 0.8677334 -0.0195461 0.5560274 1.0032281 -0.1708606 0.2466981 -0.1061472 1.2666199 22 P 1.4205183 -0.8677334 -0.0195461 -0.5560274 1.0032281 0.1708606 0.2466981 0.1061472 1.2666199 23 P 2.2948589 -0.6951110 0.1102851 -0.2899501 2.2403835 0.1274962 -0.0108404 -0.1076009 2.2557260 24 P 1.5341725 -0.9687069 0.2190089 -0.2703868 1.0907827 -0.1577003 0.2462596 0.0782357 0.8748822 25 P 1.9651498 0.6245986 0.2076681 0.2008820 1.9524254 0.1873479 0.2309741 0.4745888 2.4294771 26 P 1.4205183 -0.8677334 -0.0195461 -0.5560274 1.0032281 0.1708606 0.2466981 0.1061472 1.2666199 27 P 1.6919217 -0.8701517 0.0292228 -0.4174018 1.9100280 0.0892442 -0.4295482 -0.2308765 2.5551127 28 P 1.6919217 0.8701517 0.0292228 0.4174018 1.9100280 -0.0892442 -0.4295482 0.2308765 2.5551127 29 P 1.7695104 -0.8091408 -0.1829689 -0.4410683 1.7680579 -0.2086988 -0.1853046 0.0495553 2.7149324 30 P 1.7695104 -0.8091408 -0.1829689 -0.4410683 1.7680579 -0.2086988 -0.1853046 0.0495553 2.7149324 31 P 1.7695104 0.8091408 -0.1829689 0.4410683 1.7680579 0.2086988 -0.1853046 -0.0495553 2.7149324 32 P 1.9651498 -0.6245986 0.2076681 -0.2008820 1.9524254 -0.1873479 0.2309741 -0.4745888 2.4294771 33 P 2.2948589 0.6951110 0.1102851 0.2899501 2.2403835 -0.1274962 -0.0108404 0.1076009 2.2557260 34 P 1.5341725 0.9687069 0.2190089 0.2703868 1.0907827 0.1577003 0.2462596 -0.0782357 0.8748822 35 P 1.9651498 0.6245986 0.2076681 0.2008820 1.9524254 0.1873479 0.2309741 0.4745888 2.4294771 36 P 1.5691289 -0.8784259 -0.0040528 -0.3018949 1.2989475 0.2039095 0.2680685 -0.2931745 0.5771686 37 P 1.6919217 -0.8701517 0.0292228 -0.4174018 1.9100280 0.0892442 -0.4295482 -0.2308765 2.5551127 38 P 1.5275073 0.8570077 0.0883989 0.4319518 1.2119294 0.2536685 0.1283148 0.4683028 0.9111865 39 P 1.5275073 -0.8570077 0.0883989 -0.4319518 1.2119294 -0.2536685 0.1283148 -0.4683028 0.9111865 40 P 1.5691289 0.8784259 -0.0040528 0.3018949 1.2989475 -0.2039095 0.2680685 0.2931745 0.5771686 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 19236/19236 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.871 Solver_block: 200 / 1200 - Time: 0.684 Solver_block: 300 / 1200 - Time: 0.684 Solver_block: 400 / 1200 - Time: 0.674 Solver_block: 500 / 1200 - Time: 0.676 Solver_block: 600 / 1200 - Time: 0.670 Solver_block: 700 / 1200 - Time: 0.674 Solver_block: 800 / 1200 - Time: 0.661 Solver_block: 900 / 1200 - Time: 0.677 Solver_block: 1000 / 1200 - Time: 0.679 Solver_block: 1100 / 1200 - Time: 0.671 Solver_block: 1200 / 1200 - Time: 0.674 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.470 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 19236/19236 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:18:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:18:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.200139540030516 -2.523241215000001 0.000000000000000 b 5.200139540030516 2.523241215000001 0.000000000000000 c -1.629006902408391 0.000000000000000 21.430354800890996 Atomic positions (fractional): 1 Mn 0.51592045914279 0.11397726936854 0.18190817001983 54.938 2 Mn 0.95837386789719 0.19284990064506 0.42945233596676 54.938 3 Mn 0.80715009935494 0.04162613210281 0.07054766403324 54.938 4 Mn 0.88602273063146 0.48407954085721 0.31809182998017 54.938 5 Mn 0.19284990064506 0.95837386789719 0.92945233596676 54.938 6 Mn 0.11397726936854 0.51592045914279 0.68190817001983 54.938 7 Mn 0.04162613210281 0.80715009935494 0.57054766403324 54.938 8 Mn 0.48407954085721 0.88602273063146 0.81809182998017 54.938 9 P 0.95653422991372 0.99084917204194 0.17034847032425 30.974 10 P 0.41234226613214 0.03699389065850 0.45067626246706 30.974 11 P 0.63531933732384 0.43309782014583 0.80009383051626 30.974 12 P 0.56690217985417 0.36468066267616 0.69990616948374 30.974 13 P 0.96300610934150 0.58765773386786 0.04932373753294 30.974 14 P 0.50442245362071 0.34229199453172 0.42594540920624 30.974 15 P 0.63830006569177 0.82424945169955 0.91626602055304 30.974 16 P 0.90470622952718 0.24307754343067 0.53616178214356 30.974 17 P 0.71003781686633 0.94416633362078 0.28354115589591 30.974 18 P 0.34229199453172 0.50442245362071 0.92594540920624 30.974 19 P 0.99084917204194 0.95653422991372 0.67034847032425 30.974 20 P 0.65268113881307 0.66857776870466 0.16922771321705 30.974 21 P 0.34731886118693 0.33142223129534 0.83077228678295 30.974 22 P 0.66857776870466 0.65268113881307 0.66922771321705 30.974 23 P 0.04346577008628 0.00915082795806 0.82965152967575 30.974 24 P 0.43309782014582 0.63531933732383 0.30009383051625 30.974 25 P 0.17575054830046 0.36169993430823 0.58373397944696 30.974 26 P 0.33142223129534 0.34731886118693 0.33077228678296 30.974 27 P 0.24307754343067 0.90470622952718 0.03616178214356 30.974 28 P 0.09529377047282 0.75692245656933 0.46383821785644 30.974 29 P 0.05583366637922 0.28996218313367 0.21645884410409 30.974 30 P 0.94416633362078 0.71003781686633 0.78354115589591 30.974 31 P 0.28996218313367 0.05583366637922 0.71645884410409 30.974 32 P 0.36169993430823 0.17575054830045 0.08373397944696 30.974 33 P 0.00915082795806 0.04346577008628 0.32965152967575 30.974 34 P 0.36468066267616 0.56690217985418 0.19990616948375 30.974 35 P 0.82424945169954 0.63830006569177 0.41626602055304 30.974 36 P 0.49557754637929 0.65770800546828 0.57405459079376 30.974 37 P 0.75692245656933 0.09529377047282 0.96383821785644 30.974 38 P 0.03699389065850 0.41234226613214 0.95067626246706 30.974 39 P 0.58765773386786 0.96300610934150 0.54932373753294 30.974 40 P 0.65770800546828 0.49557754637929 0.07405459079377 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.400279080061033 0.000000000000000 0.000000000000000 b 0.000000000000000 5.046482430000001 0.000000000000000 c -1.629006902408391 0.000000000000000 21.430354800890996 Atomic positions (fractional): 1 Mn 0.31494886425566 0.79902840511288 0.18190817001983 54.938 > 1 2 Mn 0.07561188427113 0.11723801637394 0.42945233596676 54.938 > 2 3 Mn 0.42438811572887 0.61723801637394 0.07054766403324 54.938 > 3 4 Mn 0.18505113574434 0.29902840511288 0.31809182998017 54.938 > 4 5 Mn 0.07561188427113 0.88276198362606 0.92945233596676 54.938 > 5 6 Mn 0.31494886425566 0.20097159488712 0.68190817001983 54.938 > 6 7 Mn 0.42438811572887 0.38276198362606 0.57054766403324 54.938 > 7 8 Mn 0.18505113574434 0.70097159488712 0.81809182998017 54.938 > 8 9 Mn 0.81494886425566 0.29902840511288 0.18190817001983 54.938 > 1 10 Mn 0.57561188427113 0.61723801637394 0.42945233596676 54.938 > 2 11 Mn 0.92438811572887 0.11723801637394 0.07054766403324 54.938 > 3 12 Mn 0.68505113574434 0.79902840511288 0.31809182998017 54.938 > 4 13 Mn 0.57561188427113 0.38276198362606 0.92945233596676 54.938 > 5 14 Mn 0.81494886425566 0.70097159488712 0.68190817001983 54.938 > 6 15 Mn 0.92438811572887 0.88276198362606 0.57054766403324 54.938 > 7 16 Mn 0.68505113574434 0.20097159488712 0.81809182998017 54.938 > 8 17 P 0.47369170097783 0.51715747106411 0.17034847032425 30.974 > 17 18 P 0.22466807839532 0.81232581226318 0.45067626246706 30.974 > 18 19 P 0.03420857873483 0.39888924141100 0.80009383051626 30.974 > 19 20 P 0.46579142126517 0.89888924141100 0.69990616948374 30.974 > 20 21 P 0.27533192160468 0.31232581226318 0.04932373753294 30.974 > 21 22 P 0.42335722407621 0.91893477045551 0.42594540920624 30.974 > 22 23 P 0.23127475869566 0.59297469300389 0.91626602055304 30.974 > 23 24 P 0.07389188647893 0.16918565695174 0.53616178214356 30.974 > 24 25 P 0.32710207524356 0.61706425837722 0.28354115589591 30.974 > 25 26 P 0.42335722407621 0.08106522954449 0.92594540920624 30.974 > 26 27 P 0.47369170097783 0.48284252893590 0.67034847032425 30.974 > 27 28 P 0.16062945375886 0.50794831494579 0.16922771321705 30.974 > 28 29 P 0.33937054624114 0.99205168505421 0.83077228678295 30.974 > 29 30 P 0.16062945375886 0.49205168505421 0.66922771321705 30.974 > 30 31 P 0.02630829902217 0.98284252893589 0.82965152967575 30.974 > 31 32 P 0.03420857873483 0.60111075858900 0.30009383051625 30.974 > 32 33 P 0.26872524130434 0.09297469300389 0.58373397944696 30.974 > 33 34 P 0.33937054624114 0.00794831494579 0.33077228678296 30.974 > 34 35 P 0.07389188647893 0.83081434304826 0.03616178214356 30.974 > 35 36 P 0.42610811352108 0.33081434304826 0.46383821785644 30.974 > 36 37 P 0.17289792475644 0.11706425837722 0.21645884410409 30.974 > 37 38 P 0.32710207524356 0.38293574162278 0.78354115589591 30.974 > 38 39 P 0.17289792475644 0.88293574162278 0.71645884410409 30.974 > 39 40 P 0.26872524130434 0.90702530699611 0.08373397944696 30.974 > 40 41 P 0.02630829902217 0.01715747106410 0.32965152967575 30.974 > 41 42 P 0.46579142126517 0.10111075858901 0.19990616948375 30.974 > 42 43 P 0.23127475869566 0.40702530699611 0.41626602055304 30.974 > 43 44 P 0.07664277592379 0.58106522954449 0.57405459079376 30.974 > 44 45 P 0.42610811352108 0.66918565695174 0.96383821785644 30.974 > 45 46 P 0.22466807839532 0.18767418773682 0.95067626246706 30.974 > 46 47 P 0.27533192160468 0.68767418773682 0.54932373753294 30.974 > 47 48 P 0.07664277592379 0.41893477045551 0.07405459079377 30.974 > 48 49 P 0.97369170097783 0.01715747106410 0.17034847032425 30.974 > 17 50 P 0.72466807839532 0.31232581226318 0.45067626246706 30.974 > 18 51 P 0.53420857873483 0.89888924141100 0.80009383051626 30.974 > 19 52 P 0.96579142126517 0.39888924141100 0.69990616948374 30.974 > 20 53 P 0.77533192160468 0.81232581226318 0.04932373753294 30.974 > 21 54 P 0.92335722407621 0.41893477045551 0.42594540920624 30.974 > 22 55 P 0.73127475869566 0.09297469300389 0.91626602055304 30.974 > 23 56 P 0.57389188647892 0.66918565695174 0.53616178214356 30.974 > 24 57 P 0.82710207524355 0.11706425837722 0.28354115589591 30.974 > 25 58 P 0.92335722407621 0.58106522954449 0.92594540920624 30.974 > 26 59 P 0.97369170097783 0.98284252893589 0.67034847032425 30.974 > 27 60 P 0.66062945375886 0.00794831494579 0.16922771321705 30.974 > 28 61 P 0.83937054624114 0.49205168505421 0.83077228678295 30.974 > 29 62 P 0.66062945375886 0.99205168505421 0.66922771321705 30.974 > 30 63 P 0.52630829902217 0.48284252893590 0.82965152967575 30.974 > 31 64 P 0.53420857873483 0.10111075858901 0.30009383051625 30.974 > 32 65 P 0.76872524130434 0.59297469300389 0.58373397944696 30.974 > 33 66 P 0.83937054624114 0.50794831494579 0.33077228678296 30.974 > 34 67 P 0.57389188647892 0.33081434304826 0.03616178214356 30.974 > 35 68 P 0.92610811352108 0.83081434304826 0.46383821785644 30.974 > 36 69 P 0.67289792475645 0.61706425837722 0.21645884410409 30.974 > 37 70 P 0.82710207524355 0.88293574162278 0.78354115589591 30.974 > 38 71 P 0.67289792475645 0.38293574162278 0.71645884410409 30.974 > 39 72 P 0.76872524130434 0.40702530699611 0.08373397944696 30.974 > 40 73 P 0.52630829902217 0.51715747106411 0.32965152967575 30.974 > 41 74 P 0.96579142126517 0.60111075858900 0.19990616948375 30.974 > 42 75 P 0.73127475869566 0.90702530699611 0.41626602055304 30.974 > 43 76 P 0.57664277592379 0.08106522954449 0.57405459079376 30.974 > 44 77 P 0.92610811352108 0.16918565695174 0.96383821785644 30.974 > 45 78 P 0.72466807839532 0.68767418773682 0.95067626246706 30.974 > 46 79 P 0.77533192160468 0.18767418773682 0.54932373753294 30.974 > 47 80 P 0.57664277592379 0.91893477045551 0.07405459079377 30.974 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.6719222 0.0000000 0.0925741 0.0000000 19.4560949 0.0000000 0.0925925 0.0000000 20.5567111 -------------------------- Born effective charges -------------------------- 1 Mn -7.0073964 -0.5190546 -0.0432938 -0.0422169 -6.1532004 -0.8293900 -0.0657304 -0.2327385 -7.2535116 2 Mn -6.7653714 0.0862091 -0.4047221 0.0448653 -6.3225820 -0.1239741 -0.4288915 -0.1993999 -6.3315938 3 Mn -6.7653714 -0.0862091 -0.4047221 -0.0448653 -6.3225820 0.1239741 -0.4288915 0.1993999 -6.3315938 4 Mn -7.0073964 0.5190546 -0.0432938 0.0422169 -6.1532004 0.8293900 -0.0657304 0.2327385 -7.2535116 5 Mn -6.7653714 -0.0862091 -0.4047221 -0.0448653 -6.3225820 0.1239741 -0.4288915 0.1993999 -6.3315938 6 Mn -7.0073964 0.5190546 -0.0432938 0.0422169 -6.1532004 0.8293900 -0.0657304 0.2327385 -7.2535116 7 Mn -6.7653714 0.0862091 -0.4047221 0.0448653 -6.3225820 -0.1239741 -0.4288915 -0.1993999 -6.3315938 8 Mn -7.0073964 -0.5190546 -0.0432938 -0.0422169 -6.1532004 -0.8293900 -0.0657304 -0.2327385 -7.2535116 9 P 2.2948589 -0.6951110 0.1102851 -0.2899501 2.2403835 0.1274962 -0.0108404 -0.1076009 2.2557260 10 P 1.5275073 -0.8570077 0.0883989 -0.4319518 1.2119294 -0.2536685 0.1283148 -0.4683028 0.9111865 11 P 1.5341725 0.9687069 0.2190089 0.2703868 1.0907827 0.1577003 0.2462596 -0.0782357 0.8748822 12 P 1.5341725 -0.9687069 0.2190089 -0.2703868 1.0907827 -0.1577003 0.2462596 0.0782357 0.8748822 13 P 1.5275073 0.8570077 0.0883989 0.4319518 1.2119294 0.2536685 0.1283148 0.4683028 0.9111865 14 P 1.5691289 -0.8784259 -0.0040528 -0.3018949 1.2989475 0.2039095 0.2680685 -0.2931745 0.5771686 15 P 1.9651498 -0.6245986 0.2076681 -0.2008820 1.9524254 -0.1873479 0.2309741 -0.4745888 2.4294771 16 P 1.6919217 0.8701517 0.0292228 0.4174018 1.9100280 -0.0892442 -0.4295482 0.2308765 2.5551127 17 P 1.7695104 0.8091408 -0.1829689 0.4410683 1.7680579 0.2086988 -0.1853046 -0.0495553 2.7149324 18 P 1.5691289 0.8784259 -0.0040528 0.3018949 1.2989475 -0.2039095 0.2680685 0.2931745 0.5771686 19 P 2.2948589 0.6951110 0.1102851 0.2899501 2.2403835 -0.1274962 -0.0108404 0.1076009 2.2557260 20 P 1.4205183 0.8677334 -0.0195461 0.5560274 1.0032281 -0.1708606 0.2466981 -0.1061472 1.2666199 21 P 1.4205183 0.8677334 -0.0195461 0.5560274 1.0032281 -0.1708606 0.2466981 -0.1061472 1.2666199 22 P 1.4205183 -0.8677334 -0.0195461 -0.5560274 1.0032281 0.1708606 0.2466981 0.1061472 1.2666199 23 P 2.2948589 -0.6951110 0.1102851 -0.2899501 2.2403835 0.1274962 -0.0108404 -0.1076009 2.2557260 24 P 1.5341725 -0.9687069 0.2190089 -0.2703868 1.0907827 -0.1577003 0.2462596 0.0782357 0.8748822 25 P 1.9651498 0.6245986 0.2076681 0.2008820 1.9524254 0.1873479 0.2309741 0.4745888 2.4294771 26 P 1.4205183 -0.8677334 -0.0195461 -0.5560274 1.0032281 0.1708606 0.2466981 0.1061472 1.2666199 27 P 1.6919217 -0.8701517 0.0292228 -0.4174018 1.9100280 0.0892442 -0.4295482 -0.2308765 2.5551127 28 P 1.6919217 0.8701517 0.0292228 0.4174018 1.9100280 -0.0892442 -0.4295482 0.2308765 2.5551127 29 P 1.7695104 -0.8091408 -0.1829689 -0.4410683 1.7680579 -0.2086988 -0.1853046 0.0495553 2.7149324 30 P 1.7695104 -0.8091408 -0.1829689 -0.4410683 1.7680579 -0.2086988 -0.1853046 0.0495553 2.7149324 31 P 1.7695104 0.8091408 -0.1829689 0.4410683 1.7680579 0.2086988 -0.1853046 -0.0495553 2.7149324 32 P 1.9651498 -0.6245986 0.2076681 -0.2008820 1.9524254 -0.1873479 0.2309741 -0.4745888 2.4294771 33 P 2.2948589 0.6951110 0.1102851 0.2899501 2.2403835 -0.1274962 -0.0108404 0.1076009 2.2557260 34 P 1.5341725 0.9687069 0.2190089 0.2703868 1.0907827 0.1577003 0.2462596 -0.0782357 0.8748822 35 P 1.9651498 0.6245986 0.2076681 0.2008820 1.9524254 0.1873479 0.2309741 0.4745888 2.4294771 36 P 1.5691289 -0.8784259 -0.0040528 -0.3018949 1.2989475 0.2039095 0.2680685 -0.2931745 0.5771686 37 P 1.6919217 -0.8701517 0.0292228 -0.4174018 1.9100280 0.0892442 -0.4295482 -0.2308765 2.5551127 38 P 1.5275073 0.8570077 0.0883989 0.4319518 1.2119294 0.2536685 0.1283148 0.4683028 0.9111865 39 P 1.5275073 -0.8570077 0.0883989 -0.4319518 1.2119294 -0.2536685 0.1283148 -0.4683028 0.9111865 40 P 1.5691289 0.8784259 -0.0040528 0.3018949 1.2989475 -0.2039095 0.2680685 0.2931745 0.5771686 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 2, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 18, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 22, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 24, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:18:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:18:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.200139540030516 -2.523241215000001 0.000000000000000 b 5.200139540030516 2.523241215000001 0.000000000000000 c -1.629006902408391 0.000000000000000 21.430354800890996 Atomic positions (fractional): 1 Mn 0.51592045914279 0.11397726936854 0.18190817001983 54.938 2 Mn 0.95837386789719 0.19284990064506 0.42945233596676 54.938 3 Mn 0.80715009935494 0.04162613210281 0.07054766403324 54.938 4 Mn 0.88602273063146 0.48407954085721 0.31809182998017 54.938 5 Mn 0.19284990064506 0.95837386789719 0.92945233596676 54.938 6 Mn 0.11397726936854 0.51592045914279 0.68190817001983 54.938 7 Mn 0.04162613210281 0.80715009935494 0.57054766403324 54.938 8 Mn 0.48407954085721 0.88602273063146 0.81809182998017 54.938 9 P 0.95653422991372 0.99084917204194 0.17034847032425 30.974 10 P 0.41234226613214 0.03699389065850 0.45067626246706 30.974 11 P 0.63531933732384 0.43309782014583 0.80009383051626 30.974 12 P 0.56690217985417 0.36468066267616 0.69990616948374 30.974 13 P 0.96300610934150 0.58765773386786 0.04932373753294 30.974 14 P 0.50442245362071 0.34229199453172 0.42594540920624 30.974 15 P 0.63830006569177 0.82424945169955 0.91626602055304 30.974 16 P 0.90470622952718 0.24307754343067 0.53616178214356 30.974 17 P 0.71003781686633 0.94416633362078 0.28354115589591 30.974 18 P 0.34229199453172 0.50442245362071 0.92594540920624 30.974 19 P 0.99084917204194 0.95653422991372 0.67034847032425 30.974 20 P 0.65268113881307 0.66857776870466 0.16922771321705 30.974 21 P 0.34731886118693 0.33142223129534 0.83077228678295 30.974 22 P 0.66857776870466 0.65268113881307 0.66922771321705 30.974 23 P 0.04346577008628 0.00915082795806 0.82965152967575 30.974 24 P 0.43309782014582 0.63531933732383 0.30009383051625 30.974 25 P 0.17575054830046 0.36169993430823 0.58373397944696 30.974 26 P 0.33142223129534 0.34731886118693 0.33077228678296 30.974 27 P 0.24307754343067 0.90470622952718 0.03616178214356 30.974 28 P 0.09529377047282 0.75692245656933 0.46383821785644 30.974 29 P 0.05583366637922 0.28996218313367 0.21645884410409 30.974 30 P 0.94416633362078 0.71003781686633 0.78354115589591 30.974 31 P 0.28996218313367 0.05583366637922 0.71645884410409 30.974 32 P 0.36169993430823 0.17575054830045 0.08373397944696 30.974 33 P 0.00915082795806 0.04346577008628 0.32965152967575 30.974 34 P 0.36468066267616 0.56690217985418 0.19990616948375 30.974 35 P 0.82424945169954 0.63830006569177 0.41626602055304 30.974 36 P 0.49557754637929 0.65770800546828 0.57405459079376 30.974 37 P 0.75692245656933 0.09529377047282 0.96383821785644 30.974 38 P 0.03699389065850 0.41234226613214 0.95067626246706 30.974 39 P 0.58765773386786 0.96300610934150 0.54932373753294 30.974 40 P 0.65770800546828 0.49557754637929 0.07405459079377 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.400279080061033 0.000000000000000 0.000000000000000 b 0.000000000000000 5.046482430000001 0.000000000000000 c -1.629006902408391 0.000000000000000 21.430354800890996 Atomic positions (fractional): 1 Mn 0.31494886425566 0.79902840511288 0.18190817001983 54.938 > 1 2 Mn 0.07561188427113 0.11723801637394 0.42945233596676 54.938 > 2 3 Mn 0.42438811572887 0.61723801637394 0.07054766403324 54.938 > 3 4 Mn 0.18505113574434 0.29902840511288 0.31809182998017 54.938 > 4 5 Mn 0.07561188427113 0.88276198362606 0.92945233596676 54.938 > 5 6 Mn 0.31494886425566 0.20097159488712 0.68190817001983 54.938 > 6 7 Mn 0.42438811572887 0.38276198362606 0.57054766403324 54.938 > 7 8 Mn 0.18505113574434 0.70097159488712 0.81809182998017 54.938 > 8 9 Mn 0.81494886425566 0.29902840511288 0.18190817001983 54.938 > 1 10 Mn 0.57561188427113 0.61723801637394 0.42945233596676 54.938 > 2 11 Mn 0.92438811572887 0.11723801637394 0.07054766403324 54.938 > 3 12 Mn 0.68505113574434 0.79902840511288 0.31809182998017 54.938 > 4 13 Mn 0.57561188427113 0.38276198362606 0.92945233596676 54.938 > 5 14 Mn 0.81494886425566 0.70097159488712 0.68190817001983 54.938 > 6 15 Mn 0.92438811572887 0.88276198362606 0.57054766403324 54.938 > 7 16 Mn 0.68505113574434 0.20097159488712 0.81809182998017 54.938 > 8 17 P 0.47369170097783 0.51715747106411 0.17034847032425 30.974 > 17 18 P 0.22466807839532 0.81232581226318 0.45067626246706 30.974 > 18 19 P 0.03420857873483 0.39888924141100 0.80009383051626 30.974 > 19 20 P 0.46579142126517 0.89888924141100 0.69990616948374 30.974 > 20 21 P 0.27533192160468 0.31232581226318 0.04932373753294 30.974 > 21 22 P 0.42335722407621 0.91893477045551 0.42594540920624 30.974 > 22 23 P 0.23127475869566 0.59297469300389 0.91626602055304 30.974 > 23 24 P 0.07389188647893 0.16918565695174 0.53616178214356 30.974 > 24 25 P 0.32710207524356 0.61706425837722 0.28354115589591 30.974 > 25 26 P 0.42335722407621 0.08106522954449 0.92594540920624 30.974 > 26 27 P 0.47369170097783 0.48284252893590 0.67034847032425 30.974 > 27 28 P 0.16062945375886 0.50794831494579 0.16922771321705 30.974 > 28 29 P 0.33937054624114 0.99205168505421 0.83077228678295 30.974 > 29 30 P 0.16062945375886 0.49205168505421 0.66922771321705 30.974 > 30 31 P 0.02630829902217 0.98284252893589 0.82965152967575 30.974 > 31 32 P 0.03420857873483 0.60111075858900 0.30009383051625 30.974 > 32 33 P 0.26872524130434 0.09297469300389 0.58373397944696 30.974 > 33 34 P 0.33937054624114 0.00794831494579 0.33077228678296 30.974 > 34 35 P 0.07389188647893 0.83081434304826 0.03616178214356 30.974 > 35 36 P 0.42610811352108 0.33081434304826 0.46383821785644 30.974 > 36 37 P 0.17289792475644 0.11706425837722 0.21645884410409 30.974 > 37 38 P 0.32710207524356 0.38293574162278 0.78354115589591 30.974 > 38 39 P 0.17289792475644 0.88293574162278 0.71645884410409 30.974 > 39 40 P 0.26872524130434 0.90702530699611 0.08373397944696 30.974 > 40 41 P 0.02630829902217 0.01715747106410 0.32965152967575 30.974 > 41 42 P 0.46579142126517 0.10111075858901 0.19990616948375 30.974 > 42 43 P 0.23127475869566 0.40702530699611 0.41626602055304 30.974 > 43 44 P 0.07664277592379 0.58106522954449 0.57405459079376 30.974 > 44 45 P 0.42610811352108 0.66918565695174 0.96383821785644 30.974 > 45 46 P 0.22466807839532 0.18767418773682 0.95067626246706 30.974 > 46 47 P 0.27533192160468 0.68767418773682 0.54932373753294 30.974 > 47 48 P 0.07664277592379 0.41893477045551 0.07405459079377 30.974 > 48 49 P 0.97369170097783 0.01715747106410 0.17034847032425 30.974 > 17 50 P 0.72466807839532 0.31232581226318 0.45067626246706 30.974 > 18 51 P 0.53420857873483 0.89888924141100 0.80009383051626 30.974 > 19 52 P 0.96579142126517 0.39888924141100 0.69990616948374 30.974 > 20 53 P 0.77533192160468 0.81232581226318 0.04932373753294 30.974 > 21 54 P 0.92335722407621 0.41893477045551 0.42594540920624 30.974 > 22 55 P 0.73127475869566 0.09297469300389 0.91626602055304 30.974 > 23 56 P 0.57389188647892 0.66918565695174 0.53616178214356 30.974 > 24 57 P 0.82710207524355 0.11706425837722 0.28354115589591 30.974 > 25 58 P 0.92335722407621 0.58106522954449 0.92594540920624 30.974 > 26 59 P 0.97369170097783 0.98284252893589 0.67034847032425 30.974 > 27 60 P 0.66062945375886 0.00794831494579 0.16922771321705 30.974 > 28 61 P 0.83937054624114 0.49205168505421 0.83077228678295 30.974 > 29 62 P 0.66062945375886 0.99205168505421 0.66922771321705 30.974 > 30 63 P 0.52630829902217 0.48284252893590 0.82965152967575 30.974 > 31 64 P 0.53420857873483 0.10111075858901 0.30009383051625 30.974 > 32 65 P 0.76872524130434 0.59297469300389 0.58373397944696 30.974 > 33 66 P 0.83937054624114 0.50794831494579 0.33077228678296 30.974 > 34 67 P 0.57389188647892 0.33081434304826 0.03616178214356 30.974 > 35 68 P 0.92610811352108 0.83081434304826 0.46383821785644 30.974 > 36 69 P 0.67289792475645 0.61706425837722 0.21645884410409 30.974 > 37 70 P 0.82710207524355 0.88293574162278 0.78354115589591 30.974 > 38 71 P 0.67289792475645 0.38293574162278 0.71645884410409 30.974 > 39 72 P 0.76872524130434 0.40702530699611 0.08373397944696 30.974 > 40 73 P 0.52630829902217 0.51715747106411 0.32965152967575 30.974 > 41 74 P 0.96579142126517 0.60111075858900 0.19990616948375 30.974 > 42 75 P 0.73127475869566 0.90702530699611 0.41626602055304 30.974 > 43 76 P 0.57664277592379 0.08106522954449 0.57405459079376 30.974 > 44 77 P 0.92610811352108 0.16918565695174 0.96383821785644 30.974 > 45 78 P 0.72466807839532 0.68767418773682 0.95067626246706 30.974 > 46 79 P 0.77533192160468 0.18767418773682 0.54932373753294 30.974 > 47 80 P 0.57664277592379 0.91893477045551 0.07405459079377 30.974 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 19.6719222 0.0000000 0.0925741 0.0000000 19.4560949 0.0000000 0.0925925 0.0000000 20.5567111 -------------------------- Born effective charges -------------------------- 1 Mn -7.0073964 -0.5190546 -0.0432938 -0.0422169 -6.1532004 -0.8293900 -0.0657304 -0.2327385 -7.2535116 2 Mn -6.7653714 0.0862091 -0.4047221 0.0448653 -6.3225820 -0.1239741 -0.4288915 -0.1993999 -6.3315938 3 Mn -6.7653714 -0.0862091 -0.4047221 -0.0448653 -6.3225820 0.1239741 -0.4288915 0.1993999 -6.3315938 4 Mn -7.0073964 0.5190546 -0.0432938 0.0422169 -6.1532004 0.8293900 -0.0657304 0.2327385 -7.2535116 5 Mn -6.7653714 -0.0862091 -0.4047221 -0.0448653 -6.3225820 0.1239741 -0.4288915 0.1993999 -6.3315938 6 Mn -7.0073964 0.5190546 -0.0432938 0.0422169 -6.1532004 0.8293900 -0.0657304 0.2327385 -7.2535116 7 Mn -6.7653714 0.0862091 -0.4047221 0.0448653 -6.3225820 -0.1239741 -0.4288915 -0.1993999 -6.3315938 8 Mn -7.0073964 -0.5190546 -0.0432938 -0.0422169 -6.1532004 -0.8293900 -0.0657304 -0.2327385 -7.2535116 9 P 2.2948589 -0.6951110 0.1102851 -0.2899501 2.2403835 0.1274962 -0.0108404 -0.1076009 2.2557260 10 P 1.5275073 -0.8570077 0.0883989 -0.4319518 1.2119294 -0.2536685 0.1283148 -0.4683028 0.9111865 11 P 1.5341725 0.9687069 0.2190089 0.2703868 1.0907827 0.1577003 0.2462596 -0.0782357 0.8748822 12 P 1.5341725 -0.9687069 0.2190089 -0.2703868 1.0907827 -0.1577003 0.2462596 0.0782357 0.8748822 13 P 1.5275073 0.8570077 0.0883989 0.4319518 1.2119294 0.2536685 0.1283148 0.4683028 0.9111865 14 P 1.5691289 -0.8784259 -0.0040528 -0.3018949 1.2989475 0.2039095 0.2680685 -0.2931745 0.5771686 15 P 1.9651498 -0.6245986 0.2076681 -0.2008820 1.9524254 -0.1873479 0.2309741 -0.4745888 2.4294771 16 P 1.6919217 0.8701517 0.0292228 0.4174018 1.9100280 -0.0892442 -0.4295482 0.2308765 2.5551127 17 P 1.7695104 0.8091408 -0.1829689 0.4410683 1.7680579 0.2086988 -0.1853046 -0.0495553 2.7149324 18 P 1.5691289 0.8784259 -0.0040528 0.3018949 1.2989475 -0.2039095 0.2680685 0.2931745 0.5771686 19 P 2.2948589 0.6951110 0.1102851 0.2899501 2.2403835 -0.1274962 -0.0108404 0.1076009 2.2557260 20 P 1.4205183 0.8677334 -0.0195461 0.5560274 1.0032281 -0.1708606 0.2466981 -0.1061472 1.2666199 21 P 1.4205183 0.8677334 -0.0195461 0.5560274 1.0032281 -0.1708606 0.2466981 -0.1061472 1.2666199 22 P 1.4205183 -0.8677334 -0.0195461 -0.5560274 1.0032281 0.1708606 0.2466981 0.1061472 1.2666199 23 P 2.2948589 -0.6951110 0.1102851 -0.2899501 2.2403835 0.1274962 -0.0108404 -0.1076009 2.2557260 24 P 1.5341725 -0.9687069 0.2190089 -0.2703868 1.0907827 -0.1577003 0.2462596 0.0782357 0.8748822 25 P 1.9651498 0.6245986 0.2076681 0.2008820 1.9524254 0.1873479 0.2309741 0.4745888 2.4294771 26 P 1.4205183 -0.8677334 -0.0195461 -0.5560274 1.0032281 0.1708606 0.2466981 0.1061472 1.2666199 27 P 1.6919217 -0.8701517 0.0292228 -0.4174018 1.9100280 0.0892442 -0.4295482 -0.2308765 2.5551127 28 P 1.6919217 0.8701517 0.0292228 0.4174018 1.9100280 -0.0892442 -0.4295482 0.2308765 2.5551127 29 P 1.7695104 -0.8091408 -0.1829689 -0.4410683 1.7680579 -0.2086988 -0.1853046 0.0495553 2.7149324 30 P 1.7695104 -0.8091408 -0.1829689 -0.4410683 1.7680579 -0.2086988 -0.1853046 0.0495553 2.7149324 31 P 1.7695104 0.8091408 -0.1829689 0.4410683 1.7680579 0.2086988 -0.1853046 -0.0495553 2.7149324 32 P 1.9651498 -0.6245986 0.2076681 -0.2008820 1.9524254 -0.1873479 0.2309741 -0.4745888 2.4294771 33 P 2.2948589 0.6951110 0.1102851 0.2899501 2.2403835 -0.1274962 -0.0108404 0.1076009 2.2557260 34 P 1.5341725 0.9687069 0.2190089 0.2703868 1.0907827 0.1577003 0.2462596 -0.0782357 0.8748822 35 P 1.9651498 0.6245986 0.2076681 0.2008820 1.9524254 0.1873479 0.2309741 0.4745888 2.4294771 36 P 1.5691289 -0.8784259 -0.0040528 -0.3018949 1.2989475 0.2039095 0.2680685 -0.2931745 0.5771686 37 P 1.6919217 -0.8701517 0.0292228 -0.4174018 1.9100280 0.0892442 -0.4295482 -0.2308765 2.5551127 38 P 1.5275073 0.8570077 0.0883989 0.4319518 1.2119294 0.2536685 0.1283148 0.4683028 0.9111865 39 P 1.5275073 -0.8570077 0.0883989 -0.4319518 1.2119294 -0.2536685 0.1283148 -0.4683028 0.9111865 40 P 1.5691289 0.8784259 -0.0040528 0.3018949 1.2989475 -0.2039095 0.2680685 0.2931745 0.5771686 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 2 ] 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: 0.50, Number of G-points: 295, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.693 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.603 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.190 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.392 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.553 ( 0.000 0.000 0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 8.887 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 9.342 ( 0.000 0.000 0.000) 0.000 9.381 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.802 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 10.201 ( 0.000 0.000 0.000) 0.000 10.283 ( 0.000 0.000 0.000) 0.000 10.364 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 10.539 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 10.847 ( 0.000 0.000 0.000) 0.000 10.872 ( 0.000 0.000 0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 10.954 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 11.239 ( 0.000 0.000 0.000) 0.000 11.279 ( 0.000 0.000 0.000) 0.000 11.453 ( 0.000 0.000 0.000) 0.000 11.469 ( 0.000 0.000 0.000) 0.000 11.937 ( 0.000 0.000 0.000) 0.000 12.036 ( 0.000 0.000 0.000) 0.000 12.052 ( 0.000 0.000 0.000) 0.000 12.239 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 12.713 ( 0.000 0.000 0.000) 0.000 12.723 ( 0.000 0.000 0.000) 0.000 12.765 ( 0.000 0.000 0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 12.836 ( 0.000 0.000 0.000) 0.000 12.908 ( 0.000 0.000 0.000) 0.000 13.014 ( 0.000 0.000 0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 13.066 ( 0.000 0.000 0.000) 0.000 13.073 ( 0.000 0.000 0.000) 0.000 13.123 ( 0.000 0.000 0.000) 0.000 13.132 ( 0.000 0.000 0.000) 0.000 13.270 ( 0.000 0.000 0.000) 0.000 13.369 ( 0.000 0.000 0.000) 0.000 13.445 ( 0.000 0.000 0.000) 0.000 13.493 ( 0.000 0.000 0.000) 0.000 13.572 ( 0.000 0.000 0.000) 0.000 13.618 ( 0.000 0.000 0.000) 0.000 13.625 ( 0.000 0.000 0.000) 0.000 13.668 ( 0.000 0.000 0.000) 0.000 13.687 ( 0.000 0.000 0.000) 0.000 13.866 ( 0.000 0.000 0.000) 0.000 13.909 ( 0.000 0.000 0.000) 0.000 13.946 ( 0.000 0.000 0.000) 0.000 14.007 ( 0.000 0.000 0.000) 0.000 14.378 ( 0.000 0.000 0.000) 0.000 14.476 ( 0.000 0.000 0.000) 0.000 14.790 ( 0.000 0.000 0.000) 0.000 14.889 ( 0.000 0.000 0.000) 0.000 14.987 ( 0.000 0.000 0.000) 0.000 15.018 ( 0.000 0.000 0.000) 0.000 15.394 ( 0.000 0.000 0.000) 0.000 15.410 ( 0.000 0.000 0.000) 0.000 15.432 ( 0.000 0.000 0.000) 0.000 15.464 ( 0.000 0.000 0.000) 0.000 15.787 ( 0.000 0.000 0.000) 0.000 15.848 ( 0.000 0.000 0.000) 0.000 16.182 ( 0.000 0.000 0.000) 0.000 16.246 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 19.963 -39.300 4.195) 44.278 1.172 ( 38.197 -46.011 2.665) 59.859 1.446 ( 35.231 -61.010 5.452) 70.663 2.380 ( 19.203 -19.921 -4.176) 27.983 2.443 ( 17.695 -20.367 3.447) 27.199 2.467 ( 13.968 -24.702 -29.195) 40.714 2.556 ( 13.717 -23.771 28.892) 39.849 3.827 ( 5.984 -12.623 -29.454) 32.599 3.937 ( 7.273 -17.318 -0.867) 18.803 3.964 ( 11.318 -10.694 0.242) 15.573 4.059 ( 7.762 -12.449 2.695) 14.916 4.199 ( 10.437 -12.120 -1.975) 16.116 4.393 ( 7.751 -15.238 24.471) 29.851 4.698 ( 5.759 -12.507 1.241) 13.825 4.743 ( 4.844 -15.588 -1.149) 16.364 4.945 ( 5.929 -13.133 2.161) 14.570 5.317 ( 10.277 -7.028 -2.429) 12.685 5.435 ( 8.943 -7.789 4.286) 12.610 5.795 ( 8.785 -6.520 -0.611) 10.957 5.982 ( 0.865 3.573 -4.053) 5.471 6.415 ( -11.483 4.460 11.082) 16.571 6.664 ( -3.527 4.250 -3.753) 6.678 6.702 ( -7.787 1.790 -0.231) 7.993 6.773 ( 1.614 4.240 -8.498) 9.633 6.895 ( -2.691 1.916 -4.483) 5.569 6.956 ( -0.176 -0.921 -2.005) 2.214 7.093 ( 1.800 -1.220 -2.263) 3.139 7.255 ( 11.040 0.916 4.100) 11.812 7.601 ( -2.688 0.487 4.451) 5.223 7.712 ( -12.939 3.501 -0.111) 13.405 7.860 ( -6.668 9.014 -3.932) 11.882 7.923 ( -6.276 7.095 -1.624) 9.610 8.025 ( 5.829 4.796 3.500) 8.320 8.149 ( -14.260 -1.228 10.919) 18.002 8.303 ( -8.551 -0.414 -6.817) 10.943 8.399 ( -6.662 6.246 -3.265) 9.698 8.445 ( -3.328 3.891 2.014) 5.502 8.451 ( -1.304 1.507 0.762) 2.134 8.537 ( 2.613 3.012 -0.272) 3.997 8.586 ( -1.479 1.710 -0.897) 2.432 8.647 ( -4.449 4.116 -1.361) 6.212 8.823 ( -1.869 3.095 0.750) 3.693 8.873 ( -9.159 2.342 1.311) 9.544 9.014 ( 4.693 -0.590 2.049) 5.155 9.089 ( 3.117 7.762 1.057) 8.431 9.131 ( -6.997 7.046 0.625) 9.950 9.257 ( -0.694 8.436 0.382) 8.473 9.305 ( 5.113 8.626 -2.748) 10.397 9.327 ( -4.256 3.281 -3.071) 6.189 9.506 ( 7.296 0.795 -1.507) 7.493 9.544 ( 4.410 2.812 2.394) 5.752 9.718 ( -1.761 5.044 1.511) 5.552 9.757 ( -1.171 3.673 0.508) 3.889 9.856 ( -0.827 -3.186 -0.094) 3.293 10.004 ( 0.901 -5.070 -2.758) 5.841 10.198 ( -3.777 -1.121 -3.513) 5.278 10.259 ( 4.504 7.437 -0.792) 8.730 10.315 ( 0.720 3.909 3.105) 5.044 10.409 ( 0.861 4.247 -2.268) 4.891 10.525 ( 0.187 2.628 3.666) 4.515 10.604 ( -0.045 -0.836 -0.535) 0.993 10.690 ( 0.626 9.631 -2.411) 9.948 10.740 ( -0.821 2.740 -0.315) 2.878 10.844 ( 0.912 2.578 3.627) 4.543 10.885 ( 5.390 4.645 -2.855) 7.667 10.914 ( 3.937 1.715 1.965) 4.722 10.996 ( -0.994 -2.088 -1.665) 2.850 11.014 ( 0.205 -1.579 -0.475) 1.662 11.122 ( -0.950 1.455 0.945) 1.978 11.205 ( 1.295 5.339 0.437) 5.511 11.240 ( -0.860 3.796 -1.171) 4.065 11.382 ( 0.743 7.728 0.393) 7.774 11.871 ( -12.502 2.734 -1.791) 12.923 11.894 ( -6.269 1.379 1.093) 6.512 12.061 ( 0.565 4.155 4.641) 6.255 12.169 ( -5.088 5.869 1.973) 8.014 12.248 ( 2.828 5.492 1.366) 6.327 12.309 ( -7.031 5.101 -9.368) 12.776 12.403 ( -5.277 1.047 -3.192) 6.256 12.477 ( -0.653 0.939 0.042) 1.144 12.727 ( -0.862 -2.556 -0.291) 2.713 12.747 ( -1.030 -3.457 -0.331) 3.622 12.765 ( -0.266 -5.400 -0.003) 5.407 12.788 ( -0.343 -2.042 -0.815) 2.225 12.825 ( -2.194 -1.978 0.231) 2.963 12.857 ( -0.728 -2.658 1.183) 3.000 12.932 ( 0.381 -1.885 1.298) 2.320 13.011 ( -0.089 0.477 -0.153) 0.509 13.045 ( -1.987 -1.578 0.711) 2.635 13.066 ( -0.704 0.003 -1.566) 1.717 13.092 ( 2.073 -0.079 -1.068) 2.334 13.137 ( 1.186 -0.677 1.330) 1.906 13.190 ( 3.554 0.737 4.948) 6.137 13.282 ( -1.783 -1.918 -2.594) 3.686 13.364 ( 1.375 0.206 1.033) 1.732 13.472 ( 0.084 -2.397 -1.597) 2.881 13.490 ( -2.038 0.434 -0.705) 2.200 13.560 ( -2.504 -1.960 1.082) 3.359 13.624 ( 0.961 0.100 -0.362) 1.031 13.631 ( 1.299 -0.676 0.158) 1.473 13.662 ( 3.525 0.332 0.014) 3.541 13.760 ( 2.970 -3.312 -0.664) 4.498 13.918 ( 2.052 0.470 0.038) 2.105 13.936 ( 4.009 2.257 0.330) 4.613 13.981 ( 10.564 3.122 6.204) 12.643 14.056 ( -1.263 -4.784 -2.184) 5.409 14.375 ( -0.892 0.429 -0.431) 1.079 14.454 ( 1.150 2.078 -0.240) 2.387 14.792 ( 0.885 0.380 -0.250) 0.995 14.906 ( -1.355 -1.671 1.252) 2.489 14.992 ( 0.680 -0.365 -0.725) 1.059 15.021 ( 0.234 -0.385 -0.126) 0.468 15.412 ( -0.997 -1.082 -0.084) 1.473 15.432 ( 3.123 -0.423 1.559) 3.516 15.488 ( 0.684 -2.312 0.290) 2.428 15.508 ( 1.904 -0.227 0.891) 2.114 15.802 ( 0.831 -0.374 1.723) 1.949 15.844 ( -1.033 1.077 -0.391) 1.542 16.194 ( -0.049 -1.019 -0.405) 1.098 16.260 ( -0.443 -1.732 0.640) 1.899 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 19.423 -36.922 2.788) 41.812 2.316 ( 37.623 -43.500 2.338) 57.560 2.749 ( 23.939 -50.542 6.313) 56.280 3.002 ( 18.813 -26.478 5.655) 32.969 3.112 ( 27.776 -30.844 -22.990) 47.449 3.197 ( 23.442 -39.361 -11.835) 47.317 3.265 ( 22.135 -33.618 27.325) 48.649 4.193 ( 9.895 -22.542 -40.386) 47.298 4.377 ( 16.965 -20.742 6.526) 27.580 4.435 ( 13.368 -24.427 17.763) 33.029 4.519 ( 18.353 -24.745 -9.102) 32.125 4.631 ( 15.631 -23.279 -6.911) 28.879 4.871 ( 12.216 -24.996 25.867) 37.989 5.062 ( 8.168 -19.671 1.605) 21.359 5.183 ( 7.734 -25.858 -2.166) 27.077 5.342 ( 10.169 -21.297 3.141) 23.808 5.613 ( 16.744 -11.809 -2.854) 20.687 5.733 ( 13.679 -11.955 5.522) 18.988 5.888 ( 1.036 4.133 -4.219) 5.997 6.071 ( 14.998 -9.311 -1.269) 17.698 6.207 ( -13.523 5.606 11.988) 18.921 6.544 ( -9.283 2.412 2.160) 9.831 6.594 ( -6.177 2.545 -2.408) 7.101 6.698 ( 2.530 5.103 -9.784) 11.321 6.825 ( 1.496 3.567 -2.730) 4.734 6.951 ( -1.525 1.197 -2.739) 3.356 7.117 ( 1.821 -0.331 -4.005) 4.412 7.333 ( 11.893 3.341 -0.769) 12.377 7.470 ( -8.948 5.801 -2.153) 10.879 7.533 ( -13.141 7.229 7.667) 16.844 7.644 ( -5.754 7.071 -8.442) 12.425 7.710 ( -7.061 7.789 3.715) 11.150 7.921 ( 0.425 9.915 -0.273) 9.927 8.011 ( -19.254 0.835 5.878) 20.149 8.098 ( -13.864 10.612 0.950) 17.485 8.151 ( -14.136 5.174 -3.594) 15.476 8.301 ( -8.383 6.070 4.474) 11.275 8.397 ( -6.464 4.413 -0.858) 7.874 8.483 ( -6.331 7.043 -0.876) 9.511 8.517 ( 3.742 2.796 7.868) 9.150 8.567 ( -4.394 1.927 -12.179) 13.090 8.695 ( -2.433 7.497 4.355) 9.005 8.768 ( -1.617 3.648 0.322) 4.003 8.901 ( -4.436 10.738 1.035) 11.665 8.958 ( 3.918 10.489 2.806) 11.543 9.028 ( -1.360 11.443 -0.650) 11.542 9.079 ( 0.340 3.823 4.175) 5.671 9.154 ( 2.937 10.460 -3.661) 11.465 9.238 ( -5.268 0.594 -1.858) 5.618 9.483 ( 1.297 4.766 -3.882) 6.282 9.501 ( 2.625 7.798 3.912) 9.111 9.602 ( 1.561 6.488 0.304) 6.680 9.659 ( -1.476 5.377 -0.494) 5.598 9.876 ( -3.106 0.955 -3.216) 4.572 10.078 ( 2.363 3.494 1.040) 4.344 10.115 ( -1.880 3.062 -4.529) 5.781 10.178 ( -1.029 0.068 2.308) 2.528 10.234 ( -0.523 9.425 2.587) 9.787 10.315 ( 0.136 5.857 -1.414) 6.027 10.461 ( -0.952 3.068 1.362) 3.489 10.534 ( 3.939 7.447 -4.383) 9.497 10.589 ( -0.044 2.861 1.363) 3.169 10.727 ( 1.461 -0.172 0.066) 1.473 10.782 ( 1.609 5.260 4.494) 7.103 10.846 ( 2.258 3.133 -0.530) 3.898 10.903 ( 0.830 2.147 -1.742) 2.887 10.985 ( -2.976 1.341 0.198) 3.270 11.032 ( -0.509 1.425 1.645) 2.235 11.081 ( -1.634 7.435 1.559) 7.771 11.108 ( 0.948 -0.754 -0.875) 1.495 11.135 ( -2.186 5.238 -2.642) 6.260 11.271 ( 3.749 6.295 0.047) 7.327 11.661 ( -9.346 9.581 -3.250) 13.773 11.755 ( -5.645 9.517 0.869) 11.099 11.922 ( -5.531 7.518 3.349) 9.917 11.966 ( -4.658 11.602 1.307) 12.570 12.074 ( -0.825 12.148 -0.448) 12.184 12.112 ( 2.834 13.846 -0.934) 14.164 12.322 ( -5.529 4.105 -1.050) 6.966 12.456 ( -1.992 0.099 0.228) 2.007 12.754 ( -1.663 -1.972 -0.155) 2.584 12.798 ( -1.958 -2.844 0.550) 3.496 12.818 ( -1.944 -2.231 -0.080) 2.960 12.840 ( -1.593 -1.501 -2.594) 3.394 12.857 ( 0.397 -3.715 1.108) 3.897 12.886 ( -1.393 -1.459 -0.010) 2.017 12.982 ( -0.936 -2.723 2.721) 3.962 13.011 ( 1.967 0.346 0.450) 2.047 13.054 ( -1.506 -0.616 -0.801) 1.813 13.073 ( -0.196 -1.779 -1.152) 2.128 13.117 ( 1.419 -1.773 -0.171) 2.277 13.164 ( 0.279 -1.144 0.118) 1.184 13.219 ( 1.659 -1.650 3.093) 3.878 13.302 ( -1.980 -1.929 -5.075) 5.779 13.391 ( 1.598 -1.128 3.026) 3.603 13.467 ( -1.492 -0.968 0.688) 1.907 13.512 ( -0.378 -2.161 -1.976) 2.953 13.603 ( 3.681 -0.574 0.521) 3.762 13.648 ( -0.411 -3.644 -0.691) 3.731 13.679 ( 4.361 -1.797 0.626) 4.758 13.708 ( 2.608 -1.942 -0.358) 3.271 13.836 ( 2.868 -2.164 0.193) 3.598 13.921 ( 0.483 0.074 0.131) 0.506 13.948 ( 1.682 -0.411 -1.377) 2.212 14.035 ( 3.727 -1.354 5.588) 6.852 14.143 ( -0.802 -5.735 -4.154) 7.127 14.343 ( -1.074 1.297 -0.266) 1.705 14.444 ( 2.976 1.434 0.389) 3.326 14.793 ( 0.907 0.433 -0.783) 1.274 14.937 ( -0.911 -2.678 2.886) 4.041 15.018 ( 1.611 -1.626 -2.028) 3.058 15.044 ( -0.133 -2.509 0.107) 2.515 15.430 ( -1.616 -1.819 -0.579) 2.501 15.442 ( -1.569 0.112 0.850) 1.788 15.545 ( 0.930 -2.557 0.836) 2.846 15.559 ( 3.495 -3.043 -0.683) 4.684 15.814 ( -1.187 -0.978 0.222) 1.554 15.841 ( -0.118 -1.773 -0.267) 1.796 16.202 ( -1.990 -0.517 -0.416) 2.097 16.302 ( 0.343 -2.866 0.483) 2.927 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 18.372 -34.521 0.737) 39.112 3.365 ( 34.193 -36.089 -1.734) 49.745 3.573 ( 13.754 -23.935 23.342) 36.151 3.685 ( 11.367 -37.607 -14.434) 41.855 3.946 ( 29.313 -34.113 -21.054) 49.661 4.109 ( 26.538 -34.271 18.468) 47.115 4.234 ( 23.233 -45.529 -1.267) 51.130 4.725 ( 11.340 -27.220 -23.656) 37.804 4.963 ( 15.363 -23.831 9.703) 29.968 4.992 ( 17.976 -21.979 16.955) 33.071 5.167 ( 22.248 -25.403 -9.317) 35.029 5.292 ( 13.423 -33.945 -14.964) 39.451 5.450 ( 7.916 -21.203 6.379) 23.514 5.521 ( 9.908 -23.965 13.404) 29.192 5.645 ( 2.086 1.528 -5.981) 6.516 5.758 ( 6.731 -23.680 -4.092) 24.955 5.883 ( 3.752 -11.905 1.678) 12.594 5.946 ( 4.053 -10.854 5.996) 13.046 6.091 ( 14.311 -11.152 8.510) 20.040 6.162 ( 7.892 -6.796 -1.438) 10.514 6.305 ( 6.242 -3.828 1.817) 7.544 6.465 ( -3.560 -2.180 12.497) 13.176 6.558 ( 3.212 -1.959 -11.538) 12.136 6.646 ( 4.431 1.769 -4.460) 6.531 6.804 ( 4.736 0.959 -2.886) 5.628 6.896 ( -1.305 3.793 1.570) 4.308 7.114 ( 2.025 2.857 2.968) 4.590 7.254 ( -4.828 3.938 -4.684) 7.794 7.309 ( -6.684 3.988 -1.664) 7.959 7.396 ( 8.370 5.122 -2.083) 10.032 7.456 ( -5.015 3.941 -5.113) 8.174 7.559 ( -9.267 3.137 -0.347) 9.790 7.708 ( -2.004 12.888 2.001) 13.196 7.766 ( -14.916 8.229 -2.022) 17.155 7.861 ( -16.492 3.349 3.585) 17.206 7.927 ( -11.112 3.578 2.073) 11.857 8.091 ( -10.025 8.294 -0.493) 13.020 8.196 ( -9.821 9.607 -1.181) 13.789 8.236 ( -9.664 12.335 0.372) 15.674 8.434 ( -3.638 6.151 -3.978) 8.179 8.481 ( -2.456 6.294 0.220) 6.760 8.528 ( -1.867 7.631 8.327) 11.448 8.613 ( -1.311 9.084 -3.265) 9.741 8.728 ( -6.965 14.241 -4.133) 16.383 8.769 ( -1.205 9.385 3.521) 10.096 8.793 ( -4.558 6.373 2.546) 8.238 8.924 ( 2.630 10.411 -1.207) 10.806 9.042 ( -1.916 4.197 4.477) 6.429 9.232 ( -0.750 -0.251 1.127) 1.376 9.295 ( -3.384 12.420 -2.306) 13.077 9.374 ( -1.887 5.924 0.423) 6.231 9.487 ( 0.184 7.298 -2.345) 7.668 9.557 ( -1.582 8.661 2.024) 9.034 9.740 ( 1.261 8.295 -4.156) 9.363 9.892 ( -6.884 13.914 2.497) 15.724 10.017 ( -1.704 8.423 -8.225) 11.896 10.073 ( -2.588 3.555 7.669) 8.840 10.191 ( 1.100 6.663 2.039) 7.054 10.252 ( 0.993 -4.294 -1.851) 4.780 10.364 ( -0.556 4.988 -4.796) 6.942 10.500 ( -0.165 6.562 2.042) 6.874 10.538 ( 4.606 -0.364 -0.999) 4.727 10.703 ( -2.005 3.864 5.354) 6.900 10.723 ( -0.599 1.680 -2.411) 2.999 10.798 ( -1.207 5.230 -0.810) 5.428 10.832 ( -5.136 10.752 2.132) 12.105 10.868 ( 3.654 2.315 0.993) 4.439 10.957 ( 0.132 5.502 -1.256) 5.645 10.977 ( 1.618 2.984 -0.473) 3.427 11.025 ( -4.455 4.171 3.176) 6.879 11.157 ( 2.090 0.698 -1.267) 2.542 11.217 ( 2.892 1.672 -5.302) 6.267 11.384 ( -3.963 13.722 0.029) 14.283 11.436 ( -2.340 18.873 2.119) 19.135 11.709 ( -4.651 10.443 3.351) 11.913 11.748 ( -3.964 7.188 -3.516) 8.930 11.846 ( 1.259 14.483 -0.099) 14.538 11.909 ( 1.213 8.102 1.393) 8.310 12.165 ( -9.844 5.188 -0.513) 11.139 12.423 ( -4.419 0.822 -0.045) 4.495 12.763 ( -3.214 -0.642 0.209) 3.284 12.797 ( -1.350 0.554 -0.779) 1.654 12.818 ( -3.498 -0.003 0.531) 3.539 12.849 ( -2.764 -2.825 -0.296) 3.963 12.895 ( 0.225 -0.869 -0.864) 1.246 12.918 ( -0.501 -2.666 0.807) 2.830 12.993 ( -1.579 0.148 0.618) 1.702 13.036 ( 0.744 -1.670 0.657) 1.943 13.061 ( -2.189 -1.545 0.289) 2.695 13.106 ( 0.550 -1.511 -0.562) 1.703 13.177 ( -0.775 -0.481 -0.742) 1.176 13.191 ( 2.853 -3.665 0.653) 4.691 13.269 ( 1.100 -2.160 0.987) 2.617 13.305 ( -0.461 -0.384 -2.502) 2.573 13.446 ( 2.773 -2.802 0.826) 4.028 13.488 ( -0.893 -1.559 2.429) 3.022 13.559 ( 1.076 -3.400 -2.121) 4.149 13.654 ( 5.845 -0.336 -0.224) 5.859 13.710 ( -4.850 -5.020 -0.434) 6.993 13.766 ( 4.270 -1.189 -1.155) 4.581 13.770 ( 7.004 -2.070 1.604) 7.478 13.883 ( 0.426 -1.039 0.522) 1.238 13.928 ( -1.038 -0.976 -0.322) 1.461 13.957 ( 0.382 0.362 -0.295) 0.603 14.093 ( 0.485 -2.994 1.911) 3.585 14.238 ( 1.664 -4.429 -2.739) 5.467 14.328 ( -0.087 0.081 0.470) 0.484 14.441 ( 2.763 1.847 0.511) 3.363 14.797 ( 1.736 0.168 -0.531) 1.823 14.979 ( 0.083 -1.847 2.929) 3.464 15.070 ( 2.097 -2.492 -2.932) 4.382 15.121 ( -0.498 -5.919 0.779) 5.991 15.414 ( -3.560 -0.130 -0.420) 3.587 15.445 ( -2.816 -1.612 0.211) 3.251 15.603 ( 1.258 -2.494 0.630) 2.864 15.645 ( 3.904 -2.641 -0.462) 4.736 15.834 ( -1.206 -2.288 0.043) 2.587 15.887 ( -0.022 -3.087 -0.010) 3.087 16.174 ( -3.585 0.728 -0.215) 3.664 16.361 ( 0.743 -2.920 0.161) 3.017 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 16.640 -31.292 -1.171) 35.461 4.049 ( 8.112 -18.176 11.862) 23.170 4.144 ( 18.504 -24.416 -7.446) 31.527 4.479 ( 19.316 -33.555 -1.314) 38.740 4.764 ( 26.003 -27.104 -14.953) 40.427 4.917 ( 23.265 -28.135 12.436) 38.568 4.998 ( 0.849 -22.295 1.975) 22.398 5.322 ( 10.334 -27.507 -1.184) 29.408 5.385 ( 2.485 4.585 -3.961) 6.549 5.433 ( 8.054 -15.158 5.113) 17.910 5.538 ( 7.637 -10.303 3.935) 13.414 5.674 ( 9.832 -14.527 -9.337) 19.872 5.818 ( 9.910 -15.355 0.534) 18.283 5.885 ( 2.768 -15.842 -4.919) 16.818 6.052 ( 1.844 -7.027 7.929) 10.754 6.081 ( 10.752 -25.467 -5.531) 28.191 6.118 ( -0.755 -5.812 5.379) 7.955 6.166 ( -0.679 -8.213 2.408) 8.585 6.344 ( 4.584 -17.600 -7.801) 19.790 6.440 ( 13.316 -6.136 5.609) 15.698 6.460 ( 1.643 -1.272 1.935) 2.839 6.546 ( 3.346 -2.375 3.942) 5.690 6.664 ( 11.262 -3.635 -4.750) 12.752 6.717 ( 2.904 -6.140 0.300) 6.798 6.828 ( 2.414 -4.833 2.891) 6.127 6.936 ( 10.503 -6.393 -3.419) 12.762 7.154 ( 5.631 -4.258 9.047) 11.476 7.249 ( 0.663 -3.071 -1.741) 3.592 7.296 ( 1.211 9.159 -1.594) 9.376 7.328 ( -1.109 -1.417 -5.755) 6.030 7.405 ( 0.515 3.753 -0.080) 3.789 7.430 ( -6.168 -0.207 1.273) 6.301 7.504 ( -4.055 -0.391 -8.063) 9.033 7.567 ( -3.366 1.906 -0.238) 3.875 7.676 ( 1.120 6.762 11.963) 13.787 7.794 ( -8.501 8.284 -6.052) 13.324 7.873 ( -10.564 13.156 -5.044) 17.611 7.926 ( -0.184 1.468 5.785) 5.971 7.990 ( -11.013 -1.295 5.312) 12.296 8.225 ( -7.407 10.828 -0.963) 13.154 8.318 ( -5.083 11.029 -8.010) 14.548 8.385 ( -5.537 10.935 -1.415) 12.338 8.394 ( -5.896 10.802 0.567) 12.319 8.425 ( -3.466 5.766 -1.028) 6.805 8.566 ( -3.882 6.493 1.811) 7.778 8.634 ( -3.483 9.500 -0.688) 10.142 8.803 ( -1.888 3.293 10.218) 10.900 8.938 ( -7.416 13.126 -6.608) 16.460 9.000 ( 0.477 7.457 -1.277) 7.581 9.152 ( -5.941 9.884 -5.180) 12.642 9.247 ( -6.315 6.098 2.526) 9.135 9.370 ( 0.639 7.018 -3.293) 7.778 9.405 ( 4.046 -0.666 11.903) 12.590 9.545 ( -6.501 14.458 2.125) 15.995 9.665 ( 0.172 5.419 -2.180) 5.843 9.811 ( -6.253 11.707 -4.613) 14.051 9.923 ( 0.714 10.109 2.075) 10.345 10.139 ( -1.673 0.497 4.906) 5.207 10.209 ( -6.581 5.929 -10.431) 13.684 10.333 ( -0.216 3.038 -1.270) 3.300 10.390 ( -9.273 12.282 -0.440) 15.395 10.417 ( 3.576 9.012 5.530) 11.162 10.563 ( 1.063 4.457 -1.900) 4.961 10.648 ( -1.040 4.339 3.009) 5.382 10.698 ( -0.858 0.974 0.297) 1.331 10.727 ( 0.186 2.057 -1.564) 2.590 10.816 ( 3.081 9.531 2.507) 10.325 10.855 ( -2.693 6.609 -1.042) 7.212 10.893 ( -1.716 2.331 2.154) 3.608 10.962 ( 1.782 1.988 -1.919) 3.288 11.078 ( 2.431 5.561 -1.000) 6.150 11.135 ( 0.678 7.198 2.400) 7.618 11.229 ( -0.383 2.978 -2.203) 3.724 11.269 ( -0.009 -1.320 -1.434) 1.949 11.527 ( -3.130 6.553 3.786) 8.189 11.612 ( 0.620 5.742 -3.125) 6.567 11.644 ( 3.419 8.811 -0.566) 9.468 11.823 ( 2.921 3.580 1.021) 4.732 11.985 ( -11.218 3.907 -0.005) 11.879 12.345 ( -6.828 2.157 -0.067) 7.161 12.719 ( -3.436 0.969 -0.199) 3.575 12.772 ( -2.830 0.593 0.344) 2.912 12.807 ( -0.064 -0.581 0.090) 0.591 12.875 ( -2.318 -2.270 0.711) 3.321 12.905 ( 0.461 -0.180 -1.175) 1.275 12.961 ( -0.651 -2.500 0.107) 2.586 12.968 ( -0.199 1.494 -0.355) 1.548 13.052 ( -2.591 -0.649 1.061) 2.874 13.089 ( 0.016 -2.466 0.169) 2.471 13.118 ( 0.039 0.310 -0.314) 0.443 13.164 ( -1.267 -0.073 -0.343) 1.314 13.284 ( 1.379 -3.501 0.694) 3.827 13.313 ( 3.389 0.003 -0.628) 3.447 13.327 ( 0.305 -2.805 0.123) 2.824 13.488 ( -0.245 -0.840 -0.327) 0.934 13.554 ( 4.000 -3.560 1.356) 5.524 13.627 ( 0.602 -2.556 -1.257) 2.911 13.687 ( -0.453 -0.357 0.004) 0.577 13.751 ( -1.264 -2.630 -0.311) 2.935 13.813 ( 2.994 0.180 -1.045) 3.177 13.852 ( 5.032 -0.250 1.514) 5.261 13.876 ( 1.323 0.788 -0.376) 1.585 13.937 ( -2.325 -1.900 0.644) 3.070 13.969 ( 0.180 -1.136 -0.268) 1.181 14.158 ( -0.261 -3.955 0.242) 3.971 14.306 ( 0.882 -0.826 -2.767) 3.019 14.331 ( 1.076 -0.402 2.193) 2.476 14.428 ( 1.597 1.426 0.133) 2.145 14.820 ( 2.997 -0.345 -0.269) 3.028 15.005 ( -0.315 -0.974 1.825) 2.092 15.140 ( 2.323 -3.109 -2.021) 4.376 15.227 ( -0.077 -5.565 0.347) 5.576 15.388 ( -3.376 -0.484 0.099) 3.412 15.439 ( -3.170 -0.696 0.042) 3.246 15.652 ( 1.293 -1.562 0.383) 2.064 15.716 ( 2.932 -1.810 -0.275) 3.457 15.870 ( -0.650 -2.466 0.006) 2.550 15.942 ( -0.032 -2.736 0.019) 2.736 16.118 ( -3.619 1.726 -0.090) 4.011 16.413 ( 0.538 -2.059 0.032) 2.128 ======================= Grid point 5 (6/72) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.952 ( 11.627 -21.709 -1.589) 24.678 4.329 ( 3.053 -6.461 4.816) 8.617 4.613 ( 3.913 -11.341 -8.928) 14.954 4.765 ( -2.834 8.266 5.982) 10.590 5.150 ( 8.797 -12.799 5.134) 16.357 5.267 ( 0.501 5.883 -4.141) 7.212 5.455 ( 2.757 -10.642 2.075) 11.187 5.505 ( 13.966 -14.878 1.348) 20.451 5.608 ( 10.943 -10.360 -5.498) 16.041 5.828 ( 11.968 -16.413 0.220) 20.314 5.889 ( 1.113 -1.326 -3.534) 3.936 5.899 ( 4.692 -16.580 -6.699) 18.488 5.979 ( -3.664 -4.746 -0.572) 6.023 6.096 ( -7.806 1.342 12.919) 15.154 6.115 ( -3.562 -0.023 3.111) 4.729 6.160 ( 3.499 -3.280 4.086) 6.300 6.241 ( -3.851 -5.295 -9.554) 11.583 6.383 ( -5.594 15.953 2.247) 17.054 6.402 ( 4.664 -1.669 2.355) 5.485 6.490 ( 4.326 -2.793 -0.814) 5.213 6.594 ( 3.297 -14.826 -9.041) 17.676 6.763 ( 9.883 -12.452 8.143) 17.861 6.800 ( -1.508 5.099 -0.364) 5.329 6.886 ( -2.874 7.334 2.253) 8.193 6.947 ( 1.407 -5.309 0.254) 5.498 7.027 ( 8.045 -4.210 -8.005) 12.104 7.141 ( 5.064 1.732 3.409) 6.345 7.186 ( -7.460 -0.535 2.149) 7.782 7.291 ( 6.066 -5.018 1.648) 8.043 7.334 ( -6.923 7.204 0.507) 10.004 7.445 ( 4.163 -8.951 0.451) 9.882 7.490 ( -0.348 3.807 -5.471) 6.674 7.555 ( 4.028 -2.075 0.177) 4.535 7.620 ( -2.246 4.831 -4.566) 7.017 7.630 ( 3.957 -5.196 4.136) 7.731 7.683 ( 6.644 -10.711 -0.550) 12.616 7.781 ( 0.654 -5.522 0.136) 5.562 7.883 ( -2.349 2.570 2.928) 4.549 7.973 ( -3.407 14.456 -6.387) 16.167 8.049 ( 3.290 -1.937 2.628) 4.634 8.110 ( -7.771 4.127 4.302) 9.794 8.123 ( -10.119 15.642 -0.669) 18.642 8.199 ( 1.660 -6.060 1.292) 6.414 8.358 ( -1.533 2.527 1.717) 3.418 8.480 ( -1.218 -3.876 4.392) 5.982 8.512 ( -2.985 5.058 -5.152) 7.813 8.600 ( -4.983 4.293 -2.959) 7.212 8.744 ( -1.488 6.253 1.911) 6.706 8.843 ( 1.753 8.063 -7.335) 11.041 9.004 ( -2.768 1.299 3.875) 4.936 9.169 ( -7.439 7.387 -4.556) 11.431 9.243 ( -1.241 1.615 4.431) 4.877 9.329 ( 6.179 -1.238 -0.725) 6.344 9.394 ( -5.025 7.402 2.175) 9.207 9.589 ( -5.356 6.319 -1.865) 8.490 9.596 ( -0.173 -3.307 2.210) 3.981 9.756 ( -2.422 13.579 0.106) 13.793 9.829 ( -3.221 12.546 0.952) 12.988 10.121 ( -2.513 0.293 2.857) 3.817 10.244 ( -1.421 -1.354 -12.282) 12.438 10.269 ( 0.254 2.264 -0.605) 2.358 10.320 ( 1.388 6.689 8.164) 10.645 10.535 ( 0.938 1.488 -0.706) 1.896 10.562 ( -2.339 2.446 0.802) 3.478 10.638 ( 0.705 3.309 -0.374) 3.404 10.713 ( 0.864 0.345 -0.443) 1.030 10.741 ( -2.630 0.284 2.033) 3.336 10.761 ( 1.694 1.724 0.062) 2.418 10.876 ( 1.111 0.487 1.595) 2.004 10.919 ( -1.600 1.577 -2.925) 3.688 11.066 ( 4.104 1.448 1.099) 4.489 11.083 ( -1.382 -0.115 0.282) 1.415 11.193 ( 0.408 0.878 -0.520) 1.099 11.290 ( -1.092 -1.016 -1.633) 2.212 11.423 ( -0.535 2.952 1.922) 3.563 11.557 ( 2.500 2.065 -1.520) 3.581 11.574 ( 0.777 2.110 0.381) 2.281 11.824 ( 6.390 1.887 -0.967) 6.733 11.854 ( -8.882 0.010 1.257) 8.971 12.251 ( -4.384 1.613 -0.034) 4.671 12.686 ( -1.205 0.321 -0.085) 1.250 12.745 ( -1.196 0.259 0.197) 1.240 12.817 ( 0.175 -0.302 -0.001) 0.349 12.884 ( -0.634 -0.217 0.411) 0.786 12.918 ( -1.047 -1.645 -0.129) 1.955 12.941 ( 1.277 1.950 -0.724) 2.440 12.996 ( -0.104 -1.804 -0.243) 1.823 13.028 ( -1.698 1.000 0.600) 2.060 13.114 ( -0.418 -0.325 0.153) 0.551 13.126 ( 0.393 -0.863 -0.019) 0.949 13.162 ( -0.233 -0.192 -0.048) 0.306 13.314 ( 0.280 -0.273 0.046) 0.394 13.362 ( 2.402 -0.978 0.725) 2.693 13.370 ( -0.365 -1.500 -0.579) 1.649 13.498 ( -0.046 -0.387 -0.297) 0.490 13.623 ( -0.076 0.092 0.506) 0.520 13.654 ( 2.192 -1.345 -0.810) 2.696 13.694 ( -1.233 -1.601 0.901) 2.213 13.763 ( -0.182 0.533 -0.916) 1.075 13.808 ( 0.181 0.783 -0.137) 0.815 13.881 ( 1.486 -0.286 -0.321) 1.547 13.891 ( 1.056 -0.042 0.287) 1.095 13.959 ( 0.540 -0.778 1.347) 1.647 13.984 ( -0.843 -0.810 -0.685) 1.354 14.224 ( -0.666 -3.415 0.138) 3.482 14.292 ( 0.243 1.636 -1.693) 2.367 14.342 ( 1.164 0.800 1.710) 2.218 14.428 ( 0.345 -0.225 -0.321) 0.522 14.849 ( 1.653 -0.243 -0.109) 1.674 15.013 ( -0.339 -0.300 0.596) 0.748 15.202 ( 1.272 -1.575 -0.564) 2.101 15.303 ( 0.221 -2.243 -0.651) 2.346 15.378 ( -1.214 -0.906 1.153) 1.904 15.415 ( -1.972 0.686 -0.409) 2.127 15.679 ( 0.534 -0.491 0.084) 0.731 15.757 ( 1.124 -0.691 -0.019) 1.319 15.906 ( 0.064 -1.467 -0.002) 1.468 15.977 ( -0.051 -1.024 -0.063) 1.027 16.062 ( -1.770 1.292 0.013) 2.191 16.442 ( 0.183 -0.732 0.002) 0.755 ======================= Grid point 12 (7/72) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 45.620 0.000 15.721) 48.253 1.090 ( 61.124 0.000 4.774) 61.311 1.509 ( 84.384 0.000 8.165) 84.778 2.367 ( 25.302 0.000 -35.954) 43.965 2.467 ( 38.345 0.000 -11.684) 40.086 2.513 ( 34.615 0.000 11.111) 36.354 2.538 ( 26.958 0.000 34.291) 43.619 3.770 ( 13.170 0.000 -52.251) 53.885 3.867 ( 14.688 0.000 -10.150) 17.854 4.012 ( 11.943 0.000 5.123) 12.995 4.046 ( 24.995 0.000 4.225) 25.349 4.236 ( 21.777 0.000 -3.385) 22.039 4.390 ( 16.654 0.000 46.899) 49.768 4.661 ( 10.003 0.000 8.319) 13.010 4.668 ( 12.144 0.000 -7.994) 14.539 4.898 ( 10.729 0.000 3.624) 11.324 5.385 ( 19.966 0.000 -6.261) 20.925 5.490 ( 17.830 0.000 10.085) 20.485 5.852 ( 17.142 0.000 -1.824) 17.239 6.023 ( 0.772 0.000 -8.699) 8.734 6.355 ( -14.517 -0.000 14.188) 20.299 6.576 ( -16.936 -0.000 0.405) 16.941 6.624 ( -13.615 -0.000 -0.351) 13.620 6.863 ( 5.890 0.000 -10.032) 11.634 6.870 ( 0.327 0.000 -22.291) 22.293 6.931 ( -5.763 -0.000 1.317) 5.912 7.129 ( 6.429 0.000 -4.201) 7.680 7.372 ( 13.102 0.000 10.497) 16.788 7.573 ( -19.899 -0.000 -3.079) 20.136 7.595 ( -1.734 -0.000 9.905) 10.056 7.837 ( -15.504 -0.000 -6.664) 16.875 7.911 ( -10.398 -0.000 -1.512) 10.507 7.982 ( -20.682 -0.000 14.844) 25.458 8.128 ( 6.457 0.000 6.335) 9.045 8.212 ( -11.075 -0.000 -6.970) 13.085 8.387 ( -9.053 -0.000 -0.706) 9.080 8.404 ( -7.732 -0.000 -0.913) 7.785 8.481 ( -11.255 -0.000 0.455) 11.264 8.540 ( 0.320 0.000 -11.007) 11.012 8.589 ( -10.194 -0.000 -0.062) 10.194 8.596 ( -3.295 -0.000 5.412) 6.336 8.803 ( -6.547 -0.000 2.413) 6.978 8.874 ( 1.265 0.000 2.793) 3.066 9.019 ( 0.484 0.000 2.532) 2.578 9.049 ( -11.147 -0.000 1.767) 11.286 9.197 ( 2.696 0.000 -5.024) 5.702 9.294 ( -2.091 -0.000 1.072) 2.349 9.422 ( 3.921 0.000 -0.484) 3.951 9.500 ( 7.330 0.000 -7.088) 10.197 9.562 ( 1.889 0.000 -4.338) 4.732 9.606 ( 6.097 0.000 2.676) 6.658 9.720 ( -4.407 -0.000 10.528) 11.413 9.801 ( -0.116 -0.000 0.563) 0.575 9.821 ( 1.873 0.000 0.810) 2.040 9.978 ( 2.994 0.000 -7.420) 8.001 10.138 ( -4.881 -0.000 -4.185) 6.430 10.343 ( -1.945 -0.000 6.746) 7.021 10.365 ( 2.669 0.000 -6.779) 7.285 10.456 ( 0.707 0.000 -5.493) 5.538 10.546 ( -2.619 -0.000 5.367) 5.972 10.626 ( 4.808 0.000 2.121) 5.255 10.750 ( -0.679 -0.000 3.048) 3.122 10.820 ( -1.557 -0.000 -6.160) 6.353 10.848 ( -1.768 -0.000 -0.010) 1.768 10.925 ( -3.022 -0.000 -1.757) 3.496 10.959 ( 5.602 0.000 2.817) 6.271 10.999 ( 1.072 0.000 -2.937) 3.127 11.100 ( -1.221 -0.000 3.922) 4.108 11.154 ( -0.036 -0.000 0.635) 0.636 11.265 ( -1.059 -0.000 -2.038) 2.297 11.443 ( -1.091 -0.000 0.995) 1.477 11.457 ( -1.258 -0.000 -0.317) 1.297 11.680 ( -3.012 -0.000 -12.278) 12.642 11.778 ( -15.936 -0.000 7.622) 17.665 11.927 ( -4.491 -0.000 -13.581) 14.304 12.058 ( -8.583 -0.000 7.081) 11.126 12.177 ( -7.161 -0.000 5.094) 8.788 12.320 ( 0.204 0.000 -0.492) 0.533 12.416 ( 1.465 0.000 -1.259) 1.932 12.488 ( -0.986 -0.000 0.681) 1.198 12.682 ( 1.037 0.000 0.806) 1.313 12.714 ( 0.718 0.000 -0.546) 0.902 12.734 ( 1.077 0.000 0.220) 1.099 12.773 ( 0.149 0.000 -0.073) 0.166 12.789 ( -1.706 -0.000 2.305) 2.868 12.820 ( -0.555 -0.000 -3.219) 3.267 12.924 ( 1.361 0.000 1.775) 2.236 13.013 ( -1.737 -0.000 1.380) 2.218 13.014 ( 0.275 0.000 -0.021) 0.276 13.070 ( 1.012 0.000 -0.946) 1.386 13.113 ( 1.597 0.000 -2.619) 3.067 13.152 ( 2.071 0.000 1.104) 2.347 13.216 ( -0.545 -0.000 5.521) 5.548 13.242 ( -1.826 -0.000 -3.033) 3.540 13.382 ( 1.326 0.000 1.253) 1.824 13.443 ( 0.261 0.000 -3.825) 3.834 13.483 ( -0.899 -0.000 -0.848) 1.236 13.509 ( -4.092 -0.000 2.682) 4.892 13.618 ( 1.516 0.000 -0.650) 1.649 13.665 ( 4.276 0.000 1.798) 4.639 13.693 ( 0.632 0.000 -1.715) 1.828 13.775 ( 7.528 0.000 1.801) 7.740 13.941 ( 0.624 0.000 -1.424) 1.555 13.975 ( 2.605 0.000 3.527) 4.385 14.007 ( 2.661 0.000 -4.515) 5.240 14.225 ( -3.042 -0.000 -0.800) 3.145 14.392 ( 1.048 0.000 3.289) 3.452 14.473 ( -0.273 -0.000 -1.622) 1.645 14.817 ( 1.094 0.000 -0.740) 1.321 14.876 ( -1.455 -0.000 0.784) 1.653 14.986 ( -0.064 -0.000 0.541) 0.545 15.023 ( 0.631 0.000 -0.655) 0.909 15.390 ( -0.682 -0.000 -0.246) 0.725 15.451 ( -1.314 -0.000 -0.439) 1.385 15.493 ( 4.898 0.000 -2.510) 5.504 15.566 ( -0.568 -0.000 5.742) 5.770 15.833 ( -1.410 -0.000 -1.544) 2.091 15.859 ( -1.581 -0.000 12.706) 12.804 16.190 ( 1.006 0.000 -1.157) 1.534 16.235 ( -1.271 -0.000 1.435) 1.917 ======================= Grid point 13 (8/72) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 38.087 -23.087 10.553) 45.771 1.955 ( 47.743 -33.250 4.059) 58.321 2.479 ( 68.895 -24.039 8.200) 73.427 2.796 ( 31.351 -20.115 -30.909) 48.403 2.938 ( 32.277 -13.555 23.663) 42.255 2.969 ( 39.584 -16.890 -23.299) 48.939 3.054 ( 37.135 -19.719 27.594) 50.292 3.992 ( 22.094 -11.430 -52.884) 58.442 4.172 ( 20.241 -17.243 -16.476) 31.281 4.261 ( 20.164 -11.219 12.961) 26.465 4.406 ( 30.260 -10.799 6.324) 32.746 4.544 ( 27.852 -9.706 -4.569) 29.847 4.714 ( 23.418 -12.021 44.458) 51.667 4.889 ( 14.934 -10.429 4.341) 18.725 4.903 ( 13.667 -14.353 -3.674) 20.156 5.134 ( 14.181 -12.990 4.372) 19.723 5.638 ( 25.488 -5.700 -9.239) 27.703 5.736 ( 22.355 -5.809 14.045) 27.032 5.958 ( 1.586 2.550 -8.550) 9.062 6.110 ( 21.230 -4.317 -2.807) 21.846 6.183 ( -13.869 4.410 11.178) 18.351 6.460 ( -15.794 -3.148 4.725) 16.784 6.474 ( -15.519 1.375 0.348) 15.584 6.791 ( -2.890 3.628 -6.597) 8.064 6.884 ( 0.281 1.298 -12.528) 12.598 6.942 ( 3.651 -2.027 -14.800) 15.378 7.146 ( 2.232 2.082 -3.610) 4.728 7.390 ( -18.652 -0.017 -4.059) 19.088 7.490 ( 11.939 1.399 7.758) 14.307 7.544 ( -7.519 4.418 16.568) 18.723 7.636 ( -16.102 3.765 -14.026) 21.684 7.756 ( -12.765 4.250 3.375) 13.871 7.818 ( -20.494 -0.198 9.780) 22.709 8.051 ( -16.636 3.802 -6.770) 18.359 8.122 ( -2.142 6.293 4.438) 7.993 8.150 ( -16.952 9.157 2.749) 19.462 8.296 ( -8.535 1.245 0.624) 8.648 8.378 ( -10.601 1.686 0.592) 10.751 8.451 ( -16.789 1.567 -1.340) 16.915 8.535 ( -2.264 0.816 -9.572) 9.870 8.585 ( 0.922 0.886 4.994) 5.155 8.762 ( -1.920 1.825 2.846) 3.888 8.818 ( -0.293 4.637 3.065) 5.566 8.965 ( -8.090 2.827 2.046) 8.811 9.056 ( 0.352 -2.341 3.894) 4.557 9.193 ( 3.955 3.095 -2.434) 5.581 9.210 ( -0.590 7.269 0.317) 7.299 9.316 ( 1.197 12.843 -2.859) 13.212 9.393 ( 1.844 10.510 -4.367) 11.529 9.555 ( -0.205 2.105 -4.733) 5.184 9.646 ( 3.622 3.980 4.511) 7.022 9.681 ( -2.676 2.402 4.021) 5.395 9.749 ( -0.562 4.270 0.542) 4.341 9.849 ( -0.246 -0.893 -0.391) 1.006 9.990 ( -2.320 -1.849 -6.941) 7.548 10.125 ( -3.622 -2.290 -3.138) 5.312 10.292 ( -0.154 5.972 3.922) 7.147 10.344 ( 0.826 2.453 0.850) 2.724 10.415 ( -0.432 4.874 -3.490) 6.011 10.512 ( -2.456 2.178 2.820) 4.328 10.616 ( 0.597 2.913 2.782) 4.072 10.695 ( -1.114 7.652 -6.813) 10.306 10.743 ( 1.395 1.211 3.363) 3.837 10.825 ( -2.705 -0.171 2.815) 3.908 10.927 ( -4.028 0.318 -0.626) 4.088 10.974 ( 4.536 3.778 0.018) 5.904 11.003 ( 1.327 5.822 0.230) 5.976 11.024 ( 1.378 -0.535 -1.001) 1.786 11.109 ( -0.381 1.347 0.694) 1.562 11.212 ( -0.657 5.247 -1.926) 5.628 11.237 ( 1.221 8.568 -0.627) 8.678 11.399 ( 0.662 5.313 0.513) 5.379 11.626 ( -12.337 -0.835 1.946) 12.517 11.781 ( -7.813 1.375 -4.463) 9.102 11.942 ( -12.419 2.732 7.548) 14.787 12.033 ( -11.560 -4.855 -6.948) 14.334 12.077 ( -9.863 -0.928 1.985) 10.104 12.282 ( -3.232 3.722 1.215) 5.077 12.373 ( -3.022 4.402 -1.689) 5.600 12.456 ( -1.951 1.560 0.806) 2.625 12.701 ( -1.607 -1.933 -0.215) 2.522 12.744 ( 1.163 -1.170 -0.233) 1.666 12.772 ( 0.746 -1.808 0.367) 1.990 12.778 ( -2.126 -2.393 0.834) 3.308 12.808 ( 0.634 -2.427 -0.333) 2.531 12.830 ( -1.667 -1.948 -1.675) 3.062 12.945 ( 0.782 -0.910 1.891) 2.240 13.028 ( 0.532 -1.921 1.967) 2.801 13.034 ( 1.307 -1.652 0.058) 2.108 13.065 ( 1.440 1.605 -0.484) 2.210 13.103 ( -1.050 0.612 -3.338) 3.553 13.165 ( 2.119 0.283 0.768) 2.272 13.225 ( 1.399 -0.267 3.760) 4.021 13.254 ( -0.207 -1.790 -3.067) 3.557 13.398 ( 2.041 -0.449 1.991) 2.886 13.450 ( -1.596 0.746 0.440) 1.816 13.472 ( 0.381 -2.066 -3.121) 3.762 13.526 ( -1.796 -3.622 0.433) 4.066 13.658 ( 2.367 -2.455 0.019) 3.411 13.690 ( 4.573 1.859 -1.081) 5.053 13.715 ( 2.941 -1.609 1.185) 3.556 13.849 ( 6.803 -0.725 1.836) 7.084 13.942 ( -0.277 -0.415 -1.630) 1.704 13.989 ( 2.572 1.885 2.081) 3.808 14.049 ( 1.775 -1.117 -2.932) 3.604 14.127 ( 3.707 4.214 0.929) 5.689 14.368 ( 0.573 2.376 0.293) 2.462 14.470 ( 0.236 0.068 -0.457) 0.519 14.817 ( 1.828 0.728 -1.133) 2.270 14.878 ( -1.708 -1.990 1.849) 3.209 15.002 ( 0.495 -1.265 -0.554) 1.467 15.033 ( 1.257 -0.414 -0.489) 1.411 15.391 ( -1.287 -0.716 -0.479) 1.548 15.444 ( -1.154 0.082 0.049) 1.158 15.535 ( 0.409 1.066 2.382) 2.642 15.549 ( 4.903 -1.586 -0.549) 5.182 15.815 ( -1.261 1.797 1.199) 2.501 15.817 ( -0.324 0.001 0.363) 0.486 16.192 ( -0.018 0.536 -0.718) 0.896 16.250 ( -0.578 -2.471 0.940) 2.706 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 31.800 -27.243 5.543) 42.239 2.992 ( 35.701 -39.533 5.102) 53.511 3.313 ( 34.558 -19.280 -18.187) 43.552 3.403 ( 26.783 -17.262 18.614) 36.902 3.641 ( 33.110 -28.186 -25.074) 50.194 3.790 ( 43.719 -34.248 5.562) 55.814 3.843 ( 37.834 -27.950 20.525) 51.321 4.456 ( 26.453 -17.649 -31.966) 45.090 4.738 ( 21.418 -19.234 8.234) 29.941 4.787 ( 25.435 -27.962 -13.844) 40.255 4.909 ( 27.153 -15.178 9.071) 32.403 5.038 ( 28.658 -17.218 -10.918) 35.170 5.226 ( 20.124 -16.380 18.408) 31.814 5.276 ( 18.341 -17.163 16.370) 29.982 5.376 ( 14.892 -23.029 -3.916) 27.702 5.560 ( 13.011 -17.777 3.323) 22.279 5.853 ( -1.881 5.415 -2.761) 6.363 5.886 ( 1.049 -0.848 -1.661) 2.140 6.071 ( 19.322 -8.640 8.519) 22.816 6.137 ( 11.376 -5.061 0.700) 12.470 6.294 ( -0.678 -1.598 0.342) 1.770 6.381 ( -7.879 -3.133 10.648) 13.612 6.504 ( 14.433 -6.862 -0.765) 15.999 6.707 ( -2.827 1.564 -3.755) 4.953 6.867 ( 2.913 1.690 -8.936) 9.550 6.957 ( 2.750 2.184 -9.949) 10.551 7.131 ( -3.197 -2.222 -8.035) 8.928 7.260 ( -11.348 2.995 2.534) 12.007 7.316 ( -7.579 6.186 3.078) 10.256 7.431 ( -14.224 2.451 -7.612) 16.318 7.513 ( -4.397 5.684 -3.305) 7.910 7.590 ( -4.252 4.520 6.037) 8.658 7.656 ( -12.514 0.816 0.827) 12.568 7.795 ( -15.579 5.307 2.838) 16.701 7.843 ( -15.951 6.461 -2.866) 17.447 7.966 ( -6.131 9.204 6.455) 12.805 8.146 ( -9.955 8.214 0.822) 12.932 8.216 ( -9.405 3.739 0.734) 10.148 8.306 ( -12.749 1.277 -3.064) 13.174 8.445 ( -5.547 4.298 -6.356) 9.468 8.554 ( -0.893 3.492 8.801) 9.511 8.657 ( -3.433 7.162 -0.484) 7.957 8.751 ( -1.648 7.625 1.687) 7.982 8.794 ( -6.546 4.628 6.282) 10.184 8.966 ( -3.452 12.358 -1.540) 12.924 9.021 ( 1.494 14.337 1.722) 14.517 9.097 ( -0.936 8.143 -1.375) 8.311 9.190 ( 1.784 5.171 1.571) 5.691 9.232 ( 2.651 4.665 -1.103) 5.477 9.459 ( -3.459 7.021 -6.378) 10.097 9.497 ( -2.555 10.193 2.477) 10.796 9.620 ( -2.121 7.982 -2.852) 8.738 9.640 ( 0.745 2.074 2.509) 3.339 9.822 ( -3.243 2.629 -0.777) 4.246 9.984 ( -8.591 -0.330 -5.057) 9.974 10.130 ( 0.596 10.097 -1.319) 10.200 10.142 ( -5.339 1.757 0.759) 5.672 10.219 ( -0.084 5.213 3.647) 6.363 10.339 ( 2.021 5.059 -1.424) 5.631 10.449 ( -0.709 3.457 1.457) 3.818 10.544 ( -2.956 4.875 -1.468) 5.887 10.595 ( -0.391 0.936 -0.228) 1.040 10.714 ( -4.628 1.130 0.321) 4.775 10.764 ( -3.236 5.221 3.629) 7.135 10.865 ( -1.021 1.107 -0.203) 1.519 10.914 ( -4.421 4.872 2.102) 6.906 10.934 ( 1.583 4.922 -1.516) 5.388 11.009 ( -2.737 2.296 1.287) 3.798 11.086 ( 0.056 4.739 1.557) 4.989 11.101 ( 1.740 5.744 -1.959) 6.313 11.138 ( 2.373 0.150 -1.247) 2.685 11.314 ( 0.993 5.035 -1.241) 5.279 11.492 ( -8.479 5.724 -2.920) 10.639 11.642 ( -7.639 6.880 -2.364) 10.549 11.764 ( -12.354 4.671 7.093) 14.992 11.866 ( -7.918 8.449 -0.876) 11.612 11.981 ( -9.155 5.286 -0.932) 10.612 12.118 ( -3.111 10.222 0.650) 10.705 12.217 ( -5.549 7.601 -0.839) 9.448 12.405 ( -3.623 1.624 -0.151) 3.973 12.724 ( -1.614 -1.893 0.621) 2.563 12.771 ( -1.451 -1.816 -0.148) 2.329 12.774 ( -2.978 -0.395 -0.421) 3.034 12.800 ( -1.402 -0.620 -1.634) 2.241 12.850 ( -1.995 -2.869 0.992) 3.632 12.872 ( 0.929 -2.622 0.205) 2.790 12.969 ( 0.286 -1.094 2.052) 2.343 13.039 ( -1.272 0.435 0.334) 1.385 13.056 ( 2.358 1.339 -1.634) 3.166 13.085 ( 2.451 -1.672 0.935) 3.111 13.123 ( 0.409 -3.875 -0.973) 4.017 13.187 ( 1.897 -0.464 -0.527) 2.022 13.246 ( 0.724 -0.327 3.099) 3.199 13.284 ( 0.796 -2.012 -3.963) 4.516 13.435 ( 2.419 -0.822 0.965) 2.731 13.454 ( 0.446 -1.912 3.310) 3.848 13.512 ( 0.658 -2.473 -1.797) 3.127 13.586 ( -2.714 -4.567 -1.169) 5.440 13.698 ( 3.697 0.378 -0.896) 3.822 13.748 ( 3.388 -3.818 0.742) 5.158 13.784 ( 4.395 -2.055 0.104) 4.853 13.911 ( 5.355 0.620 1.462) 5.585 13.935 ( 1.026 1.578 -1.146) 2.203 13.972 ( 1.050 0.328 -0.541) 1.226 14.065 ( 0.724 -0.779 1.597) 1.918 14.182 ( 4.208 -3.681 -1.055) 5.689 14.338 ( 0.506 1.275 -0.580) 1.489 14.471 ( 0.041 0.185 0.315) 0.368 14.824 ( 2.722 0.371 -0.628) 2.818 14.928 ( -0.395 -4.055 1.819) 4.462 15.043 ( 1.010 -2.809 -1.240) 3.232 15.061 ( 2.483 -0.919 -0.113) 2.650 15.385 ( -3.206 -0.713 -0.954) 3.420 15.409 ( -2.167 1.551 1.019) 2.853 15.561 ( 0.548 -2.753 1.137) 3.029 15.631 ( 4.045 -2.707 -0.727) 4.921 15.796 ( -0.788 -0.723 0.254) 1.099 15.833 ( -0.657 -2.154 -0.103) 2.254 16.169 ( -1.354 1.219 -0.269) 1.842 16.302 ( -0.402 -3.372 0.219) 3.403 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 27.593 -27.165 1.461) 38.749 3.843 ( 19.299 -17.993 8.414) 27.694 3.897 ( 17.331 -24.395 -8.276) 31.048 4.056 ( 32.329 -32.251 4.468) 45.883 4.437 ( 29.176 -30.701 -17.446) 45.806 4.677 ( 33.405 -23.988 2.877) 41.226 4.710 ( 29.248 -29.151 13.770) 43.529 4.983 ( 20.084 -18.948 -11.880) 30.059 5.245 ( 16.936 -16.079 8.061) 24.705 5.401 ( 19.662 -13.895 3.526) 24.333 5.492 ( 15.847 -19.911 -3.400) 25.674 5.535 ( 4.396 -8.791 -3.102) 10.307 5.597 ( 11.470 -9.499 -7.406) 16.632 5.665 ( 11.183 -11.967 -3.715) 16.794 5.761 ( 12.368 -12.212 -5.462) 18.219 5.931 ( 8.147 -18.425 -1.259) 20.185 5.960 ( 11.797 -11.881 17.004) 23.864 6.017 ( 3.896 -15.831 -0.106) 16.303 6.117 ( -7.614 0.835 -0.582) 7.682 6.380 ( -2.732 -8.247 15.323) 17.614 6.463 ( 13.476 -6.280 13.389) 20.008 6.545 ( 20.081 -7.854 -5.711) 22.305 6.629 ( 2.613 1.045 -10.074) 10.460 6.783 ( 8.047 -4.382 3.827) 9.930 6.865 ( 3.717 3.193 -4.977) 6.985 6.935 ( 6.529 2.350 -5.747) 9.010 7.105 ( -6.834 -4.614 2.553) 8.632 7.154 ( 1.111 -2.533 3.376) 4.364 7.283 ( 1.636 -2.940 1.113) 3.544 7.345 ( -7.231 -0.317 -12.624) 14.552 7.404 ( -2.372 -0.780 -0.554) 2.558 7.454 ( -11.713 2.786 -2.729) 12.346 7.532 ( 3.539 8.121 -6.728) 11.124 7.602 ( -8.897 4.132 -0.954) 9.856 7.684 ( -5.216 -1.079 14.545) 15.489 7.807 ( -4.593 0.720 -0.991) 4.753 7.914 ( -8.531 7.163 -0.442) 11.148 8.024 ( -8.276 7.969 1.737) 11.620 8.088 ( -4.640 15.939 -5.266) 17.416 8.333 ( -6.402 3.786 -6.576) 9.928 8.378 ( -8.034 7.951 0.746) 11.328 8.520 ( -1.299 6.067 8.651) 10.646 8.570 ( -3.570 9.670 -0.718) 10.333 8.602 ( -6.314 13.340 -0.556) 14.769 8.699 ( -4.670 7.985 5.601) 10.814 8.735 ( -3.489 16.304 -1.296) 16.723 8.983 ( 2.598 11.724 5.085) 13.040 9.014 ( -3.411 5.095 -1.200) 6.248 9.181 ( -5.022 12.089 -1.893) 13.227 9.234 ( -3.347 6.329 -7.229) 10.174 9.350 ( -1.422 3.652 6.928) 7.960 9.473 ( 0.265 6.166 0.415) 6.186 9.550 ( -0.372 11.479 -1.646) 11.603 9.729 ( -2.789 2.981 -1.640) 4.399 9.748 ( -8.998 13.851 1.738) 16.608 9.909 ( -7.977 5.825 -4.182) 10.727 10.062 ( -0.781 6.417 1.415) 6.617 10.200 ( -0.977 3.857 -3.616) 5.377 10.252 ( -0.653 5.798 -0.888) 5.902 10.355 ( -1.059 2.267 -0.781) 2.621 10.442 ( -7.586 5.068 6.613) 11.268 10.576 ( 0.128 2.144 -2.301) 3.148 10.613 ( -7.099 4.778 -0.600) 8.578 10.652 ( -7.606 -0.220 3.046) 8.196 10.746 ( -2.864 7.397 2.304) 8.260 10.791 ( -1.507 7.018 -0.704) 7.212 10.867 ( -3.151 -0.306 -0.447) 3.197 10.918 ( -6.635 3.572 -0.675) 7.566 10.992 ( 0.228 6.305 -0.439) 6.324 11.049 ( 4.958 4.421 2.069) 6.957 11.169 ( 0.172 1.122 -0.727) 1.348 11.233 ( -0.205 2.984 -7.316) 7.903 11.307 ( -4.366 6.378 0.376) 7.739 11.361 ( -7.269 15.055 4.133) 17.222 11.577 ( -10.355 5.264 6.405) 13.265 11.663 ( -5.772 4.983 -10.017) 12.590 11.795 ( -7.045 6.649 3.894) 10.440 11.922 ( -2.713 7.546 0.433) 8.031 12.038 ( -2.004 7.423 -0.233) 7.693 12.328 ( -5.502 2.346 -0.240) 5.986 12.705 ( -3.404 1.157 0.430) 3.621 12.755 ( -1.908 -0.315 -0.210) 1.946 12.795 ( -2.621 -3.315 -0.117) 4.228 12.809 ( 1.681 -0.345 -0.501) 1.788 12.894 ( -1.551 -3.217 0.354) 3.589 12.910 ( 0.808 -0.767 0.354) 1.169 12.993 ( 1.881 -0.375 1.122) 2.222 13.027 ( -1.340 -0.464 -0.750) 1.604 13.064 ( 2.440 -0.029 -0.236) 2.452 13.124 ( 1.293 -0.873 0.297) 1.588 13.164 ( -0.505 1.175 -0.890) 1.558 13.226 ( 1.166 -3.709 0.461) 3.916 13.279 ( 0.613 -2.627 0.290) 2.713 13.329 ( 2.156 -1.353 -1.391) 2.901 13.463 ( -0.423 -1.260 0.267) 1.355 13.517 ( 2.860 -3.036 2.381) 4.803 13.576 ( 0.081 -3.605 0.575) 3.652 13.620 ( -3.744 -2.309 -1.375) 4.609 13.738 ( 3.390 -1.279 -1.129) 3.795 13.832 ( 2.615 -1.565 -0.878) 3.171 13.863 ( 3.036 -3.152 0.953) 4.479 13.896 ( -0.008 2.011 -0.285) 2.031 13.943 ( 4.440 0.991 0.453) 4.571 13.979 ( 1.413 0.464 0.064) 1.489 14.107 ( 2.424 -2.166 0.361) 3.271 14.285 ( 3.147 -3.439 -0.531) 4.692 14.328 ( 0.386 0.205 -0.239) 0.498 14.458 ( -0.718 0.989 0.359) 1.274 14.853 ( 4.068 -0.011 -0.043) 4.069 14.996 ( 1.463 -2.306 -0.010) 2.730 15.111 ( 2.294 -2.491 1.543) 3.721 15.126 ( 1.920 -4.826 -1.687) 5.461 15.354 ( -2.973 0.310 -0.414) 3.017 15.384 ( -4.014 -1.482 0.464) 4.304 15.619 ( 0.340 -2.773 0.730) 2.888 15.706 ( 2.745 -2.245 -0.647) 3.605 15.822 ( -0.035 -2.278 0.298) 2.298 15.879 ( -0.767 -3.454 0.031) 3.538 16.128 ( -1.521 1.885 -0.230) 2.433 16.357 ( -1.219 -3.388 0.026) 3.601 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( 23.804 -24.439 -0.878) 34.127 4.235 ( 10.524 -10.335 12.056) 19.051 4.405 ( 14.844 -18.036 -13.511) 26.985 4.895 ( 22.299 -24.322 2.600) 33.099 4.960 ( -2.065 2.487 6.794) 7.523 5.177 ( 21.720 -24.433 -9.899) 34.157 5.305 ( 12.097 -12.019 -0.823) 17.073 5.435 ( 8.102 1.853 -0.749) 8.345 5.548 ( 2.638 -5.852 -4.562) 7.875 5.598 ( 20.714 -23.860 10.017) 33.147 5.711 ( 11.714 -12.308 -3.428) 17.334 5.783 ( 2.923 -8.392 1.375) 8.992 5.857 ( -1.279 -4.712 -2.497) 5.484 5.986 ( -1.070 -4.391 -3.984) 6.025 6.067 ( -2.147 -7.019 -0.397) 7.351 6.100 ( 1.535 -4.171 5.638) 7.180 6.159 ( 3.517 -8.180 4.158) 9.827 6.273 ( 8.918 -17.251 -8.250) 21.100 6.379 ( -4.488 -0.066 8.372) 9.500 6.441 ( 2.610 -9.133 -0.073) 9.499 6.601 ( 6.050 1.821 0.860) 6.377 6.678 ( 7.685 -3.185 4.901) 9.655 6.771 ( 1.748 -10.275 -1.223) 10.494 6.843 ( 10.282 -0.258 -3.618) 10.903 6.976 ( 8.088 -0.963 -0.057) 8.145 7.056 ( 2.879 -2.115 -7.481) 8.290 7.134 ( -7.496 3.006 1.998) 8.319 7.264 ( 1.356 -8.455 5.571) 10.216 7.283 ( 5.107 -0.532 4.930) 7.118 7.335 ( 6.686 0.757 -1.781) 6.961 7.375 ( 0.317 -2.007 0.505) 2.094 7.446 ( 5.051 -7.496 1.367) 9.142 7.552 ( 2.876 1.298 -7.123) 7.791 7.627 ( 8.951 -3.117 -4.953) 10.694 7.683 ( -1.710 5.543 -0.459) 5.819 7.728 ( -4.919 11.421 -6.831) 14.188 7.769 ( 6.598 -2.531 7.869) 10.576 7.883 ( 1.530 -3.378 3.880) 5.367 7.990 ( 1.991 -8.029 0.379) 8.281 8.101 ( 0.475 5.315 4.417) 6.927 8.218 ( -5.285 15.471 -8.868) 18.599 8.274 ( -6.030 12.640 2.972) 14.316 8.300 ( -3.072 12.650 -2.317) 13.222 8.397 ( -0.737 4.575 -0.922) 4.725 8.519 ( -1.452 3.550 1.683) 4.189 8.599 ( -1.018 11.453 1.173) 11.558 8.759 ( -5.843 1.201 12.347) 13.712 8.782 ( -7.449 13.051 -7.351) 16.729 8.968 ( -3.739 6.494 -6.370) 9.836 9.095 ( -3.831 18.269 2.522) 18.836 9.184 ( 2.777 -2.318 -2.901) 4.637 9.371 ( -1.674 12.404 -5.385) 13.626 9.402 ( -8.172 5.727 2.056) 10.188 9.488 ( 3.014 1.816 11.173) 11.714 9.627 ( -4.767 10.018 0.086) 11.095 9.690 ( -6.431 8.903 -2.495) 11.263 9.903 ( -4.901 7.530 -2.894) 9.439 10.050 ( -9.024 13.851 -0.779) 16.549 10.091 ( -4.098 3.133 2.137) 5.584 10.257 ( -3.969 4.836 -7.647) 9.880 10.291 ( -4.790 2.630 1.060) 5.566 10.467 ( -1.136 8.040 4.188) 9.136 10.521 ( -4.973 0.922 2.979) 5.870 10.614 ( -7.600 -1.648 2.454) 8.155 10.636 ( -0.883 3.693 -0.351) 3.814 10.695 ( -4.168 0.188 -2.046) 4.647 10.793 ( -2.891 7.278 1.235) 7.929 10.807 ( -4.093 3.115 0.262) 5.151 10.882 ( -0.423 1.831 1.136) 2.196 10.949 ( -3.261 5.177 -4.513) 7.603 11.098 ( -3.057 4.608 -0.835) 5.592 11.131 ( 0.917 2.339 0.472) 2.556 11.224 ( -0.425 2.623 -0.176) 2.663 11.242 ( -2.413 -2.305 -0.074) 3.337 11.431 ( -8.347 2.370 5.149) 10.090 11.545 ( -7.064 2.082 -7.659) 10.625 11.640 ( -5.108 4.451 1.877) 7.030 11.807 ( -3.794 2.312 2.037) 4.888 11.950 ( 5.779 4.213 -0.473) 7.167 12.246 ( -3.120 1.500 -0.139) 3.464 12.669 ( -1.987 -0.126 0.144) 1.996 12.747 ( 0.065 0.041 -0.381) 0.389 12.825 ( 1.858 -0.000 0.033) 1.859 12.842 ( -0.815 -2.804 0.476) 2.958 12.914 ( 0.531 0.724 -0.026) 0.898 12.929 ( -2.286 -2.307 0.077) 3.249 13.019 ( 5.269 1.035 -0.166) 5.372 13.028 ( -0.082 -0.365 0.188) 0.419 13.098 ( 0.863 -1.541 0.135) 1.772 13.124 ( 0.082 0.967 -0.903) 1.326 13.153 ( 0.513 -0.547 0.468) 0.884 13.287 ( -0.684 -2.258 0.463) 2.404 13.331 ( 0.179 -2.390 -0.757) 2.514 13.370 ( 2.413 -0.998 -0.401) 2.642 13.479 ( -0.642 -1.151 0.206) 1.335 13.595 ( -2.604 -2.347 0.920) 3.624 13.603 ( -3.606 -3.301 1.296) 5.058 13.633 ( 0.210 -1.229 0.132) 1.254 13.784 ( 2.781 -0.371 -2.641) 3.854 13.848 ( 1.709 2.091 -0.043) 2.701 13.862 ( -1.097 -0.353 0.350) 1.204 13.926 ( 2.609 0.013 0.655) 2.690 13.978 ( 1.407 -1.429 -0.737) 2.136 13.987 ( 4.540 0.786 0.448) 4.629 14.170 ( 2.767 -1.906 0.219) 3.367 14.318 ( 1.334 0.674 -1.096) 1.854 14.356 ( 0.286 -0.871 1.603) 1.847 14.430 ( -0.836 0.721 -0.512) 1.216 14.880 ( 2.988 0.891 0.325) 3.135 15.034 ( 3.308 0.111 -1.805) 3.770 15.181 ( 2.328 -2.351 2.866) 4.377 15.234 ( 1.149 -5.067 -1.989) 5.563 15.340 ( -1.982 -1.448 0.626) 2.533 15.383 ( -3.051 -1.724 -0.117) 3.507 15.658 ( -0.770 -1.601 0.251) 1.794 15.756 ( 1.522 -1.147 -0.061) 1.907 15.870 ( 0.748 -2.549 0.078) 2.658 15.935 ( -0.707 -3.090 -0.044) 3.170 16.082 ( -0.460 1.916 -0.158) 1.976 16.399 ( -2.124 -2.804 -0.012) 3.517 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( 11.654 -1.183 -0.816) 11.742 4.377 ( 0.853 0.291 9.176) 9.220 4.661 ( 8.569 -0.587 -11.389) 14.265 4.806 ( 4.124 3.065 -1.956) 5.498 5.244 ( -1.407 4.205 2.531) 5.106 5.288 ( 4.540 4.536 0.835) 6.472 5.494 ( 1.660 -3.745 1.696) 4.434 5.621 ( -5.181 5.786 3.669) 8.590 5.694 ( -2.513 3.659 2.157) 4.935 5.822 ( -6.663 -13.286 -0.405) 14.868 5.864 ( -8.305 -1.298 4.381) 9.479 5.948 ( 0.980 -11.410 -5.292) 12.616 5.969 ( -3.343 5.350 -2.408) 6.752 6.037 ( 1.530 -3.906 -11.862) 12.582 6.109 ( 9.477 -9.382 -4.251) 13.996 6.246 ( 6.972 7.613 8.510) 13.379 6.262 ( 7.990 -5.697 5.965) 11.484 6.370 ( 2.964 4.796 6.417) 8.542 6.474 ( 2.984 -8.768 0.741) 9.292 6.538 ( -5.074 0.275 -7.087) 8.721 6.585 ( 1.621 4.343 -3.586) 5.861 6.677 ( -6.104 -4.896 4.345) 8.951 6.824 ( -0.178 6.695 2.927) 7.309 6.913 ( 0.588 -0.453 -1.144) 1.364 6.961 ( -4.757 6.637 -4.542) 9.343 7.061 ( 2.594 -3.288 -1.319) 4.391 7.181 ( 3.954 2.040 3.011) 5.373 7.274 ( 10.279 -2.315 1.590) 10.656 7.315 ( 4.354 3.132 -2.260) 5.820 7.394 ( 2.844 2.012 1.565) 3.819 7.444 ( -1.288 4.451 -2.414) 5.225 7.527 ( -6.240 2.307 3.090) 7.335 7.560 ( 6.055 -2.728 1.198) 6.749 7.607 ( -1.357 1.702 -4.236) 4.762 7.673 ( 2.100 7.548 4.425) 8.998 7.783 ( 4.534 -7.780 1.934) 9.210 7.870 ( 1.170 4.828 -3.767) 6.234 7.898 ( 6.772 -11.083 -0.384) 12.994 7.942 ( 0.068 11.110 -4.159) 11.863 7.988 ( 1.116 10.798 -0.347) 10.861 8.050 ( 2.576 2.180 1.156) 3.567 8.158 ( 6.294 0.477 0.322) 6.320 8.313 ( 5.398 -2.652 -1.885) 6.303 8.367 ( 3.025 1.839 1.378) 3.798 8.407 ( -0.902 2.975 -0.448) 3.141 8.503 ( 1.179 -3.260 3.089) 4.643 8.678 ( 11.411 -12.910 4.021) 17.694 8.732 ( 0.601 9.087 1.433) 9.219 8.830 ( -2.044 11.952 -8.437) 14.772 8.985 ( -1.741 -1.210 3.018) 3.689 9.067 ( -2.332 -3.337 -0.872) 4.164 9.208 ( -3.999 5.631 3.538) 7.760 9.337 ( -0.726 -3.276 0.092) 3.357 9.428 ( -0.466 5.626 -1.256) 5.784 9.482 ( 0.299 -7.696 -2.654) 8.146 9.601 ( -0.339 2.043 -2.570) 3.301 9.700 ( -1.550 5.568 7.251) 9.273 9.775 ( -5.585 6.603 -3.698) 9.406 10.050 ( -5.087 -3.075 -0.063) 5.945 10.169 ( -5.493 -1.675 -4.290) 7.168 10.281 ( 1.283 -1.145 -1.160) 2.075 10.330 ( -1.611 5.363 5.411) 7.787 10.461 ( -6.588 -1.055 2.107) 6.997 10.549 ( -5.694 -0.307 0.460) 5.721 10.605 ( -0.599 1.049 -1.397) 1.847 10.669 ( -5.276 -1.240 -1.168) 5.544 10.704 ( -1.323 -0.798 3.669) 3.980 10.757 ( -2.739 0.270 0.249) 2.764 10.847 ( -3.271 0.590 -3.140) 4.572 10.900 ( -0.309 -1.119 -0.146) 1.170 11.023 ( -4.097 0.987 -2.931) 5.133 11.107 ( -0.928 1.099 0.399) 1.492 11.181 ( -1.356 0.937 0.406) 1.697 11.286 ( -0.151 -3.559 1.312) 3.796 11.347 ( -7.457 -0.406 2.456) 7.862 11.445 ( -11.259 -0.848 -1.384) 11.376 11.558 ( -2.919 0.958 -3.174) 4.417 11.763 ( -3.316 -0.039 4.039) 5.226 11.959 ( 8.772 1.819 -1.779) 9.133 12.255 ( 3.767 -2.178 0.112) 4.353 12.677 ( 0.787 -1.233 0.365) 1.508 12.757 ( 1.822 -0.300 -0.816) 2.019 12.834 ( 1.552 0.722 0.120) 1.716 12.881 ( 0.545 -1.256 -0.038) 1.370 12.909 ( 0.303 -0.396 0.762) 0.911 12.936 ( -1.514 -0.538 0.112) 1.611 13.027 ( 1.232 0.901 0.124) 1.532 13.054 ( 5.852 0.867 -0.407) 5.929 13.112 ( 0.377 -0.391 -0.175) 0.571 13.132 ( -0.964 -1.048 -0.891) 1.680 13.167 ( 2.006 0.402 0.826) 2.206 13.300 ( -1.685 -0.579 0.141) 1.787 13.355 ( -0.971 -0.371 -1.567) 1.881 13.391 ( 0.585 0.394 0.230) 0.741 13.491 ( -0.973 -0.685 0.413) 1.260 13.577 ( -6.333 -2.091 2.035) 6.973 13.642 ( 0.097 -0.390 1.295) 1.356 13.649 ( -3.522 -2.878 -0.714) 4.604 13.793 ( 2.143 1.206 -3.661) 4.410 13.823 ( 0.767 1.298 0.914) 1.763 13.870 ( -0.506 0.009 1.492) 1.575 13.915 ( 2.214 2.680 -0.162) 3.480 13.998 ( 1.556 0.147 -0.631) 1.686 14.025 ( 4.251 0.576 -0.116) 4.291 14.218 ( 0.598 -1.552 0.404) 1.712 14.309 ( 0.296 1.890 -0.156) 1.919 14.334 ( -0.807 0.862 0.488) 1.278 14.427 ( -0.353 -0.082 -0.255) 0.443 14.867 ( 0.576 2.093 0.383) 2.204 15.052 ( 4.020 1.274 -2.963) 5.154 15.213 ( -0.304 0.425 3.756) 3.792 15.301 ( -0.232 -2.002 -0.978) 2.240 15.380 ( 1.046 -1.990 -0.174) 2.255 15.399 ( 0.636 -2.168 -0.087) 2.261 15.665 ( -2.102 -0.660 0.058) 2.204 15.767 ( -0.046 0.761 0.064) 0.765 15.914 ( 0.728 -0.937 -0.138) 1.194 15.970 ( -0.601 -1.406 -0.011) 1.529 16.068 ( 2.415 -0.063 -0.021) 2.416 16.419 ( -2.763 -1.746 -0.006) 3.268 ======================= Grid point 18 (13/72) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( -7.623 30.597 2.934) 31.668 4.303 ( 1.708 13.473 -10.892) 17.409 4.495 ( -8.629 25.631 8.149) 28.246 4.837 ( 1.327 10.498 0.569) 10.597 5.011 ( -9.552 21.085 5.066) 23.696 5.182 ( -3.618 -0.833 0.795) 3.797 5.228 ( -14.820 22.718 -9.196) 28.641 5.406 ( 0.848 12.716 -6.983) 14.532 5.546 ( 1.435 2.486 5.437) 6.148 5.655 ( -6.787 9.702 2.539) 12.109 5.819 ( -3.414 19.712 -2.920) 20.217 5.894 ( -2.573 11.176 12.217) 16.757 5.951 ( -6.968 -1.107 3.788) 8.007 6.059 ( -3.430 21.364 -3.088) 21.856 6.122 ( -0.999 0.175 -12.962) 13.002 6.194 ( 2.665 -0.328 -1.817) 3.242 6.233 ( -5.749 1.941 -2.390) 6.522 6.360 ( -0.958 2.591 8.534) 8.970 6.431 ( -3.391 5.225 6.467) 8.978 6.494 ( -3.120 6.901 2.743) 8.055 6.541 ( 1.947 6.210 -4.069) 7.675 6.619 ( -1.531 8.030 1.846) 8.380 6.719 ( -5.228 10.285 -3.824) 12.154 6.857 ( -3.324 5.636 -5.222) 8.371 6.927 ( -0.151 -2.078 4.341) 4.815 6.977 ( -2.872 13.439 -7.223) 15.525 7.128 ( 0.668 4.300 2.138) 4.849 7.237 ( 2.258 -1.195 4.541) 5.210 7.281 ( -0.563 -0.278 0.330) 0.710 7.346 ( -3.049 2.976 -0.726) 4.322 7.368 ( -3.694 3.506 2.400) 5.630 7.490 ( -3.287 6.601 -4.058) 8.417 7.542 ( 4.196 4.254 -2.356) 6.423 7.596 ( 1.571 0.810 0.829) 1.952 7.644 ( 0.367 4.268 -1.383) 4.501 7.684 ( 3.670 -10.770 5.293) 12.550 7.811 ( 5.390 0.851 -1.264) 5.601 7.885 ( -1.049 -0.319 -0.602) 1.251 8.005 ( 1.893 -9.254 -2.619) 9.802 8.153 ( 10.508 -8.574 5.323) 14.569 8.189 ( 4.492 0.699 -5.585) 7.201 8.285 ( 7.151 -8.605 -6.272) 12.826 8.322 ( 10.382 -10.994 7.281) 16.783 8.404 ( 4.014 2.011 -1.003) 4.600 8.515 ( 1.390 -0.909 -0.710) 1.807 8.558 ( 3.814 -0.553 1.270) 4.058 8.744 ( 2.264 -7.892 -3.466) 8.912 8.796 ( 7.608 -5.525 8.281) 12.529 8.823 ( 2.472 -9.622 2.021) 10.138 9.073 ( 4.082 -7.091 1.661) 8.349 9.251 ( -0.916 -2.063 -2.802) 3.598 9.271 ( 1.781 -6.746 -6.548) 9.569 9.307 ( 6.253 -4.811 7.982) 11.223 9.465 ( 1.904 -2.215 -6.090) 6.754 9.550 ( -1.704 -3.089 -1.188) 3.723 9.680 ( 3.061 -5.231 -1.472) 6.237 9.726 ( -3.230 -10.052 3.393) 11.090 9.968 ( 9.952 -24.426 -2.181) 26.466 10.116 ( -1.697 -6.944 -1.426) 7.289 10.221 ( -3.548 -7.471 0.637) 8.295 10.276 ( -0.355 -0.885 9.197) 9.246 10.316 ( 1.560 -1.667 -4.928) 5.431 10.457 ( -6.844 -3.572 2.462) 8.103 10.560 ( -5.446 -7.225 0.361) 9.055 10.602 ( -1.784 -1.415 -2.161) 3.139 10.669 ( -3.005 -3.099 -0.729) 4.378 10.730 ( -2.285 -0.197 -2.134) 3.133 10.754 ( 0.019 -5.201 2.676) 5.849 10.835 ( -2.564 -2.434 -0.975) 3.668 10.923 ( -1.320 -1.525 -0.423) 2.060 10.974 ( -5.223 -0.613 -0.239) 5.264 11.087 ( -0.555 -0.345 -4.060) 4.112 11.178 ( -1.740 -2.014 2.713) 3.800 11.297 ( -1.685 1.721 4.686) 5.268 11.376 ( -4.841 -8.223 0.647) 9.564 11.423 ( -8.279 -6.929 -2.229) 11.024 11.535 ( -3.350 -2.462 -3.350) 5.339 11.761 ( -0.565 -1.788 3.202) 3.711 12.045 ( 11.232 -1.455 -1.304) 11.401 12.351 ( 4.713 -3.184 0.206) 5.692 12.724 ( 3.403 -1.734 0.887) 3.921 12.788 ( 3.230 -0.703 -1.298) 3.552 12.827 ( 1.099 1.137 -0.113) 1.586 12.892 ( 0.142 -0.187 0.423) 0.483 12.924 ( -0.052 0.460 -0.359) 0.586 12.949 ( 1.659 -1.595 0.837) 2.449 13.011 ( 1.117 2.062 -0.073) 2.346 13.086 ( 3.324 0.318 -0.304) 3.353 13.117 ( -0.038 0.460 0.390) 0.605 13.134 ( 1.849 0.655 -1.521) 2.482 13.179 ( 2.539 0.330 1.188) 2.822 13.284 ( -3.023 0.149 0.148) 3.030 13.322 ( -1.608 2.157 -1.419) 3.042 13.368 ( -0.501 1.972 -0.328) 2.061 13.487 ( -2.135 -0.449 0.483) 2.234 13.540 ( -6.040 0.172 2.766) 6.645 13.642 ( -5.721 -1.029 -0.971) 5.893 13.668 ( 2.148 0.194 -0.454) 2.204 13.781 ( -1.464 0.436 0.261) 1.550 13.813 ( 0.952 1.038 -0.992) 1.722 13.840 ( -1.193 1.383 0.553) 1.909 13.893 ( 4.025 2.622 -0.062) 4.805 13.997 ( 1.433 1.374 0.150) 1.992 14.026 ( 3.082 3.023 -0.353) 4.332 14.216 ( -1.139 2.208 0.617) 2.559 14.274 ( -3.392 -1.173 -0.951) 3.713 14.337 ( 1.673 0.285 0.534) 1.779 14.410 ( -1.508 0.936 0.115) 1.778 14.828 ( -0.132 2.104 0.276) 2.127 15.051 ( 3.182 2.178 -4.229) 5.723 15.174 ( -2.041 2.544 4.923) 5.905 15.299 ( -0.101 2.057 -0.579) 2.139 15.416 ( 3.060 -0.717 -0.534) 3.188 15.457 ( 2.597 -1.511 0.053) 3.005 15.648 ( -2.767 0.068 -0.146) 2.772 15.730 ( -1.934 2.202 0.044) 2.931 15.912 ( 0.792 1.349 -0.026) 1.564 15.971 ( -0.702 0.748 0.032) 1.026 16.125 ( 5.076 -1.856 -0.017) 5.405 16.412 ( -3.096 -0.407 -0.003) 3.122 ======================= Grid point 19 (14/72) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -8.468 36.302 1.362) 37.301 3.810 ( -16.508 36.900 0.317) 40.426 3.941 ( -1.956 25.453 -13.295) 28.783 4.288 ( -5.556 34.814 10.686) 36.839 4.351 ( -20.703 33.660 16.672) 42.890 4.541 ( -15.696 34.217 -16.620) 41.151 4.982 ( -1.598 43.474 4.080) 43.694 5.167 ( -6.938 28.575 -1.327) 29.435 5.266 ( -7.591 19.709 -4.268) 21.547 5.335 ( -4.518 23.684 1.445) 24.154 5.473 ( -10.372 18.871 9.024) 23.348 5.486 ( 0.882 1.019 -7.919) 8.033 5.719 ( -1.868 13.426 -1.867) 13.683 5.898 ( -7.321 30.352 6.362) 31.864 5.907 ( 1.966 14.292 2.741) 14.684 5.995 ( -1.920 14.037 -3.721) 14.648 6.106 ( -2.547 9.235 -8.464) 12.784 6.165 ( -1.135 9.873 1.603) 10.067 6.198 ( -10.646 11.312 1.067) 15.571 6.284 ( -2.238 10.724 -1.656) 11.080 6.371 ( -5.200 14.880 1.983) 15.887 6.443 ( -11.985 -0.185 10.196) 15.736 6.560 ( 1.016 7.522 -10.950) 13.323 6.710 ( 2.417 6.048 2.574) 7.003 6.776 ( -7.068 4.843 2.948) 9.061 6.852 ( 2.828 -2.849 -3.479) 5.312 7.068 ( -3.190 2.540 -6.203) 7.424 7.211 ( -5.168 -3.578 3.581) 7.235 7.250 ( -2.657 -3.915 0.745) 4.789 7.284 ( -0.892 3.133 2.138) 3.897 7.407 ( -0.271 -4.378 1.885) 4.774 7.490 ( -0.377 -6.822 -4.529) 8.197 7.600 ( 5.008 -4.346 6.107) 9.015 7.658 ( 5.970 -9.632 -5.314) 12.516 7.814 ( 12.620 -13.934 0.110) 18.800 7.934 ( 2.339 -12.675 0.967) 12.926 7.983 ( 8.454 -5.909 2.726) 10.668 8.073 ( 10.316 -12.134 4.414) 16.527 8.168 ( 6.927 -6.939 -9.027) 13.327 8.291 ( 2.464 -7.797 2.552) 8.566 8.389 ( 1.598 -6.038 -0.148) 6.248 8.437 ( 3.525 -5.011 -4.121) 7.383 8.504 ( 3.027 -4.359 3.153) 6.173 8.540 ( 7.686 -11.243 6.431) 15.061 8.620 ( 1.291 -8.512 -3.327) 9.230 8.702 ( 3.672 -9.462 2.323) 10.413 8.779 ( -2.807 -2.879 -4.098) 5.741 9.028 ( 7.136 -5.139 1.621) 8.942 9.102 ( 6.631 -12.294 2.582) 14.205 9.255 ( 3.462 -3.587 7.172) 8.734 9.304 ( -0.414 -0.544 -12.047) 12.066 9.345 ( -0.765 -9.515 1.012) 9.599 9.387 ( 3.085 -5.942 -3.983) 7.791 9.564 ( -3.965 -9.597 5.027) 11.537 9.696 ( 4.070 -10.870 -5.399) 12.801 9.896 ( 2.067 -9.360 7.576) 12.218 9.909 ( -0.065 -12.045 -3.237) 12.472 10.154 ( 1.893 -0.785 -3.376) 3.949 10.289 ( -0.290 -0.298 7.904) 7.915 10.308 ( -1.980 -2.529 -4.570) 5.586 10.353 ( -0.196 -7.306 2.662) 7.778 10.469 ( -6.881 -3.551 -0.081) 7.744 10.577 ( 4.096 -21.577 -1.112) 21.990 10.632 ( -0.133 -4.401 -2.880) 5.261 10.675 ( -2.118 -4.272 2.341) 5.312 10.723 ( -0.122 -4.640 0.879) 4.724 10.748 ( -0.840 -6.725 -1.584) 6.960 10.878 ( 0.361 -4.206 -0.731) 4.284 10.915 ( -0.285 -8.797 0.810) 8.839 10.938 ( -1.283 -2.765 -1.035) 3.219 11.020 ( -4.680 -13.625 1.653) 14.501 11.101 ( -1.419 -1.977 -7.145) 7.548 11.212 ( -2.985 -0.380 8.213) 8.747 11.269 ( 0.425 -3.664 -0.826) 3.780 11.520 ( -2.516 -10.771 -1.679) 11.187 11.542 ( -4.799 -14.045 0.841) 14.866 11.628 ( 1.381 -8.468 -1.503) 8.711 11.816 ( 1.054 -3.432 1.369) 3.842 12.184 ( 10.097 -3.135 -0.463) 10.583 12.429 ( 1.812 -2.020 0.166) 2.719 12.793 ( 3.599 -1.766 1.240) 4.196 12.810 ( 2.637 1.325 0.042) 2.951 12.837 ( 2.678 -0.684 -1.529) 3.159 12.897 ( 0.284 -0.188 0.789) 0.860 12.910 ( 1.007 1.476 -0.051) 1.788 12.960 ( -1.704 1.405 -0.794) 2.347 13.001 ( 3.393 0.240 0.289) 3.414 13.073 ( -0.493 1.971 -0.333) 2.059 13.121 ( 2.018 0.713 1.198) 2.452 13.131 ( 2.823 2.049 -1.769) 3.911 13.194 ( 0.767 0.791 0.825) 1.377 13.222 ( -3.360 2.749 -0.021) 4.341 13.281 ( -1.412 1.141 -0.695) 1.944 13.336 ( 2.313 1.245 0.440) 2.663 13.454 ( -4.578 0.945 0.455) 4.696 13.508 ( -0.153 0.059 0.276) 0.321 13.588 ( -6.255 0.928 0.362) 6.333 13.638 ( -0.812 2.988 -1.146) 3.302 13.727 ( -5.500 2.039 1.424) 6.036 13.769 ( -2.394 1.777 -1.160) 3.199 13.840 ( 5.758 3.593 0.179) 6.790 13.906 ( 2.969 -0.154 -0.086) 2.974 13.973 ( 0.020 2.675 -0.489) 2.720 13.982 ( 1.727 2.532 0.606) 3.124 14.149 ( -0.954 3.685 -0.379) 3.826 14.268 ( -2.533 -0.606 0.099) 2.606 14.338 ( 0.542 1.092 0.920) 1.527 14.379 ( -3.174 -0.407 -0.532) 3.244 14.800 ( 0.677 1.186 0.305) 1.400 15.022 ( 1.177 2.738 -4.865) 5.705 15.108 ( -1.604 3.133 5.497) 6.527 15.233 ( 0.551 5.229 -1.094) 5.370 15.453 ( 3.769 0.157 0.272) 3.782 15.488 ( 2.203 0.503 -0.121) 2.263 15.616 ( -2.598 0.803 -0.622) 2.789 15.663 ( -2.818 2.731 0.424) 3.946 15.889 ( 1.385 2.259 0.016) 2.650 15.935 ( -0.841 2.371 -0.026) 2.516 16.200 ( 5.262 -0.968 0.050) 5.350 16.381 ( -3.037 0.875 -0.040) 3.161 ======================= Grid point 20 (15/72) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -6.596 39.537 0.197) 40.084 2.903 ( -15.080 46.599 -0.685) 48.983 3.385 ( -4.186 32.379 -15.716) 36.234 3.558 ( -14.371 36.724 16.580) 42.779 3.587 ( -2.727 40.796 12.132) 42.649 3.758 ( -10.065 37.974 -16.715) 42.694 3.938 ( -9.682 57.763 2.299) 58.614 4.624 ( -4.472 27.554 10.864) 29.954 4.742 ( -4.762 29.752 14.374) 33.384 4.789 ( -4.872 26.710 -24.412) 36.512 4.867 ( -11.022 28.537 1.679) 30.637 5.141 ( -5.184 37.768 7.047) 38.768 5.329 ( -3.384 32.809 -6.404) 33.599 5.404 ( -2.788 22.170 -2.049) 22.439 5.610 ( -1.732 10.690 2.733) 11.169 5.672 ( -3.404 27.297 1.201) 27.535 5.775 ( -6.232 17.409 -7.611) 19.996 5.797 ( -4.597 7.770 5.820) 10.741 5.965 ( -3.684 17.432 -1.740) 17.902 6.174 ( -4.596 10.024 -1.686) 11.155 6.206 ( 11.082 -5.260 -11.221) 16.625 6.414 ( -12.604 -8.281 15.608) 21.704 6.559 ( 5.642 -2.893 -6.994) 9.440 6.662 ( -1.570 -0.657 6.621) 6.836 6.762 ( 1.634 -3.431 -3.085) 4.895 6.938 ( 3.393 -2.746 -1.329) 4.563 7.090 ( 0.009 -3.343 -0.548) 3.388 7.184 ( -8.988 -2.128 2.430) 9.551 7.390 ( 4.157 -9.195 2.296) 10.349 7.407 ( 3.027 -12.257 0.566) 12.638 7.530 ( 0.187 -7.720 1.055) 7.794 7.629 ( 2.594 -8.246 -6.865) 11.039 7.739 ( 1.103 -7.435 5.464) 9.292 7.989 ( 9.012 -15.072 2.576) 17.749 8.103 ( 6.491 -6.338 -2.343) 9.370 8.135 ( 10.857 -8.384 2.928) 14.026 8.189 ( 1.426 -8.964 -2.761) 9.488 8.312 ( 3.768 -6.533 -4.533) 8.799 8.371 ( 3.241 -6.350 1.064) 7.208 8.464 ( -1.483 -4.234 -1.675) 4.789 8.497 ( 1.705 -11.490 5.149) 12.706 8.574 ( 4.502 -7.435 -6.269) 10.717 8.619 ( -0.838 -7.046 4.801) 8.567 8.720 ( -3.892 -10.623 -2.066) 11.501 8.792 ( -2.225 -3.416 -0.732) 4.142 8.867 ( 5.486 -11.751 0.383) 12.974 8.928 ( 0.840 -11.526 3.679) 12.128 9.103 ( 3.958 2.912 -4.696) 6.797 9.264 ( 3.652 -2.658 1.098) 4.649 9.328 ( -0.660 -8.878 -0.445) 8.914 9.380 ( -1.542 -5.872 1.349) 6.220 9.477 ( 0.052 -5.284 0.290) 5.292 9.586 ( 1.175 -4.432 -2.289) 5.125 9.715 ( -1.550 -17.200 2.668) 17.474 9.953 ( 0.509 -5.263 0.910) 5.365 10.041 ( 2.171 -9.692 3.110) 10.407 10.085 ( -1.548 -8.315 -5.469) 10.072 10.212 ( 3.901 -2.091 -3.279) 5.508 10.245 ( 0.117 1.281 3.172) 3.422 10.367 ( -3.231 -5.345 4.731) 7.835 10.425 ( -3.384 -2.138 -1.613) 4.316 10.501 ( -0.492 -5.678 0.127) 5.701 10.665 ( -3.666 -3.088 -3.089) 5.703 10.724 ( 0.658 -1.938 3.485) 4.042 10.763 ( -2.082 -3.956 -3.843) 5.895 10.857 ( 0.472 -3.939 2.137) 4.506 10.921 ( 2.500 -10.479 -0.806) 10.804 10.973 ( 0.237 -2.024 -0.024) 2.038 10.985 ( 3.818 -6.216 -1.161) 7.387 11.062 ( -0.723 -6.689 1.495) 6.892 11.108 ( -2.272 -1.307 -0.539) 2.676 11.161 ( -2.797 1.072 1.246) 3.244 11.416 ( 0.373 -26.342 -1.414) 26.383 11.476 ( 1.791 -15.534 0.969) 15.666 11.750 ( 1.674 -14.533 -1.989) 14.763 11.788 ( -2.429 -14.862 3.103) 15.376 11.827 ( 2.420 -11.315 -1.354) 11.650 11.896 ( -0.833 -5.429 -0.220) 5.497 12.313 ( 5.749 -2.948 0.102) 6.462 12.459 ( -0.077 -0.885 -0.035) 0.889 12.794 ( 0.752 1.135 0.033) 1.362 12.849 ( 0.710 0.794 -0.294) 1.105 12.858 ( 3.780 0.171 0.781) 3.863 12.887 ( 1.223 2.073 0.724) 2.513 12.899 ( 0.276 1.174 -0.498) 1.305 12.915 ( -1.414 1.493 -0.733) 2.184 13.015 ( 0.795 1.571 0.281) 1.783 13.033 ( 1.193 1.602 -0.210) 2.008 13.103 ( 0.013 1.838 1.293) 2.247 13.109 ( 2.408 2.942 -1.336) 4.030 13.128 ( -3.672 2.147 -0.654) 4.303 13.186 ( -0.076 1.185 0.288) 1.221 13.245 ( -0.770 1.978 -0.726) 2.243 13.361 ( 4.498 1.090 4.152) 6.218 13.404 ( -1.296 1.295 -2.754) 3.308 13.490 ( -3.155 1.216 -0.576) 3.430 13.541 ( -0.545 -0.297 0.683) 0.923 13.579 ( 0.153 2.349 -1.597) 2.844 13.638 ( -6.267 1.594 1.429) 6.623 13.715 ( -1.482 2.274 -0.081) 2.716 13.797 ( 3.794 5.766 -0.023) 6.902 13.870 ( -1.262 3.463 -0.162) 3.689 13.937 ( -0.091 1.449 -0.647) 1.589 13.973 ( 1.507 1.315 1.856) 2.728 14.064 ( -1.899 4.485 -2.687) 5.562 14.252 ( 2.343 3.747 3.898) 5.893 14.320 ( -0.919 -1.645 -2.525) 3.151 14.376 ( -3.373 -1.917 0.183) 3.884 14.792 ( 0.461 0.517 0.357) 0.779 14.978 ( 0.205 2.109 -2.786) 3.500 15.046 ( -0.882 2.737 2.860) 4.055 15.132 ( 0.624 5.915 -0.600) 5.978 15.471 ( 2.177 1.136 0.557) 2.518 15.480 ( 1.493 1.823 -0.339) 2.380 15.574 ( -2.247 1.597 -0.747) 2.857 15.591 ( -1.363 2.921 0.581) 3.275 15.858 ( 1.436 2.353 -0.079) 2.758 15.879 ( -0.890 2.647 0.079) 2.794 16.240 ( 3.148 0.882 0.149) 3.273 16.334 ( -1.904 1.607 -0.144) 2.496 ======================= Grid point 21 (16/72) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.000 41.989 0.000) 41.989 1.930 ( 0.000 51.827 0.000) 51.827 2.531 ( 0.000 64.506 0.000) 64.506 2.802 ( 0.000 34.724 0.000) 34.724 2.861 ( 0.000 32.970 0.000) 32.970 3.010 ( 0.000 37.563 0.000) 37.563 3.049 ( 0.000 36.544 0.000) 36.544 4.143 ( 0.000 23.126 0.000) 23.126 4.229 ( 0.000 23.798 0.000) 23.798 4.291 ( 0.000 22.811 0.000) 22.811 4.345 ( 0.000 24.125 0.000) 24.125 4.508 ( 0.000 27.429 0.000) 27.429 4.748 ( 0.000 27.473 0.000) 27.473 4.988 ( 0.000 21.260 0.000) 21.260 5.115 ( 0.000 26.944 0.000) 26.944 5.242 ( 0.000 21.757 0.000) 21.757 5.460 ( 0.000 13.432 0.000) 13.432 5.603 ( 0.000 14.615 0.000) 14.615 5.891 ( -0.000 -5.893 -0.000) 5.893 5.928 ( 0.000 11.801 0.000) 11.801 6.382 ( -0.000 -5.317 -0.000) 5.317 6.520 ( -0.000 -9.738 -0.000) 9.738 6.673 ( -0.000 -4.792 -0.000) 4.792 6.694 ( -0.000 -3.652 -0.000) 3.652 6.849 ( -0.000 -4.464 -0.000) 4.464 6.991 ( 0.000 0.469 0.000) 0.469 7.124 ( 0.000 1.152 0.000) 1.152 7.155 ( -0.000 -2.683 -0.000) 2.683 7.605 ( -0.000 -1.804 -0.000) 1.804 7.618 ( -0.000 -10.892 -0.000) 10.892 7.673 ( -0.000 -13.792 -0.000) 13.792 7.822 ( -0.000 -9.645 -0.000) 9.645 7.865 ( -0.000 -6.822 -0.000) 6.822 8.214 ( -0.000 -1.901 -0.000) 1.901 8.309 ( -0.000 -12.066 -0.000) 12.066 8.323 ( -0.000 -7.755 -0.000) 7.755 8.343 ( -0.000 -5.432 -0.000) 5.432 8.390 ( -0.000 -1.723 -0.000) 1.723 8.428 ( -0.000 -4.922 -0.000) 4.922 8.565 ( -0.000 -5.153 -0.000) 5.153 8.583 ( -0.000 -0.078 -0.000) 0.078 8.757 ( -0.000 -5.503 -0.000) 5.503 8.771 ( -0.000 -12.730 -0.000) 12.730 8.901 ( -0.000 -10.071 -0.000) 10.071 8.950 ( -0.000 -13.246 -0.000) 13.246 9.017 ( 0.000 2.122 0.000) 2.122 9.098 ( -0.000 -7.709 -0.000) 7.709 9.122 ( -0.000 -9.461 -0.000) 9.461 9.373 ( -0.000 -1.290 -0.000) 1.290 9.399 ( -0.000 -4.920 -0.000) 4.920 9.464 ( -0.000 -3.794 -0.000) 3.794 9.592 ( -0.000 -7.767 -0.000) 7.767 9.675 ( -0.000 -5.450 -0.000) 5.450 9.924 ( 0.000 3.508 0.000) 3.508 10.016 ( -0.000 -13.507 -0.000) 13.507 10.141 ( 0.000 5.767 0.000) 5.767 10.200 ( -0.000 -6.960 -0.000) 6.960 10.220 ( -0.000 -3.571 -0.000) 3.571 10.321 ( -0.000 -4.897 -0.000) 4.897 10.472 ( -0.000 -3.302 -0.000) 3.302 10.495 ( -0.000 -10.448 -0.000) 10.448 10.588 ( -0.000 -3.593 -0.000) 3.593 10.691 ( -0.000 -2.401 -0.000) 2.401 10.764 ( -0.000 -2.819 -0.000) 2.819 10.821 ( -0.000 -2.809 -0.000) 2.809 10.899 ( -0.000 -0.986 -0.000) 0.986 11.007 ( -0.000 -1.299 -0.000) 1.299 11.031 ( -0.000 -0.923 -0.000) 0.923 11.103 ( -0.000 -0.648 -0.000) 0.648 11.116 ( -0.000 -4.929 -0.000) 4.929 11.159 ( -0.000 -4.390 -0.000) 4.390 11.218 ( -0.000 -9.091 -0.000) 9.091 11.756 ( -0.000 -12.532 -0.000) 12.532 11.833 ( -0.000 -16.014 -0.000) 16.014 11.943 ( -0.000 -4.696 -0.000) 4.696 12.044 ( -0.000 -12.133 -0.000) 12.133 12.047 ( -0.000 -12.602 -0.000) 12.602 12.065 ( -0.000 -16.204 -0.000) 16.204 12.379 ( -0.000 -1.926 -0.000) 1.926 12.471 ( -0.000 -0.493 -0.000) 0.493 12.773 ( 0.000 1.852 0.000) 1.852 12.818 ( 0.000 2.999 0.000) 2.999 12.835 ( 0.000 3.920 0.000) 3.920 12.846 ( 0.000 2.802 0.000) 2.802 12.867 ( 0.000 1.509 0.000) 1.509 12.892 ( 0.000 1.209 0.000) 1.209 12.969 ( 0.000 2.185 0.000) 2.185 13.020 ( 0.000 1.977 0.000) 1.977 13.079 ( 0.000 0.676 0.000) 0.676 13.082 ( 0.000 0.943 0.000) 0.943 13.083 ( 0.000 0.795 0.000) 0.795 13.163 ( 0.000 1.922 0.000) 1.922 13.197 ( 0.000 2.279 0.000) 2.279 13.342 ( 0.000 3.202 0.000) 3.202 13.367 ( 0.000 1.451 0.000) 1.451 13.482 ( -0.000 -1.414 -0.000) 1.414 13.519 ( 0.000 2.660 0.000) 2.660 13.581 ( -0.000 -1.240 -0.000) 1.240 13.590 ( -0.000 -0.096 -0.000) 0.096 13.661 ( 0.000 3.144 0.000) 3.144 13.709 ( 0.000 4.910 0.000) 4.910 13.805 ( 0.000 3.092 0.000) 3.092 13.915 ( 0.000 0.724 0.000) 0.724 13.957 ( 0.000 1.257 0.000) 1.257 13.959 ( 0.000 4.902 0.000) 4.902 14.168 ( 0.000 6.010 0.000) 6.010 14.377 ( -0.000 -0.497 -0.000) 0.497 14.386 ( -0.000 -3.931 -0.000) 3.931 14.788 ( 0.000 0.110 0.000) 0.110 14.946 ( 0.000 1.880 0.000) 1.880 15.003 ( 0.000 1.506 0.000) 1.506 15.048 ( 0.000 3.206 0.000) 3.206 15.444 ( 0.000 2.079 0.000) 2.079 15.453 ( 0.000 2.124 0.000) 2.124 15.528 ( 0.000 2.075 0.000) 2.075 15.535 ( 0.000 2.787 0.000) 2.787 15.828 ( 0.000 2.123 0.000) 2.123 15.840 ( 0.000 0.556 0.000) 0.556 16.224 ( 0.000 1.881 0.000) 1.881 16.295 ( 0.000 1.921 0.000) 1.921 ======================= Grid point 24 (17/72) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 46.056 0.000 14.607) 48.317 2.135 ( 57.336 0.000 3.591) 57.448 2.884 ( 52.826 0.000 -12.712) 54.334 2.941 ( 55.298 0.000 -0.394) 55.299 3.128 ( 34.667 0.000 -36.715) 50.496 3.216 ( 49.879 0.000 20.430) 53.901 3.226 ( 39.364 0.000 32.733) 51.196 4.107 ( 35.662 0.000 -48.737) 60.391 4.204 ( 25.789 0.000 -21.084) 33.311 4.370 ( 26.709 0.000 12.223) 29.373 4.620 ( 37.086 0.000 2.811) 37.192 4.720 ( 31.065 0.000 -1.537) 31.103 4.893 ( 33.444 0.000 45.761) 56.680 4.911 ( 18.985 0.000 -0.851) 19.004 4.960 ( 20.239 0.000 1.056) 20.266 5.152 ( 16.820 0.000 6.973) 18.208 5.817 ( 24.959 0.000 -12.912) 28.101 5.903 ( 20.650 0.000 19.857) 28.648 5.977 ( -1.544 -0.000 -11.839) 11.939 6.147 ( -2.357 -0.000 10.882) 11.135 6.216 ( -6.604 -0.000 -1.049) 6.687 6.339 ( 16.880 0.000 0.072) 16.880 6.340 ( -16.418 -0.000 1.233) 16.464 6.753 ( -10.623 -0.000 3.965) 11.339 6.898 ( 4.189 0.000 -32.290) 32.561 6.943 ( 3.746 0.000 -8.376) 9.176 7.128 ( -17.706 -0.000 0.729) 17.721 7.251 ( -4.936 -0.000 -7.953) 9.360 7.456 ( -20.327 -0.000 -3.750) 20.670 7.535 ( -18.849 -0.000 13.364) 23.106 7.627 ( 10.652 0.000 7.817) 13.213 7.647 ( -10.000 -0.000 11.219) 15.029 7.691 ( -12.640 -0.000 -2.188) 12.828 7.921 ( -17.476 -0.000 -8.908) 19.615 8.095 ( -24.593 -0.000 1.636) 24.647 8.131 ( -11.363 -0.000 3.804) 11.983 8.173 ( -16.940 -0.000 2.213) 17.084 8.283 ( -1.380 -0.000 -0.980) 1.692 8.396 ( -11.328 -0.000 2.106) 11.522 8.511 ( -2.037 -0.000 -5.375) 5.748 8.590 ( 1.922 0.000 2.554) 3.196 8.779 ( 0.710 0.000 3.462) 3.534 8.886 ( -2.086 -0.000 0.131) 2.090 8.895 ( -6.495 -0.000 2.902) 7.114 9.046 ( 2.059 0.000 4.999) 5.407 9.232 ( 1.452 0.000 -5.739) 5.920 9.272 ( -1.449 -0.000 0.702) 1.610 9.460 ( -0.180 -0.000 -3.742) 3.747 9.495 ( -6.849 -0.000 -5.814) 8.984 9.535 ( -4.221 -0.000 -2.904) 5.124 9.671 ( 0.246 0.000 1.544) 1.563 9.678 ( -1.296 -0.000 7.536) 7.647 9.795 ( -1.136 -0.000 0.260) 1.165 9.841 ( -0.787 -0.000 4.430) 4.499 9.987 ( -0.505 -0.000 -12.851) 12.861 10.036 ( -6.749 -0.000 -2.169) 7.089 10.323 ( -1.820 -0.000 8.981) 9.164 10.385 ( -0.963 -0.000 1.746) 1.994 10.435 ( -2.792 -0.000 -8.951) 9.376 10.481 ( -4.576 -0.000 3.680) 5.873 10.686 ( 0.020 0.000 2.831) 2.831 10.722 ( -8.387 -0.000 -4.561) 9.547 10.769 ( -1.310 -0.000 2.570) 2.885 10.815 ( 0.405 0.000 1.750) 1.797 10.850 ( -5.065 -0.000 -0.488) 5.088 11.041 ( 4.592 0.000 -5.450) 7.126 11.054 ( 3.765 0.000 4.167) 5.616 11.094 ( -1.275 -0.000 2.699) 2.985 11.144 ( -0.079 -0.000 -1.109) 1.112 11.253 ( 0.606 0.000 -3.397) 3.451 11.425 ( -1.017 -0.000 2.403) 2.609 11.430 ( -1.565 -0.000 -1.504) 2.171 11.548 ( -11.408 -0.000 5.715) 12.760 11.578 ( -7.099 -0.000 -5.195) 8.797 11.804 ( -6.472 -0.000 -15.070) 16.401 11.854 ( -14.686 -0.000 9.496) 17.489 12.016 ( -11.735 -0.000 7.941) 14.169 12.236 ( -9.471 -0.000 -0.336) 9.477 12.387 ( -3.074 -0.000 -3.398) 4.582 12.426 ( -6.665 -0.000 2.402) 7.084 12.697 ( -0.168 -0.000 1.630) 1.638 12.731 ( -0.032 -0.000 -1.135) 1.135 12.758 ( 1.929 0.000 -0.680) 2.045 12.777 ( 1.421 0.000 -0.586) 1.537 12.778 ( 0.803 0.000 1.364) 1.583 12.815 ( 0.188 0.000 -1.586) 1.597 12.954 ( 1.826 0.000 1.438) 2.324 13.006 ( 0.701 0.000 1.104) 1.308 13.031 ( 1.677 0.000 0.259) 1.697 13.089 ( -3.248 -0.000 -2.443) 4.064 13.106 ( 3.274 0.000 -1.004) 3.425 13.198 ( 2.547 0.000 0.607) 2.619 13.236 ( 1.956 0.000 -3.592) 4.091 13.242 ( 2.386 0.000 5.114) 5.644 13.407 ( 0.934 0.000 2.537) 2.703 13.447 ( 0.477 0.000 -3.275) 3.309 13.469 ( -0.929 -0.000 2.781) 2.932 13.472 ( 0.684 0.000 -2.979) 3.056 13.653 ( 2.330 0.000 -0.041) 2.330 13.706 ( 1.335 0.000 -0.346) 1.379 13.771 ( 6.915 0.000 0.576) 6.939 13.887 ( 1.193 0.000 1.420) 1.854 13.944 ( 5.047 0.000 -0.436) 5.066 14.028 ( 2.506 0.000 4.685) 5.313 14.075 ( 3.729 0.000 -3.315) 4.989 14.163 ( -3.271 -0.000 -4.128) 5.266 14.417 ( 1.109 0.000 3.153) 3.342 14.461 ( -0.815 -0.000 -2.151) 2.300 14.840 ( 1.568 0.000 -2.129) 2.644 14.845 ( -2.175 -0.000 1.699) 2.760 14.988 ( 0.171 0.000 0.657) 0.678 15.038 ( 1.157 0.000 -1.310) 1.748 15.382 ( -0.489 -0.000 0.012) 0.490 15.424 ( -1.483 -0.000 -1.241) 1.934 15.553 ( -1.632 -0.000 3.476) 3.840 15.571 ( 3.938 0.000 -2.059) 4.443 15.801 ( -1.855 -0.000 -1.888) 2.647 15.846 ( -1.162 -0.000 4.966) 5.101 16.208 ( -1.986 -0.000 2.735) 3.380 16.219 ( 2.776 0.000 -2.529) 3.755 ======================= Grid point 25 (18/72) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 42.713 -14.208 11.369) 46.428 2.804 ( 47.392 -19.517 2.220) 51.302 3.362 ( 35.994 -9.643 -28.395) 46.849 3.482 ( 37.216 -7.118 25.862) 45.875 3.499 ( 32.590 -15.758 -31.717) 48.129 3.733 ( 39.080 -17.102 28.385) 51.239 3.901 ( 65.103 -14.119 8.034) 67.099 4.478 ( 31.687 -8.845 -15.776) 36.485 4.597 ( 31.959 -15.032 -30.608) 46.735 4.736 ( 36.180 -9.549 2.640) 37.512 5.002 ( 32.991 -7.122 -4.707) 34.078 5.058 ( 27.852 -7.932 7.465) 29.906 5.196 ( 19.418 -6.801 4.689) 21.102 5.216 ( 24.540 -11.464 -6.857) 27.940 5.311 ( 32.726 -8.534 24.614) 41.830 5.430 ( 20.202 -10.608 15.222) 27.429 5.832 ( -12.091 2.256 6.232) 13.789 5.945 ( -0.584 1.419 -10.911) 11.019 6.073 ( -3.605 -2.146 -1.418) 4.429 6.100 ( -7.887 -2.926 8.254) 11.786 6.285 ( 15.340 -3.115 -4.814) 16.377 6.341 ( 22.399 -3.151 13.135) 26.157 6.587 ( 15.570 -3.965 2.834) 16.315 6.677 ( 1.413 0.486 0.045) 1.495 6.903 ( -2.638 1.593 -15.251) 15.559 6.937 ( -9.222 -2.487 -2.958) 9.999 7.007 ( -3.080 -2.150 -16.271) 16.699 7.226 ( -1.696 -0.754 -3.565) 4.019 7.266 ( -21.521 -1.214 -6.305) 22.459 7.309 ( -18.530 4.056 3.254) 19.246 7.550 ( -9.593 2.738 8.122) 12.864 7.574 ( -7.130 4.802 -2.673) 9.003 7.667 ( -7.036 1.911 5.761) 9.293 7.759 ( -8.586 5.496 4.367) 11.091 7.826 ( -9.128 4.218 -5.029) 11.242 7.995 ( -14.393 1.392 -0.549) 14.471 8.097 ( -17.650 -5.288 -0.016) 18.425 8.195 ( -8.759 9.304 2.854) 13.093 8.259 ( -0.447 3.415 3.108) 4.639 8.481 ( -2.901 1.745 -4.348) 5.511 8.610 ( -0.145 2.298 6.828) 7.205 8.720 ( -3.604 3.357 0.771) 4.986 8.817 ( -6.436 3.788 1.415) 7.601 8.844 ( 0.111 3.407 3.528) 4.906 9.062 ( -1.034 1.596 5.529) 5.847 9.191 ( -2.471 5.378 -1.782) 6.181 9.231 ( -0.392 1.225 -4.061) 4.260 9.286 ( -4.882 13.308 -1.991) 14.314 9.370 ( -2.223 4.742 -3.048) 6.060 9.495 ( -5.193 1.507 -3.763) 6.588 9.619 ( -4.689 4.670 1.859) 6.874 9.678 ( -0.923 3.726 3.829) 5.422 9.709 ( -4.331 3.963 -0.621) 5.904 9.822 ( -4.291 1.179 3.870) 5.898 9.912 ( -4.353 0.725 -11.471) 12.290 10.047 ( -5.680 -3.342 -2.512) 7.053 10.282 ( -4.401 3.684 2.243) 6.163 10.306 ( -3.269 3.773 4.977) 7.050 10.400 ( -0.394 3.888 -1.826) 4.313 10.438 ( -7.563 -1.793 -1.492) 7.914 10.577 ( -5.478 4.129 2.189) 7.201 10.646 ( -4.156 4.363 -1.898) 6.317 10.695 ( -5.491 2.886 1.938) 6.499 10.816 ( -3.329 0.751 1.985) 3.948 10.842 ( -2.231 -0.668 2.536) 3.443 10.977 ( -2.827 6.746 -1.704) 7.510 11.018 ( -0.402 4.214 1.186) 4.396 11.072 ( 2.513 2.722 -1.929) 4.177 11.113 ( 0.721 2.880 -1.220) 3.210 11.228 ( 2.966 4.060 -1.867) 5.364 11.262 ( 1.640 8.557 0.906) 8.760 11.389 ( -2.736 3.776 1.469) 4.889 11.461 ( -6.228 -0.590 -1.783) 6.505 11.618 ( -10.233 -0.745 -3.398) 10.808 11.706 ( -14.054 2.121 8.899) 16.769 11.813 ( -10.825 -5.236 -12.169) 17.108 11.903 ( -11.114 0.603 7.460) 13.399 12.151 ( -10.598 0.843 0.694) 10.654 12.287 ( -6.210 5.056 0.025) 8.008 12.385 ( -6.238 -0.508 -0.222) 6.263 12.688 ( -0.139 -0.269 0.362) 0.472 12.734 ( -2.467 -0.967 -0.593) 2.715 12.768 ( -1.643 1.278 0.447) 2.128 12.789 ( 3.365 -0.587 -0.517) 3.455 12.804 ( 0.554 -1.296 0.341) 1.450 12.843 ( 2.583 -1.725 -0.581) 3.160 12.971 ( 2.012 -0.079 1.112) 2.300 13.025 ( -1.274 -0.402 0.867) 1.593 13.064 ( -0.494 -2.219 -1.191) 2.566 13.076 ( 2.158 -1.647 -0.428) 2.748 13.122 ( 4.222 1.550 -0.608) 4.538 13.208 ( 2.690 0.788 0.602) 2.867 13.260 ( 2.245 -0.952 -0.940) 2.614 13.271 ( 1.752 0.496 0.729) 1.961 13.431 ( 0.586 -1.456 3.546) 3.878 13.447 ( 1.403 -0.314 -0.706) 1.601 13.480 ( 0.330 -1.372 -0.191) 1.424 13.512 ( 1.471 -2.492 -2.612) 3.899 13.700 ( 2.265 -2.682 1.050) 3.664 13.730 ( 1.544 -0.547 -1.567) 2.267 13.806 ( 5.458 0.643 1.050) 5.595 13.925 ( 1.255 -2.572 -1.106) 3.068 13.987 ( 6.263 1.303 2.054) 6.719 14.028 ( 1.394 3.395 0.582) 3.716 14.071 ( 0.797 0.413 0.050) 0.899 14.163 ( 1.425 -2.190 -2.407) 3.553 14.390 ( 1.436 2.946 0.905) 3.400 14.462 ( -0.831 -0.494 -0.538) 1.106 14.838 ( -0.406 -0.813 1.574) 1.817 14.865 ( 1.023 -2.043 -1.326) 2.642 15.008 ( 0.356 -1.755 -0.302) 1.816 15.061 ( 1.871 -1.338 -1.046) 2.527 15.359 ( -2.248 0.922 -0.407) 2.464 15.423 ( -1.044 0.204 -0.740) 1.296 15.531 ( -1.200 -0.189 3.063) 3.295 15.619 ( 2.932 -1.934 -1.172) 3.703 15.784 ( -1.619 -0.087 -0.779) 1.799 15.820 ( -0.050 1.149 1.640) 2.003 16.185 ( -1.051 0.920 1.518) 2.063 16.257 ( 1.753 -1.399 -1.464) 2.678 ======================= Grid point 26 (19/72) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 37.705 -19.117 5.843) 42.676 3.577 ( 30.553 -25.971 1.244) 40.119 3.798 ( 27.871 -11.176 -16.480) 34.253 3.950 ( 28.514 -13.265 13.034) 34.042 4.178 ( 32.732 -26.064 -18.775) 45.861 4.469 ( 31.510 -26.323 22.281) 46.715 4.710 ( 51.785 -14.028 3.110) 53.741 4.933 ( 26.417 -12.453 -6.664) 29.956 5.117 ( 22.097 -17.442 -4.920) 28.578 5.287 ( 29.177 -12.726 -14.698) 35.061 5.417 ( 24.605 -10.317 3.357) 26.891 5.464 ( 18.168 -11.534 1.543) 21.575 5.524 ( 17.410 -9.322 -4.683) 20.296 5.586 ( 3.835 -4.051 5.029) 7.511 5.694 ( 19.335 -17.158 -7.054) 26.795 5.744 ( 5.042 -9.900 1.168) 11.172 5.848 ( -4.199 -0.997 0.255) 4.323 5.928 ( 19.016 -6.088 9.910) 22.291 6.038 ( -5.625 -3.979 -0.247) 6.895 6.187 ( 0.873 -9.384 20.289) 22.371 6.488 ( 1.821 -1.369 12.874) 13.074 6.595 ( 16.673 -4.624 -8.799) 19.411 6.680 ( 7.639 -2.221 -0.740) 7.990 6.789 ( 5.357 -3.931 4.408) 7.974 6.842 ( -0.187 -0.651 -7.285) 7.317 6.962 ( -7.730 -1.766 -8.866) 11.895 7.005 ( 1.151 -4.451 5.177) 6.924 7.156 ( -3.507 -0.326 -3.931) 5.278 7.199 ( 3.580 -0.788 -7.803) 8.622 7.325 ( 7.847 -6.430 -5.567) 11.572 7.389 ( -6.410 4.027 -0.391) 7.580 7.424 ( -5.326 2.052 1.716) 5.960 7.526 ( -7.885 3.202 -5.703) 10.244 7.606 ( -7.134 1.922 9.584) 12.101 7.729 ( -1.004 7.793 -2.356) 8.203 7.861 ( -3.363 4.144 -3.238) 6.243 7.920 ( -12.027 6.189 -0.326) 13.530 8.062 ( -9.265 -0.321 -1.832) 9.450 8.204 ( -0.095 1.906 4.551) 4.935 8.350 ( -5.330 8.953 -2.475) 10.709 8.475 ( -8.343 8.041 1.100) 11.640 8.597 ( -6.090 7.143 6.700) 11.533 8.670 ( -2.031 4.573 4.279) 6.584 8.765 ( -0.602 9.076 4.237) 10.034 8.908 ( -3.644 13.796 -1.931) 14.399 8.993 ( -4.558 14.150 -1.655) 14.958 9.030 ( -5.274 4.864 -1.545) 7.339 9.204 ( -2.312 2.013 2.108) 3.720 9.273 ( 1.589 8.445 2.741) 9.019 9.356 ( -6.947 8.074 -7.580) 13.073 9.434 ( -4.998 8.275 1.241) 9.746 9.566 ( -3.543 4.857 1.646) 6.233 9.623 ( -3.815 0.654 -1.932) 4.326 9.723 ( -8.754 3.416 5.916) 11.104 9.832 ( -5.770 3.831 -13.803) 15.443 10.010 ( -8.747 4.366 1.073) 9.835 10.119 ( -2.580 7.301 0.974) 7.804 10.228 ( 0.242 2.058 2.360) 3.141 10.339 ( -3.806 1.279 -2.412) 4.684 10.409 ( -5.147 -0.230 2.134) 5.577 10.445 ( -8.122 6.009 2.332) 10.369 10.539 ( -5.290 0.797 -1.591) 5.581 10.573 ( -8.577 4.238 2.366) 9.856 10.707 ( -3.693 6.554 0.192) 7.525 10.823 ( -3.351 0.876 2.897) 4.516 10.854 ( -2.968 5.476 0.229) 6.233 10.905 ( -4.541 4.437 0.569) 6.375 10.964 ( -1.464 9.334 -3.871) 10.211 11.061 ( -1.563 2.614 -3.235) 4.443 11.163 ( -0.286 3.548 -0.487) 3.593 11.172 ( 2.036 3.673 4.136) 5.894 11.305 ( -1.725 3.613 -1.207) 4.181 11.376 ( -4.634 4.693 -3.494) 7.464 11.457 ( -12.838 6.524 3.807) 14.895 11.565 ( -9.578 3.474 3.560) 10.793 11.686 ( -10.614 4.906 -8.008) 14.173 11.802 ( -10.183 2.754 2.398) 10.818 11.999 ( -9.266 5.674 1.146) 10.925 12.140 ( -3.655 5.494 1.038) 6.680 12.320 ( -6.399 1.406 -0.629) 6.582 12.702 ( -3.897 0.368 -0.185) 3.919 12.721 ( 0.959 -1.495 0.131) 1.781 12.734 ( -1.831 -0.254 0.229) 1.863 12.827 ( 3.221 -0.370 -1.073) 3.415 12.835 ( -0.012 -1.840 1.023) 2.105 12.893 ( 1.493 -1.751 0.002) 2.301 12.995 ( 1.246 -0.714 -0.072) 1.438 13.016 ( 0.382 -0.171 0.757) 0.865 13.107 ( 0.375 -2.243 0.220) 2.285 13.118 ( 4.016 1.439 -1.301) 4.460 13.155 ( 2.882 -2.023 0.087) 3.522 13.222 ( 2.304 0.827 -0.468) 2.492 13.258 ( 0.509 0.431 1.135) 1.316 13.307 ( 1.740 -2.154 -1.620) 3.208 13.448 ( 0.171 -0.412 1.502) 1.567 13.501 ( 1.127 -2.729 1.208) 3.190 13.507 ( -0.599 -1.765 0.999) 2.114 13.573 ( 2.394 -2.299 -2.272) 4.022 13.745 ( 2.032 -0.426 -0.877) 2.254 13.780 ( 0.626 -3.890 1.042) 4.076 13.867 ( 4.933 -1.463 0.049) 5.146 13.939 ( 0.401 2.526 -1.344) 2.890 14.000 ( 2.964 -0.158 -0.264) 2.980 14.005 ( 3.371 1.578 0.296) 3.734 14.107 ( 4.063 -1.559 2.041) 4.806 14.238 ( 1.901 -4.053 -1.340) 4.673 14.358 ( 1.687 1.991 0.056) 2.610 14.457 ( -1.181 0.108 0.071) 1.188 14.868 ( 1.312 -1.651 1.831) 2.793 14.934 ( 1.280 -4.289 -1.482) 4.715 15.055 ( 0.717 -3.085 -0.889) 3.290 15.117 ( 3.494 -2.335 -0.569) 4.241 15.324 ( -3.416 -0.147 -0.374) 3.440 15.375 ( -1.472 2.980 0.499) 3.361 15.564 ( -0.479 -3.245 1.897) 3.789 15.681 ( 1.632 -2.491 -1.508) 3.338 15.788 ( -0.340 -1.635 0.729) 1.822 15.824 ( -0.204 -1.517 0.153) 1.539 16.156 ( -0.324 1.716 0.504) 1.817 16.294 ( -0.224 -2.000 -0.709) 2.133 ======================= Grid point 27 (20/72) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( 32.976 -20.167 1.021) 38.667 4.173 ( 15.741 -12.554 18.471) 27.323 4.225 ( 22.937 -16.397 -17.527) 33.199 4.538 ( 22.488 -25.388 -1.957) 33.972 4.906 ( 23.696 -25.587 -10.771) 36.499 5.060 ( 9.725 -6.092 6.473) 13.175 5.284 ( 16.813 -7.874 5.268) 19.298 5.303 ( 24.545 -20.129 6.564) 32.415 5.517 ( 1.473 0.094 -6.294) 6.464 5.539 ( 5.416 -4.993 -4.550) 8.658 5.619 ( 17.260 -9.308 -0.076) 19.610 5.678 ( 3.066 -7.939 0.496) 8.525 5.737 ( 3.499 -8.316 -5.262) 10.445 5.891 ( 1.498 -7.020 -2.276) 7.531 5.910 ( 2.500 -8.423 4.611) 9.922 6.015 ( 10.031 -11.102 6.800) 16.435 6.063 ( 6.124 -4.227 -4.272) 8.580 6.171 ( 12.431 -7.248 -2.172) 14.552 6.221 ( 7.891 -15.143 -5.068) 17.812 6.371 ( 4.367 -2.087 14.371) 15.164 6.569 ( -2.185 -8.365 8.583) 12.183 6.601 ( -1.545 -4.844 -0.232) 5.090 6.783 ( 3.972 4.032 -5.970) 8.227 6.929 ( 8.347 -3.615 1.415) 9.205 6.998 ( 13.930 -8.111 -8.932) 18.429 7.052 ( -0.752 -8.684 1.758) 8.892 7.070 ( 11.737 -2.055 -2.360) 12.147 7.204 ( 1.671 4.097 5.662) 7.186 7.263 ( 2.458 -0.891 -2.134) 3.374 7.331 ( -3.947 0.398 0.169) 3.971 7.372 ( 14.325 -4.346 4.607) 15.663 7.461 ( -1.682 0.831 -3.675) 4.127 7.574 ( 9.365 -2.596 -2.401) 10.010 7.644 ( 8.924 -4.423 1.583) 10.085 7.657 ( -2.306 -7.834 6.938) 10.716 7.770 ( 3.449 3.428 -3.895) 6.230 7.834 ( 4.422 -3.475 -6.868) 8.877 7.919 ( -2.309 9.848 -2.523) 10.425 8.048 ( -3.783 13.059 -6.137) 14.916 8.249 ( -6.818 0.880 2.629) 7.360 8.273 ( 3.511 2.375 1.549) 4.513 8.448 ( -5.376 7.489 3.816) 9.977 8.516 ( -2.305 12.325 0.552) 12.551 8.538 ( -2.598 12.300 -0.943) 12.607 8.611 ( -7.209 8.977 5.224) 12.643 8.668 ( -3.238 12.589 1.918) 13.139 8.896 ( -8.441 12.405 -2.889) 15.280 9.005 ( -2.768 14.155 4.681) 15.164 9.087 ( -4.194 10.695 -2.817) 11.828 9.162 ( -3.470 2.643 -5.137) 6.739 9.311 ( -4.556 2.058 3.357) 6.022 9.494 ( -2.587 5.913 -1.719) 6.679 9.520 ( 0.202 11.514 1.438) 11.605 9.598 ( -9.525 -2.433 0.742) 9.859 9.643 ( -4.669 11.725 1.434) 12.702 9.776 ( -5.601 7.000 -3.831) 9.749 10.031 ( -2.649 6.935 -3.370) 8.153 10.155 ( -3.537 6.544 -3.069) 8.047 10.204 ( -5.443 10.107 3.482) 11.996 10.270 ( -12.603 3.178 -1.355) 13.068 10.307 ( -4.312 5.042 5.471) 8.600 10.455 ( -11.254 -0.599 -0.755) 11.295 10.482 ( -7.710 -1.139 1.083) 7.869 10.562 ( -3.678 4.293 -0.028) 5.653 10.704 ( -2.403 6.220 3.868) 7.708 10.756 ( -2.626 8.938 -2.273) 9.589 10.802 ( -4.550 1.300 -0.148) 4.734 10.816 ( -3.483 1.093 -1.781) 4.062 10.957 ( -3.964 4.694 0.034) 6.144 11.061 ( -4.269 10.004 -1.270) 10.951 11.157 ( -4.513 -2.198 2.049) 5.422 11.184 ( -4.966 6.832 2.205) 8.729 11.194 ( -5.676 8.143 -4.622) 10.949 11.255 ( -4.930 2.270 1.556) 5.646 11.413 ( -7.294 4.428 4.607) 9.697 11.526 ( -7.617 3.560 -7.977) 11.590 11.656 ( -7.186 3.976 0.269) 8.217 11.836 ( -5.822 4.260 2.691) 7.699 12.054 ( 2.001 3.062 0.389) 3.679 12.240 ( -4.807 1.141 -0.460) 4.962 12.660 ( -1.286 0.630 -0.054) 1.433 12.733 ( -1.186 -1.181 -0.349) 1.710 12.783 ( 1.157 -3.236 0.656) 3.499 12.853 ( 2.473 0.409 0.193) 2.514 12.866 ( -1.162 -2.151 0.013) 2.445 12.927 ( 0.968 -0.544 -0.134) 1.118 13.015 ( 0.978 -1.096 -0.390) 1.520 13.052 ( 3.531 -1.324 0.414) 3.794 13.119 ( 2.474 1.166 0.025) 2.735 13.151 ( 2.486 -0.717 -0.311) 2.606 13.160 ( 0.670 2.386 -1.000) 2.672 13.242 ( 0.724 -1.996 1.183) 2.431 13.292 ( 0.892 -2.259 -0.498) 2.480 13.356 ( 1.009 -1.926 -0.966) 2.379 13.457 ( -0.166 -0.642 0.598) 0.893 13.512 ( -5.171 -1.523 2.025) 5.758 13.554 ( 0.818 -1.759 -0.192) 1.950 13.624 ( 1.991 -1.061 -0.203) 2.265 13.784 ( 1.788 -1.906 -0.051) 2.613 13.837 ( -1.249 -2.326 -1.478) 3.026 13.889 ( 0.910 1.693 -0.798) 2.081 13.935 ( 4.403 0.072 1.885) 4.790 13.997 ( 1.979 1.504 -0.859) 2.630 14.044 ( 5.063 -0.286 -0.113) 5.073 14.181 ( 4.738 -1.620 0.723) 5.059 14.319 ( 0.422 -3.312 0.148) 3.342 14.346 ( 1.610 1.092 -0.426) 1.992 14.436 ( -1.224 0.963 0.069) 1.559 14.908 ( 1.490 -0.782 1.564) 2.297 15.022 ( 1.769 -3.733 -2.900) 5.048 15.132 ( 0.915 -4.564 0.107) 4.656 15.202 ( 5.172 -2.602 -0.066) 5.790 15.313 ( -3.746 -1.525 0.794) 4.122 15.319 ( -0.605 0.968 -0.048) 1.143 15.613 ( -1.206 -2.411 0.937) 2.854 15.731 ( 0.388 -2.401 -0.905) 2.595 15.833 ( 0.807 -2.683 0.762) 2.904 15.866 ( -0.406 -3.265 0.073) 3.291 16.122 ( 0.727 2.180 -0.122) 2.302 16.323 ( -2.490 -2.575 -0.269) 3.592 ======================= Grid point 28 (21/72) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.134 ( 27.789 -17.406 -0.617) 32.795 4.410 ( 6.786 -1.598 10.086) 12.261 4.670 ( 17.893 -10.967 -11.686) 24.020 4.957 ( 2.435 6.332 1.758) 7.008 5.163 ( 9.806 -17.368 -1.731) 20.020 5.345 ( -0.393 -1.455 -5.826) 6.018 5.465 ( 1.856 -3.671 -4.187) 5.870 5.522 ( -3.974 -5.617 0.240) 6.885 5.560 ( -5.987 -8.852 4.124) 11.454 5.724 ( 12.550 -3.730 0.855) 13.121 5.782 ( -10.923 1.448 14.810) 18.459 5.820 ( -11.546 1.856 4.513) 12.535 5.951 ( 3.350 -6.621 -9.720) 12.229 6.017 ( 13.451 -11.067 0.622) 17.430 6.046 ( 6.913 -9.928 1.594) 12.202 6.115 ( 2.747 -6.878 -3.083) 8.023 6.312 ( 6.082 -5.828 3.328) 9.057 6.363 ( 8.395 -3.405 2.470) 9.390 6.395 ( 9.117 -6.324 -10.790) 15.477 6.484 ( 3.678 -6.931 3.471) 8.580 6.662 ( -4.951 4.501 -10.878) 12.771 6.678 ( 2.320 3.271 2.400) 4.673 6.860 ( 5.792 -1.888 5.976) 8.533 6.902 ( -2.100 0.437 7.179) 7.492 7.058 ( 7.080 -2.802 -1.232) 7.713 7.110 ( 2.104 5.759 -4.643) 7.691 7.189 ( 2.148 4.350 1.935) 5.223 7.248 ( -0.915 -5.381 1.651) 5.703 7.383 ( 0.886 -4.355 8.002) 9.153 7.427 ( 3.131 -4.005 -4.124) 6.546 7.488 ( 12.766 -2.839 -4.653) 13.881 7.526 ( -4.621 3.783 1.860) 6.255 7.573 ( 5.492 0.640 2.044) 5.895 7.610 ( 2.647 -0.449 -1.030) 2.875 7.778 ( 10.787 -1.308 0.404) 10.874 7.852 ( 8.495 4.153 -5.677) 11.029 7.906 ( 9.640 2.032 -7.234) 12.223 7.972 ( 1.361 3.993 -1.114) 4.363 7.997 ( 5.914 -5.065 0.318) 7.793 8.150 ( 0.770 7.444 -0.326) 7.491 8.213 ( -1.438 8.103 6.366) 10.405 8.298 ( 12.787 -2.387 4.037) 13.620 8.334 ( 6.209 8.729 -0.886) 10.749 8.391 ( 2.816 -0.274 0.321) 2.848 8.507 ( -2.952 7.810 1.545) 8.491 8.554 ( -4.050 7.228 -4.160) 9.271 8.635 ( -4.630 2.051 2.483) 5.640 8.719 ( 1.703 -5.246 0.201) 5.519 8.932 ( -1.405 2.074 1.097) 2.735 9.043 ( 0.080 15.405 -0.740) 15.423 9.208 ( -6.803 15.302 0.364) 16.751 9.265 ( -0.427 -0.588 -3.693) 3.763 9.339 ( -3.322 3.830 2.748) 5.767 9.496 ( -5.852 3.121 -3.760) 7.624 9.532 ( -6.128 17.757 3.346) 19.080 9.597 ( -1.590 -0.031 3.301) 3.664 9.756 ( -8.880 6.083 -7.014) 12.848 9.893 ( -7.268 13.188 0.817) 15.080 10.047 ( -1.699 5.321 -0.866) 5.652 10.156 ( -8.620 2.472 1.626) 9.114 10.232 ( -2.785 -1.053 3.695) 4.745 10.353 ( -10.939 -0.035 -0.830) 10.971 10.392 ( -6.613 2.883 -1.060) 7.291 10.523 ( -4.732 -1.048 1.419) 5.050 10.573 ( -6.273 3.307 1.105) 7.177 10.611 ( -3.436 2.985 -2.427) 5.158 10.745 ( -2.878 1.431 -0.017) 3.214 10.756 ( -1.574 3.753 2.357) 4.703 10.837 ( -5.534 4.134 0.135) 6.909 10.886 ( -1.090 0.345 -0.855) 1.427 11.027 ( -4.563 4.039 -3.191) 6.879 11.102 ( -2.814 1.427 0.124) 3.158 11.163 ( -7.656 -2.447 0.671) 8.065 11.199 ( -3.000 -0.674 -0.534) 3.121 11.284 ( -8.275 2.499 1.670) 8.804 11.395 ( -6.260 3.160 1.778) 7.234 11.555 ( -3.255 2.314 -6.056) 7.254 11.752 ( -3.247 1.289 4.843) 5.972 12.050 ( 5.303 1.260 -1.236) 5.589 12.230 ( -0.016 -2.675 0.219) 2.684 12.666 ( 1.624 -1.128 0.132) 1.982 12.754 ( 0.841 -1.378 -0.245) 1.633 12.841 ( -0.554 -2.029 -0.169) 2.110 12.865 ( 1.565 -0.539 0.572) 1.751 12.891 ( -0.444 -1.517 0.408) 1.633 12.929 ( 0.878 0.850 -0.306) 1.260 13.047 ( 1.848 -0.509 -0.939) 2.135 13.098 ( -0.584 -0.812 -0.322) 1.051 13.119 ( 0.642 1.345 0.189) 1.502 13.132 ( 5.992 0.469 0.276) 6.017 13.195 ( 3.636 -0.318 -0.041) 3.650 13.270 ( -1.155 -1.083 0.936) 1.839 13.332 ( 0.189 -1.407 -1.799) 2.292 13.389 ( -0.058 -1.078 -0.362) 1.139 13.461 ( -3.080 -0.435 -0.783) 3.208 13.493 ( -3.647 -1.677 4.888) 6.325 13.575 ( -2.527 -1.514 -2.601) 3.930 13.645 ( 1.276 -0.203 1.321) 1.848 13.829 ( 1.697 -0.931 -0.711) 2.062 13.836 ( -0.310 1.094 -1.822) 2.148 13.886 ( 0.558 -0.052 1.377) 1.486 13.954 ( -0.718 -0.520 0.127) 0.895 13.993 ( 4.688 2.085 -0.131) 5.133 14.088 ( 4.785 0.454 -0.093) 4.807 14.233 ( 3.120 -0.036 -0.270) 3.132 14.329 ( -1.870 1.299 -0.259) 2.292 14.352 ( 1.473 0.323 1.316) 2.002 14.420 ( -0.201 -0.192 -0.534) 0.603 14.913 ( 0.728 1.431 0.928) 1.854 15.085 ( 2.454 -1.332 -4.468) 5.269 15.218 ( 0.780 -2.667 4.281) 5.104 15.254 ( 0.195 -0.582 -0.705) 0.935 15.339 ( 2.579 -3.518 0.088) 4.363 15.350 ( 0.105 -3.190 -0.420) 3.220 15.626 ( -2.829 -1.094 0.135) 3.036 15.769 ( 0.012 -1.062 0.397) 1.133 15.890 ( 1.113 -2.442 -0.262) 2.697 15.922 ( -0.376 -3.018 0.107) 3.043 16.101 ( 2.552 1.199 -0.156) 2.824 16.342 ( -4.196 -2.808 -0.081) 5.050 ======================= Grid point 29 (22/72) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.240 ( -2.033 22.149 4.385) 22.670 4.517 ( 14.210 1.814 -1.926) 14.454 4.851 ( 1.097 14.643 5.146) 15.559 4.905 ( 18.630 -5.533 -18.008) 26.495 5.173 ( -8.525 5.662 7.346) 12.598 5.300 ( -3.573 12.591 2.153) 13.264 5.472 ( -6.434 10.449 -1.952) 12.426 5.549 ( 1.520 0.393 -1.179) 1.964 5.554 ( -6.927 0.850 7.396) 10.168 5.677 ( -8.422 -3.131 0.850) 9.025 5.738 ( -5.930 -8.925 0.403) 10.723 5.930 ( -3.434 4.727 -2.710) 6.440 5.956 ( -0.705 -8.294 -6.470) 10.543 6.072 ( 3.571 -4.194 2.919) 6.234 6.158 ( -1.514 -1.051 1.258) 2.232 6.284 ( -6.936 9.973 4.774) 13.052 6.349 ( -5.996 16.530 3.563) 17.941 6.408 ( 8.774 1.302 -10.858) 14.021 6.503 ( 2.952 -2.302 -5.131) 6.351 6.584 ( 5.393 -5.362 3.935) 8.563 6.652 ( 14.516 -2.413 8.353) 16.921 6.739 ( 4.656 3.681 5.737) 8.255 6.835 ( -4.661 9.191 1.127) 10.367 6.857 ( 0.522 -2.268 -8.145) 8.471 6.904 ( 1.955 6.613 -3.851) 7.899 7.127 ( 6.762 -3.122 -0.667) 7.478 7.211 ( -8.950 0.814 0.533) 9.003 7.290 ( -1.672 14.410 -6.922) 16.073 7.368 ( -3.624 -0.718 1.913) 4.161 7.410 ( -4.568 -10.821 4.358) 12.528 7.446 ( 7.184 4.556 8.309) 11.891 7.519 ( 3.060 14.916 0.014) 15.226 7.537 ( -2.870 3.489 -7.213) 8.511 7.695 ( 5.363 2.222 2.982) 6.527 7.710 ( 3.478 9.446 1.262) 10.145 7.805 ( 0.289 2.851 -8.248) 8.731 7.908 ( 0.830 4.295 7.533) 8.711 7.919 ( 1.066 10.815 0.688) 10.890 7.996 ( 4.734 4.114 2.585) 6.783 8.119 ( 3.491 0.771 -9.190) 9.861 8.157 ( 7.716 -2.931 -0.044) 8.254 8.247 ( 6.535 -5.010 3.690) 9.024 8.325 ( 3.720 3.351 -2.900) 5.786 8.467 ( 7.404 -3.970 -0.407) 8.411 8.494 ( -2.880 -1.549 -2.330) 4.015 8.547 ( 6.750 -5.927 2.127) 9.231 8.734 ( -1.444 11.186 -3.136) 11.706 8.831 ( 4.217 5.724 1.526) 7.272 8.901 ( 6.171 2.340 10.109) 12.073 8.960 ( 4.603 -5.935 -2.814) 8.021 9.077 ( 3.192 -11.968 0.959) 12.424 9.144 ( -3.060 -0.030 0.889) 3.187 9.331 ( 0.254 -7.183 -3.819) 8.139 9.389 ( -1.725 -1.595 2.513) 3.440 9.469 ( -3.734 -12.228 -1.095) 12.832 9.610 ( -7.514 -0.075 1.043) 7.587 9.626 ( 0.104 5.435 -8.072) 9.732 9.781 ( 8.188 -5.237 4.331) 10.641 9.961 ( -4.338 -1.951 -2.582) 5.412 10.077 ( -3.592 -1.169 0.521) 3.814 10.237 ( -8.324 -4.121 4.349) 10.256 10.290 ( -5.664 -1.313 0.475) 5.833 10.348 ( -0.575 -1.663 -0.883) 1.968 10.469 ( -2.983 1.716 -0.520) 3.480 10.503 ( -10.120 -3.521 -0.374) 10.722 10.592 ( -2.778 -2.259 -1.210) 3.779 10.695 ( -1.167 0.223 1.110) 1.626 10.728 ( 1.189 0.618 3.210) 3.478 10.781 ( -3.333 -0.949 -0.738) 3.543 10.892 ( -0.479 -0.762 -2.598) 2.749 10.940 ( -5.094 1.304 -1.799) 5.557 11.072 ( -1.787 -0.140 -1.489) 2.330 11.130 ( -5.494 -0.659 1.968) 5.873 11.182 ( -7.242 -3.913 -0.014) 8.232 11.237 ( -7.297 -4.847 -1.502) 8.888 11.342 ( 1.337 1.016 7.301) 7.491 11.483 ( -4.573 1.114 -7.510) 8.863 11.736 ( -0.377 -1.012 3.660) 3.815 12.105 ( 7.383 -1.214 -1.373) 7.607 12.308 ( 1.062 -4.358 0.442) 4.507 12.722 ( 3.924 -2.072 0.629) 4.482 12.795 ( 2.676 -1.405 -0.521) 3.067 12.848 ( -0.611 -0.233 -0.223) 0.691 12.883 ( -0.988 -0.607 0.521) 1.271 12.925 ( 0.661 -0.347 -0.657) 0.994 12.929 ( 1.337 -1.152 0.387) 1.807 13.046 ( -0.462 0.893 -1.586) 1.878 13.097 ( 0.364 0.195 1.175) 1.245 13.123 ( 1.495 -0.364 -0.300) 1.568 13.183 ( 6.217 0.666 0.185) 6.255 13.221 ( 3.041 0.642 0.652) 3.176 13.264 ( -1.846 0.077 0.234) 1.863 13.334 ( -1.115 0.788 -2.261) 2.642 13.387 ( -0.788 0.744 -0.597) 1.238 13.434 ( -4.920 -1.206 1.318) 5.234 13.497 ( -3.106 -0.669 4.212) 5.276 13.564 ( -4.500 -1.067 -3.267) 5.662 13.683 ( 3.575 -1.615 0.649) 3.976 13.800 ( -0.642 2.367 0.020) 2.453 13.841 ( 0.727 0.909 -1.575) 1.958 13.872 ( 0.820 1.856 1.182) 2.348 13.967 ( -2.875 -2.527 -0.470) 3.857 13.994 ( 5.180 2.783 0.263) 5.886 14.101 ( 2.450 2.031 0.189) 3.189 14.236 ( 0.906 1.293 -0.533) 1.666 14.270 ( -2.284 2.507 0.351) 3.409 14.355 ( 0.743 0.693 -0.541) 1.151 14.419 ( -0.067 0.450 0.743) 0.871 14.880 ( 0.853 2.610 0.426) 2.778 15.105 ( 2.041 0.990 -5.516) 5.964 15.208 ( -0.730 2.111 6.243) 6.631 15.295 ( -0.304 -2.041 -0.856) 2.234 15.411 ( 2.572 -2.586 -0.283) 3.658 15.436 ( 2.871 -3.216 -0.172) 4.314 15.613 ( -3.508 -0.734 0.009) 3.584 15.757 ( -0.884 1.889 0.160) 2.091 15.926 ( 0.666 -0.628 -0.361) 0.984 15.958 ( -0.676 -1.248 0.171) 1.430 16.140 ( 5.419 -1.548 -0.017) 5.636 16.349 ( -5.081 -2.380 -0.014) 5.611 ======================= Grid point 30 (23/72) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( -2.760 33.629 1.630) 33.782 4.330 ( 0.478 26.998 -9.569) 28.647 4.413 ( 0.687 26.564 2.986) 26.740 4.748 ( -10.418 25.999 8.598) 29.298 4.889 ( 0.664 29.497 11.490) 31.663 4.996 ( -9.014 28.026 -13.224) 32.274 5.260 ( 5.233 -9.946 -2.737) 11.567 5.466 ( 6.137 13.770 -7.767) 16.959 5.518 ( -0.524 6.332 -1.394) 6.505 5.640 ( -3.487 7.250 6.778) 10.520 5.743 ( -3.427 13.633 -1.105) 14.100 5.813 ( -2.994 12.595 6.265) 14.382 5.882 ( -2.289 10.956 3.755) 11.806 6.033 ( 0.330 13.989 -3.482) 14.420 6.082 ( -0.820 0.048 -1.440) 1.657 6.126 ( -5.064 -4.344 -3.636) 7.598 6.182 ( -2.501 0.434 -0.235) 2.550 6.316 ( -2.060 18.416 3.315) 18.825 6.396 ( -2.534 8.150 6.066) 10.471 6.450 ( -0.561 13.167 -0.678) 13.196 6.502 ( -1.591 13.993 -5.632) 15.168 6.675 ( 2.661 7.932 6.854) 10.816 6.728 ( 4.004 8.504 -3.178) 9.922 6.800 ( -3.200 4.852 -2.278) 6.243 6.891 ( -2.353 13.757 -3.978) 14.513 6.986 ( 3.686 10.705 3.422) 11.828 7.100 ( -3.739 5.016 -2.829) 6.866 7.205 ( -2.189 0.842 0.374) 2.375 7.216 ( -3.735 9.603 -1.003) 10.353 7.335 ( -0.733 0.072 3.038) 3.126 7.403 ( 2.602 -3.760 2.249) 5.096 7.461 ( 1.681 16.366 -0.366) 16.456 7.592 ( -2.162 1.214 -3.498) 4.287 7.625 ( 3.202 0.012 -3.583) 4.805 7.664 ( 3.574 -7.852 5.174) 10.059 7.735 ( 1.472 -9.240 1.913) 9.550 7.816 ( -3.081 -5.333 -5.792) 8.454 7.949 ( 2.635 -11.531 2.201) 12.032 8.064 ( 5.533 -4.545 2.476) 7.576 8.211 ( -1.439 -7.020 -4.083) 8.248 8.339 ( 9.289 -5.498 5.245) 12.001 8.409 ( 7.248 -3.758 -6.759) 10.599 8.456 ( 1.444 -7.263 7.357) 10.438 8.475 ( 2.515 1.350 0.510) 2.900 8.493 ( -2.715 -3.332 -4.817) 6.456 8.606 ( 0.436 -3.495 1.002) 3.662 8.703 ( -1.784 -2.871 -1.397) 3.657 8.920 ( 5.216 -11.299 0.497) 12.454 8.977 ( 7.470 -6.915 5.534) 11.587 9.109 ( 0.040 -7.497 -0.121) 7.498 9.264 ( 2.765 -6.709 -2.755) 7.762 9.300 ( 1.460 -5.572 -4.483) 7.299 9.343 ( -4.435 -5.624 7.597) 10.441 9.460 ( 1.454 10.851 -5.159) 12.102 9.558 ( 0.678 -8.047 -1.017) 8.140 9.694 ( 0.342 -12.508 -3.723) 13.054 9.711 ( -0.213 -12.350 4.801) 13.252 10.075 ( 3.207 -12.641 -2.087) 13.208 10.130 ( 1.708 -11.097 -1.056) 11.277 10.179 ( -0.531 -18.599 1.275) 18.650 10.275 ( -5.002 -6.288 3.064) 8.599 10.299 ( 0.733 -0.496 1.578) 1.809 10.363 ( -0.751 -0.551 0.505) 1.059 10.486 ( -3.921 -10.749 -2.278) 11.666 10.520 ( -4.278 -5.814 0.868) 7.271 10.616 ( -1.659 -2.704 -1.325) 3.438 10.701 ( -0.359 -1.151 -0.685) 1.387 10.773 ( 1.264 -3.979 2.536) 4.885 10.797 ( -1.575 -3.161 0.775) 3.616 10.858 ( -3.877 0.043 -4.026) 5.589 10.924 ( -1.250 -1.760 1.449) 2.600 11.064 ( -1.108 -0.964 -4.563) 4.794 11.136 ( -2.220 -3.633 4.398) 6.121 11.275 ( -1.274 -8.408 0.964) 8.559 11.289 ( -1.991 -4.103 1.496) 4.800 11.324 ( -3.525 -2.664 -0.764) 4.484 11.497 ( -0.592 -6.101 -2.605) 6.660 11.775 ( 0.755 -2.453 1.483) 2.965 12.205 ( 6.158 -2.840 -0.680) 6.816 12.382 ( -0.661 -3.457 0.318) 3.534 12.794 ( 3.316 -1.479 1.100) 3.794 12.839 ( 1.209 -1.076 -1.502) 2.208 12.855 ( 3.375 -0.013 0.219) 3.383 12.884 ( -0.919 -0.645 1.287) 1.708 12.929 ( -0.738 -0.089 -0.215) 0.774 12.943 ( -1.243 -0.029 -1.051) 1.628 13.033 ( 0.335 -0.055 -1.441) 1.481 13.092 ( 0.368 0.956 1.339) 1.686 13.142 ( 2.014 0.375 0.214) 2.060 13.206 ( 3.971 1.811 -0.083) 4.365 13.213 ( -1.643 1.604 0.416) 2.334 13.252 ( 1.961 1.398 0.105) 2.410 13.289 ( -2.406 1.622 -1.178) 3.132 13.374 ( 2.297 0.398 -0.947) 2.516 13.414 ( -3.748 -0.623 2.365) 4.476 13.478 ( -4.213 -0.957 0.452) 4.344 13.535 ( -3.449 -0.138 -1.028) 3.602 13.707 ( 1.993 3.225 -1.092) 3.945 13.747 ( -1.713 2.349 2.036) 3.549 13.797 ( -0.773 2.805 -1.144) 3.127 13.892 ( 4.008 -1.449 0.232) 4.268 13.977 ( 0.009 0.367 0.135) 0.391 13.983 ( 2.364 1.725 -0.190) 2.932 14.049 ( -1.437 3.976 -0.049) 4.228 14.208 ( 0.030 3.251 0.932) 3.382 14.223 ( -1.298 -0.235 -0.801) 1.543 14.339 ( -1.172 0.375 -0.981) 1.574 14.399 ( 0.146 2.023 0.994) 2.259 14.844 ( 1.237 2.301 0.213) 2.621 15.077 ( 0.313 2.705 -4.056) 4.885 15.160 ( -0.256 3.024 4.438) 5.376 15.298 ( 0.047 1.580 -0.573) 1.682 15.473 ( 2.793 -1.409 0.098) 3.130 15.497 ( 1.572 -1.287 -0.097) 2.034 15.594 ( -2.725 -0.301 -0.231) 2.751 15.697 ( -1.341 3.188 0.070) 3.460 15.930 ( 1.156 0.921 -0.033) 1.478 15.954 ( -1.125 0.794 0.025) 1.377 16.226 ( 5.914 -1.673 -0.011) 6.146 16.339 ( -5.021 -1.480 0.004) 5.235 ======================= Grid point 31 (24/72) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 0.000 38.125 0.000) 38.125 3.656 ( 0.000 42.182 0.000) 42.182 3.933 ( 0.000 29.420 0.000) 29.420 4.143 ( 0.000 34.212 0.000) 34.212 4.283 ( 0.000 37.549 0.000) 37.549 4.367 ( 0.000 34.671 0.000) 34.671 4.966 ( 0.000 54.692 0.000) 54.692 5.103 ( 0.000 27.272 0.000) 27.272 5.184 ( 0.000 20.850 0.000) 20.850 5.333 ( 0.000 30.527 0.000) 30.527 5.334 ( 0.000 26.504 0.000) 26.504 5.513 ( -0.000 -4.919 -0.000) 4.919 5.708 ( 0.000 12.899 0.000) 12.899 5.818 ( 0.000 30.590 0.000) 30.590 5.928 ( 0.000 29.048 0.000) 29.048 6.004 ( 0.000 4.313 0.000) 4.313 6.062 ( 0.000 15.772 0.000) 15.772 6.125 ( 0.000 14.483 0.000) 14.483 6.149 ( -0.000 -1.028 -0.000) 1.028 6.261 ( 0.000 10.753 0.000) 10.753 6.286 ( 0.000 3.812 0.000) 3.812 6.347 ( 0.000 17.960 0.000) 17.960 6.572 ( 0.000 4.449 0.000) 4.449 6.695 ( 0.000 6.721 0.000) 6.721 6.761 ( 0.000 4.293 0.000) 4.293 6.880 ( -0.000 -5.898 -0.000) 5.898 7.034 ( 0.000 1.025 0.000) 1.025 7.147 ( 0.000 2.035 0.000) 2.035 7.228 ( -0.000 -7.968 -0.000) 7.968 7.284 ( -0.000 -1.005 -0.000) 1.005 7.402 ( -0.000 -4.778 -0.000) 4.778 7.483 ( -0.000 -6.468 -0.000) 6.468 7.650 ( -0.000 -6.175 -0.000) 6.175 7.715 ( -0.000 -14.317 -0.000) 14.317 7.940 ( -0.000 -11.231 -0.000) 11.231 7.979 ( -0.000 -12.788 -0.000) 12.788 8.048 ( -0.000 -15.119 -0.000) 15.119 8.184 ( -0.000 -11.451 -0.000) 11.451 8.202 ( -0.000 -10.295 -0.000) 10.295 8.336 ( -0.000 -7.363 -0.000) 7.363 8.393 ( 0.000 1.513 0.000) 1.513 8.515 ( -0.000 -5.030 -0.000) 5.030 8.520 ( -0.000 -6.350 -0.000) 6.350 8.544 ( -0.000 -3.715 -0.000) 3.715 8.665 ( -0.000 -12.383 -0.000) 12.383 8.740 ( -0.000 -9.874 -0.000) 9.874 8.745 ( -0.000 -1.864 -0.000) 1.864 9.142 ( -0.000 -5.850 -0.000) 5.850 9.152 ( -0.000 -9.256 -0.000) 9.256 9.273 ( -0.000 -5.462 -0.000) 5.462 9.284 ( 0.000 5.894 0.000) 5.894 9.350 ( -0.000 -12.659 -0.000) 12.659 9.417 ( -0.000 -7.494 -0.000) 7.494 9.516 ( -0.000 -6.441 -0.000) 6.441 9.734 ( -0.000 -13.973 -0.000) 13.973 9.909 ( -0.000 -9.166 -0.000) 9.166 9.914 ( -0.000 -10.632 -0.000) 10.632 10.191 ( -0.000 -0.751 -0.000) 0.751 10.260 ( -0.000 -3.138 -0.000) 3.138 10.295 ( -0.000 -0.277 -0.000) 0.277 10.372 ( -0.000 -1.567 -0.000) 1.567 10.374 ( -0.000 -8.696 -0.000) 8.696 10.543 ( -0.000 -11.436 -0.000) 11.436 10.651 ( -0.000 -7.938 -0.000) 7.938 10.679 ( -0.000 -9.880 -0.000) 9.880 10.711 ( -0.000 -1.628 -0.000) 1.628 10.824 ( -0.000 -2.980 -0.000) 2.980 10.844 ( -0.000 -18.744 -0.000) 18.744 10.898 ( -0.000 -5.640 -0.000) 5.640 10.910 ( -0.000 -9.135 -0.000) 9.135 10.975 ( -0.000 -9.598 -0.000) 9.598 11.081 ( -0.000 -1.304 -0.000) 1.304 11.188 ( 0.000 0.450 0.000) 0.450 11.272 ( -0.000 -5.360 -0.000) 5.360 11.488 ( -0.000 -13.412 -0.000) 13.412 11.503 ( -0.000 -14.618 -0.000) 14.618 11.643 ( -0.000 -9.758 -0.000) 9.758 11.829 ( -0.000 -3.052 -0.000) 3.052 12.290 ( -0.000 -3.038 -0.000) 3.038 12.427 ( -0.000 -2.207 -0.000) 2.207 12.810 ( 0.000 0.438 0.000) 0.438 12.860 ( 0.000 0.012 0.000) 0.012 12.892 ( -0.000 -0.291 -0.000) 0.291 12.896 ( -0.000 -0.362 -0.000) 0.362 12.903 ( -0.000 -0.090 -0.000) 0.090 12.931 ( 0.000 1.213 0.000) 1.213 13.043 ( -0.000 -0.280 -0.000) 0.280 13.066 ( 0.000 2.085 0.000) 2.085 13.135 ( 0.000 1.466 0.000) 1.466 13.153 ( 0.000 2.948 0.000) 2.948 13.191 ( 0.000 4.016 0.000) 4.016 13.205 ( 0.000 1.422 0.000) 1.422 13.267 ( 0.000 0.788 0.000) 0.788 13.403 ( -0.000 -0.268 -0.000) 0.268 13.408 ( -0.000 -0.098 -0.000) 0.098 13.456 ( -0.000 -0.515 -0.000) 0.515 13.528 ( -0.000 -0.666 -0.000) 0.666 13.639 ( 0.000 3.960 0.000) 3.960 13.675 ( 0.000 4.415 0.000) 4.415 13.747 ( 0.000 2.268 0.000) 2.268 13.917 ( 0.000 2.069 0.000) 2.069 13.930 ( 0.000 5.702 0.000) 5.702 13.966 ( 0.000 1.971 0.000) 1.971 13.993 ( -0.000 -0.196 -0.000) 0.196 14.140 ( 0.000 4.372 0.000) 4.372 14.242 ( -0.000 -2.978 -0.000) 2.978 14.337 ( -0.000 -0.614 -0.000) 0.614 14.349 ( 0.000 3.283 0.000) 3.283 14.815 ( 0.000 1.597 0.000) 1.597 15.023 ( 0.000 2.886 0.000) 2.886 15.102 ( 0.000 3.415 0.000) 3.415 15.238 ( 0.000 4.966 0.000) 4.966 15.498 ( 0.000 0.286 0.000) 0.286 15.511 ( 0.000 0.502 0.000) 0.502 15.579 ( 0.000 0.519 0.000) 0.519 15.635 ( 0.000 2.861 0.000) 2.861 15.913 ( 0.000 2.017 0.000) 2.017 15.915 ( 0.000 2.364 0.000) 2.364 16.272 ( 0.000 0.260 0.000) 0.260 16.329 ( -0.000 -0.525 -0.000) 0.525 ======================= Grid point 36 (25/72) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 45.712 0.000 12.699) 47.444 3.080 ( 49.322 0.000 -0.624) 49.326 3.596 ( 28.732 0.000 -37.759) 47.448 3.604 ( 42.622 0.000 -21.148) 47.580 3.803 ( 40.026 0.000 21.278) 45.330 3.872 ( 28.747 0.000 34.456) 44.873 4.405 ( 71.425 0.000 8.186) 71.892 4.631 ( 27.228 0.000 -10.388) 29.143 4.753 ( 32.044 0.000 -11.073) 33.903 5.047 ( 52.429 0.000 -15.463) 54.662 5.140 ( 21.322 0.000 -14.540) 25.808 5.267 ( 26.806 0.000 17.254) 31.879 5.333 ( 23.765 0.000 3.149) 23.973 5.372 ( 29.453 0.000 -9.899) 31.072 5.401 ( 13.238 0.000 -0.257) 13.240 5.642 ( 27.312 0.000 22.491) 35.381 5.760 ( -12.777 -0.000 9.765) 16.081 5.821 ( -15.020 -0.000 3.531) 15.430 6.018 ( 3.539 0.000 14.439) 14.867 6.021 ( -3.885 -0.000 -10.894) 11.566 6.472 ( 30.378 0.000 -10.888) 32.270 6.515 ( -12.768 -0.000 12.463) 17.842 6.583 ( 25.961 0.000 12.758) 28.926 6.702 ( -19.726 -0.000 3.976) 20.123 6.822 ( 11.788 0.000 -8.277) 14.404 6.950 ( -4.635 -0.000 -11.356) 12.265 6.954 ( -2.692 -0.000 -9.112) 9.502 7.089 ( -5.331 -0.000 -9.402) 10.808 7.185 ( -3.670 -0.000 6.863) 7.783 7.203 ( -6.334 -0.000 -12.283) 13.820 7.466 ( -17.992 -0.000 -5.442) 18.796 7.512 ( -10.246 -0.000 -3.824) 10.936 7.692 ( 2.185 0.000 14.326) 14.492 7.709 ( -15.355 -0.000 2.249) 15.518 7.806 ( -9.555 -0.000 1.537) 9.678 7.858 ( -15.541 -0.000 -4.957) 16.312 7.961 ( 3.862 0.000 0.098) 3.863 8.246 ( -5.486 -0.000 3.020) 6.262 8.282 ( -2.298 -0.000 1.618) 2.810 8.456 ( -4.490 -0.000 -3.710) 5.824 8.640 ( 2.146 0.000 8.291) 8.564 8.700 ( -8.821 -0.000 4.641) 9.967 8.802 ( -5.827 -0.000 -4.564) 7.402 8.896 ( 3.768 0.000 5.892) 6.994 9.068 ( -1.436 -0.000 6.834) 6.983 9.208 ( -4.007 -0.000 -3.222) 5.142 9.214 ( -5.682 -0.000 -3.729) 6.796 9.300 ( -12.833 -0.000 -3.442) 13.286 9.425 ( -2.277 -0.000 -7.335) 7.681 9.435 ( -6.224 -0.000 1.297) 6.357 9.624 ( -4.865 -0.000 0.816) 4.933 9.658 ( -2.682 -0.000 2.202) 3.471 9.752 ( -3.716 -0.000 -0.326) 3.730 9.784 ( -6.440 -0.000 5.344) 8.368 9.894 ( -9.095 -0.000 3.426) 9.719 9.930 ( -3.660 -0.000 -16.406) 16.810 10.258 ( -15.584 -0.000 -13.204) 20.425 10.264 ( -13.707 -0.000 11.233) 17.722 10.317 ( -2.311 -0.000 5.686) 6.137 10.450 ( -0.017 -0.000 -0.595) 0.595 10.565 ( -6.478 -0.000 0.623) 6.508 10.629 ( -6.175 -0.000 1.180) 6.287 10.701 ( -4.847 -0.000 0.483) 4.871 10.760 ( -4.999 -0.000 0.413) 5.016 10.831 ( -2.602 -0.000 7.334) 7.782 11.018 ( -7.004 -0.000 -2.636) 7.484 11.073 ( -3.029 -0.000 4.569) 5.482 11.112 ( 2.630 0.000 -7.464) 7.914 11.168 ( 2.072 0.000 -2.098) 2.948 11.291 ( 3.958 0.000 -2.671) 4.775 11.365 ( -8.393 -0.000 2.647) 8.800 11.407 ( -0.243 -0.000 -2.694) 2.705 11.425 ( -2.261 -0.000 1.350) 2.633 11.434 ( -8.230 -0.000 -0.208) 8.232 11.632 ( -9.312 -0.000 9.347) 13.194 11.692 ( -3.676 -0.000 -14.987) 15.431 11.813 ( -11.528 -0.000 9.120) 14.699 12.048 ( -10.174 -0.000 -1.404) 10.271 12.270 ( -11.036 -0.000 3.518) 11.583 12.309 ( -5.493 -0.000 -2.768) 6.151 12.680 ( -1.558 -0.000 1.245) 1.995 12.709 ( -1.881 -0.000 -1.306) 2.290 12.786 ( 0.159 0.000 0.732) 0.749 12.786 ( 1.319 0.000 -0.826) 1.556 12.833 ( 4.575 0.000 0.939) 4.670 12.855 ( 3.734 0.000 -1.300) 3.954 12.993 ( 2.480 0.000 1.635) 2.971 13.018 ( -2.499 -0.000 -0.498) 2.548 13.039 ( 1.223 0.000 -0.139) 1.231 13.062 ( 1.523 0.000 -1.050) 1.850 13.178 ( 4.634 0.000 0.135) 4.636 13.241 ( 2.619 0.000 0.060) 2.620 13.284 ( 3.479 0.000 -4.248) 5.491 13.292 ( 2.330 0.000 4.040) 4.663 13.424 ( 0.718 0.000 4.266) 4.326 13.439 ( -0.749 -0.000 -2.074) 2.205 13.475 ( 1.029 0.000 0.521) 1.153 13.519 ( 4.737 0.000 -2.833) 5.520 13.697 ( 2.587 0.000 1.326) 2.907 13.735 ( 1.907 0.000 -0.889) 2.104 13.887 ( 0.777 0.000 -0.748) 1.079 13.889 ( 5.949 0.000 0.333) 5.958 14.057 ( 5.396 0.000 3.574) 6.473 14.071 ( 1.722 0.000 4.905) 5.198 14.107 ( -2.331 -0.000 -4.723) 5.267 14.109 ( 0.828 0.000 -3.442) 3.540 14.435 ( 0.547 0.000 2.202) 2.269 14.442 ( -0.858 -0.000 -2.041) 2.214 14.809 ( -2.098 -0.000 2.248) 3.075 14.864 ( 1.573 0.000 -2.543) 2.990 14.994 ( 0.465 0.000 0.324) 0.567 15.057 ( 1.049 0.000 -1.433) 1.776 15.366 ( -1.493 -0.000 0.539) 1.587 15.400 ( -0.908 -0.000 -2.851) 2.992 15.518 ( -2.805 -0.000 3.305) 4.335 15.618 ( 1.742 0.000 -0.290) 1.766 15.767 ( -1.624 -0.000 -1.633) 2.303 15.834 ( -0.746 -0.000 2.125) 2.252 16.177 ( -1.948 -0.000 3.513) 4.017 16.279 ( 4.224 0.000 -3.192) 5.294 ======================= Grid point 37 (26/72) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 43.272 -9.576 9.876) 45.406 3.561 ( 37.921 -9.715 -7.361) 39.831 3.899 ( 32.984 -5.838 -24.064) 41.245 4.072 ( 28.771 -3.033 14.573) 32.393 4.103 ( 36.851 -13.034 -7.550) 39.811 4.364 ( 30.246 -16.878 22.886) 41.515 4.937 ( 25.318 -8.166 -8.148) 27.823 5.015 ( 37.678 -3.840 2.645) 37.965 5.117 ( 42.278 -9.498 1.869) 43.372 5.366 ( 16.827 -5.746 -13.288) 22.198 5.438 ( 3.533 -2.765 5.297) 6.941 5.460 ( -1.205 -1.690 -1.234) 2.414 5.566 ( 15.468 -4.427 2.206) 16.240 5.583 ( 32.794 -7.772 -9.727) 35.078 5.646 ( 14.212 -4.313 -11.564) 18.823 5.689 ( 20.123 -4.078 7.177) 21.750 5.768 ( 1.357 -5.167 -1.340) 5.508 5.861 ( -0.400 -8.043 11.879) 14.351 5.981 ( 0.943 0.108 -12.058) 12.096 6.293 ( 34.391 -0.608 28.199) 44.478 6.423 ( -8.013 -1.856 13.864) 16.121 6.481 ( -22.908 -2.877 1.985) 23.173 6.739 ( 9.780 -1.525 -1.277) 9.980 6.783 ( -10.923 -3.588 -0.989) 11.539 6.814 ( 9.156 -2.118 -7.979) 12.329 6.852 ( -5.157 -0.620 -6.594) 8.394 7.010 ( 16.206 -2.479 7.330) 17.959 7.108 ( 6.292 -0.492 -10.223) 12.014 7.249 ( -0.063 -5.601 -2.948) 6.330 7.275 ( -9.822 0.209 -4.789) 10.929 7.324 ( 22.258 -0.567 -2.982) 22.464 7.470 ( -9.271 -3.494 2.098) 10.127 7.536 ( -0.397 5.255 -2.149) 5.691 7.681 ( 3.860 5.777 -0.186) 6.951 7.726 ( -9.023 1.493 -3.275) 9.714 7.776 ( -12.570 -6.393 -0.428) 14.109 7.980 ( 5.513 5.902 -2.935) 8.593 8.095 ( -3.306 9.728 1.816) 10.434 8.245 ( -3.525 1.417 6.016) 7.115 8.391 ( -8.565 1.579 -4.936) 10.011 8.538 ( -6.833 6.562 5.690) 11.051 8.643 ( -10.008 3.993 3.464) 11.318 8.739 ( 3.904 1.933 3.258) 5.440 8.902 ( 3.247 4.363 5.736) 7.905 9.019 ( -4.296 3.220 4.360) 6.916 9.095 ( -6.347 5.029 -4.583) 9.305 9.141 ( -9.947 8.044 -5.211) 13.814 9.171 ( -6.661 0.889 1.095) 6.809 9.310 ( -5.595 -0.557 -2.370) 6.102 9.408 ( -4.457 4.029 -0.207) 6.011 9.524 ( -5.187 6.834 1.763) 8.759 9.596 ( -7.961 4.854 -1.115) 9.391 9.632 ( -4.623 3.292 -0.472) 5.695 9.712 ( -7.383 2.446 2.632) 8.211 9.821 ( -4.662 0.458 -11.522) 12.438 9.915 ( -8.639 -2.100 -0.859) 8.932 10.087 ( -16.179 -2.420 -1.624) 16.439 10.162 ( -18.519 -2.741 2.462) 18.882 10.323 ( -1.102 -0.525 6.781) 6.890 10.398 ( -0.659 5.171 -1.308) 5.375 10.483 ( -4.419 4.349 0.067) 6.201 10.541 ( -6.759 2.593 0.225) 7.243 10.618 ( -4.405 4.226 1.659) 6.326 10.719 ( -5.270 0.324 -0.972) 5.369 10.796 ( -6.219 -0.093 5.651) 8.404 10.902 ( -5.361 3.658 -2.585) 6.986 10.972 ( -5.854 5.507 1.744) 8.224 11.081 ( -1.118 4.204 -4.588) 6.322 11.119 ( -0.311 4.418 -3.077) 5.393 11.253 ( -3.779 6.320 3.563) 8.181 11.265 ( -0.584 5.378 -2.829) 6.104 11.323 ( -2.936 2.763 2.161) 4.574 11.392 ( -3.153 2.207 -2.545) 4.614 11.434 ( -6.750 -0.369 1.929) 7.030 11.564 ( -2.688 2.513 5.120) 6.305 11.645 ( -6.358 1.237 -10.556) 12.385 11.741 ( -7.171 -0.329 4.616) 8.535 11.971 ( -8.765 0.855 0.106) 8.807 12.155 ( -8.799 1.854 3.037) 9.491 12.258 ( -7.568 -0.336 -1.847) 7.797 12.670 ( -1.817 -0.339 0.747) 1.994 12.693 ( -2.195 -0.409 -1.000) 2.447 12.767 ( 1.645 1.896 1.286) 2.820 12.810 ( 0.569 -0.992 -1.334) 1.757 12.863 ( 3.917 0.476 0.773) 4.021 12.895 ( 3.039 -0.361 -0.697) 3.139 12.991 ( -0.608 -0.076 -0.665) 0.904 13.022 ( 2.481 -0.527 1.441) 2.917 13.068 ( 0.801 -1.745 0.057) 1.921 13.113 ( 1.523 -3.122 -0.924) 3.595 13.205 ( 4.998 1.448 -0.206) 5.208 13.262 ( 3.178 0.551 0.890) 3.346 13.297 ( 1.666 1.926 -3.090) 4.004 13.301 ( 1.950 0.176 1.423) 2.420 13.441 ( -0.596 -1.402 4.229) 4.495 13.447 ( -0.354 -1.009 -1.521) 1.859 13.501 ( 1.940 -1.257 -0.252) 2.325 13.574 ( 5.067 -1.125 -1.533) 5.412 13.735 ( 1.471 -1.555 0.799) 2.285 13.757 ( 1.711 -0.506 -0.370) 1.822 13.889 ( 4.269 -0.380 0.504) 4.315 13.968 ( 3.080 -1.586 -0.293) 3.477 14.027 ( -0.520 2.736 -3.094) 4.163 14.063 ( 1.937 1.991 2.113) 3.490 14.121 ( 4.178 -1.295 3.634) 5.687 14.170 ( -0.409 -4.060 -3.023) 5.078 14.411 ( 0.750 1.976 0.308) 2.136 14.447 ( -0.720 -0.263 -0.269) 0.812 14.819 ( -1.564 -2.634 2.543) 3.981 14.894 ( 1.894 -1.965 -2.397) 3.633 15.016 ( 0.577 -1.792 -0.403) 1.925 15.087 ( 0.978 -2.506 -0.945) 2.851 15.320 ( -1.871 2.023 -0.354) 2.779 15.405 ( -0.744 0.442 -2.264) 2.423 15.505 ( -2.175 -1.840 3.763) 4.720 15.649 ( 0.827 -1.886 -0.475) 2.113 15.759 ( -1.120 -0.720 -0.823) 1.566 15.821 ( -0.083 0.571 1.086) 1.230 16.163 ( -1.560 0.076 2.765) 3.176 16.303 ( 3.408 0.997 -2.542) 4.367 ======================= Grid point 38 (27/72) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( 39.011 -13.535 4.583) 41.546 4.063 ( 26.026 -14.935 -5.956) 30.592 4.267 ( 25.540 -5.465 1.465) 26.159 4.428 ( 26.161 -11.518 -1.172) 28.608 4.711 ( 28.714 -19.504 -9.992) 36.121 4.908 ( 11.821 -15.952 11.839) 23.116 5.226 ( 2.849 -6.694 4.447) 8.526 5.266 ( 5.992 -6.410 -0.050) 8.775 5.431 ( -1.684 -6.844 -1.134) 7.139 5.495 ( 1.666 -11.271 -1.983) 11.565 5.589 ( 6.972 -3.086 -7.957) 11.020 5.606 ( 3.347 -3.394 -4.227) 6.371 5.687 ( 12.285 -4.597 6.551) 14.661 5.803 ( 8.890 -3.892 0.315) 9.710 5.855 ( 12.040 -5.738 0.197) 13.339 5.954 ( 5.762 -3.607 6.133) 9.156 6.027 ( 5.408 -8.295 6.567) 11.882 6.061 ( 10.850 -8.197 -9.926) 16.836 6.211 ( 34.511 -7.962 -13.655) 37.959 6.380 ( -5.468 -7.065 11.557) 14.608 6.427 ( -3.048 -7.184 5.781) 9.712 6.478 ( -0.160 2.279 -0.837) 2.433 6.779 ( -2.386 -6.394 -0.115) 6.826 6.815 ( -1.955 -8.716 4.563) 10.030 6.982 ( 13.557 -1.849 3.971) 14.247 7.078 ( 16.116 -6.135 -11.699) 20.838 7.099 ( 17.709 -1.547 4.212) 18.269 7.199 ( -4.822 -5.540 -3.767) 8.254 7.321 ( 5.113 3.158 -0.575) 6.037 7.341 ( 14.183 -4.580 8.410) 17.113 7.438 ( 5.074 -7.407 2.538) 9.330 7.502 ( 2.100 7.127 -4.307) 8.589 7.564 ( 0.129 2.694 1.817) 3.253 7.632 ( 13.915 -2.065 -0.695) 14.085 7.715 ( 8.570 0.282 -4.264) 9.577 7.785 ( -1.862 3.974 2.164) 4.893 7.837 ( -0.249 -3.794 -9.851) 10.560 7.993 ( 0.523 1.391 -5.494) 5.692 8.135 ( -9.614 4.305 4.659) 11.519 8.207 ( -9.810 8.274 -6.064) 14.194 8.419 ( 3.486 4.804 8.278) 10.186 8.471 ( -6.032 4.471 5.205) 9.136 8.694 ( -0.671 8.705 1.632) 8.882 8.749 ( -0.773 11.807 0.434) 11.840 8.829 ( -3.279 15.625 0.637) 15.978 8.880 ( -6.611 13.013 -2.625) 14.830 8.964 ( -2.845 2.921 4.760) 6.268 9.093 ( -9.196 1.780 -0.730) 9.395 9.199 ( -9.472 8.257 -7.966) 14.878 9.274 ( -5.857 0.871 1.771) 6.181 9.305 ( -6.735 10.987 1.145) 12.938 9.454 ( -10.297 3.008 6.232) 12.406 9.537 ( -2.636 1.840 -5.479) 6.352 9.609 ( -5.238 2.637 3.071) 6.620 9.732 ( -4.114 3.197 -13.201) 14.192 9.885 ( -4.225 0.936 3.201) 5.382 9.999 ( -13.899 -1.733 8.592) 16.432 10.105 ( -14.626 -6.099 -3.259) 16.178 10.240 ( -2.275 7.714 -3.090) 8.615 10.300 ( -4.851 4.071 0.967) 6.406 10.365 ( -2.952 6.069 0.061) 6.749 10.414 ( -7.237 4.921 2.063) 8.992 10.487 ( -2.650 5.159 1.436) 5.975 10.645 ( -3.346 4.851 -1.999) 6.223 10.743 ( -6.720 0.222 3.753) 7.700 10.790 ( -4.574 4.157 1.769) 6.430 10.821 ( -4.729 3.975 -0.234) 6.183 10.932 ( -1.906 9.959 -6.414) 11.998 11.017 ( -3.387 7.368 0.135) 8.111 11.102 ( -5.820 2.906 2.715) 7.049 11.143 ( -5.043 3.892 -0.935) 6.438 11.218 ( -6.611 5.998 3.898) 9.741 11.282 ( -3.056 4.675 -3.768) 6.737 11.329 ( -4.169 7.584 2.475) 9.001 11.468 ( -2.431 6.270 1.912) 6.991 11.533 ( -4.820 4.075 -8.560) 10.635 11.665 ( -5.101 2.737 1.842) 6.075 11.853 ( -6.483 3.741 1.882) 7.718 12.083 ( -3.064 0.261 1.838) 3.582 12.192 ( -7.243 -0.088 -1.311) 7.361 12.655 ( -1.618 0.051 -0.286) 1.643 12.692 ( -1.529 -1.508 -0.026) 2.148 12.768 ( 2.392 -0.065 1.247) 2.698 12.830 ( -0.187 -1.078 -0.938) 1.442 12.887 ( 2.685 0.360 0.269) 2.722 12.918 ( 1.193 -0.792 -0.179) 1.443 13.012 ( 2.018 -1.013 -0.592) 2.334 13.061 ( 3.076 -1.006 0.939) 3.370 13.105 ( -0.160 -1.866 0.396) 1.915 13.174 ( 1.544 -1.789 -1.366) 2.729 13.218 ( 4.229 2.030 -1.894) 5.059 13.250 ( 0.551 2.322 1.046) 2.606 13.282 ( 2.386 -0.048 1.107) 2.631 13.334 ( 1.538 -1.421 -1.056) 2.345 13.452 ( -1.524 -0.536 -2.132) 2.675 13.458 ( -1.020 -0.722 5.347) 5.491 13.540 ( 1.122 -1.079 -1.488) 2.153 13.631 ( 3.619 -0.708 -0.138) 3.690 13.753 ( -0.794 -0.964 -0.213) 1.267 13.800 ( 1.607 -1.925 0.395) 2.538 13.934 ( 2.059 1.434 -2.473) 3.523 13.979 ( 4.887 -0.384 2.730) 5.611 14.041 ( 1.790 1.417 0.197) 2.292 14.053 ( 2.049 -1.864 -1.450) 3.126 14.188 ( 3.540 -1.802 0.774) 4.047 14.247 ( -0.069 -4.721 -0.013) 4.722 14.385 ( 0.983 1.782 -0.200) 2.045 14.440 ( -0.603 0.300 -0.011) 0.674 14.869 ( -1.050 -3.460 2.478) 4.383 14.962 ( 1.613 -3.816 -2.529) 4.854 15.067 ( 0.803 -3.347 -0.816) 3.538 15.157 ( 0.335 -4.360 -0.268) 4.381 15.283 ( -0.461 0.502 -0.245) 0.724 15.367 ( 0.644 2.640 -0.615) 2.786 15.549 ( -1.600 -3.638 2.606) 4.752 15.688 ( -0.267 -2.055 -1.584) 2.608 15.781 ( -0.493 -2.587 0.204) 2.641 15.828 ( 0.376 -1.362 0.852) 1.650 16.151 ( -0.584 0.402 1.294) 1.476 16.299 ( 0.970 1.296 -1.449) 2.172 ======================= Grid point 39 (28/72) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.108 ( 33.063 -14.340 1.084) 36.055 4.442 ( 12.618 -5.246 7.426) 15.553 4.626 ( 24.010 -12.360 -7.476) 28.020 4.863 ( 13.353 -13.859 -1.898) 19.338 5.062 ( -0.676 -6.221 -5.569) 8.377 5.203 ( 5.327 -13.188 -1.771) 14.333 5.275 ( -14.616 -9.659 4.459) 18.077 5.410 ( -8.632 2.261 -4.527) 10.006 5.470 ( 2.759 -6.952 2.322) 7.832 5.626 ( -16.037 -4.844 0.081) 16.753 5.757 ( -4.951 1.992 4.055) 6.703 5.770 ( 9.690 -5.503 1.119) 11.199 5.839 ( 5.584 -12.957 4.438) 14.790 5.897 ( 7.709 -11.042 -0.478) 13.475 5.935 ( 1.452 -1.442 4.184) 4.658 6.139 ( 9.731 -2.660 5.468) 11.475 6.186 ( 7.266 -7.725 -6.675) 12.531 6.305 ( 9.900 -8.581 -6.710) 14.719 6.423 ( -2.182 -2.761 1.809) 3.957 6.511 ( 12.817 -4.570 -9.053) 16.344 6.556 ( 4.093 -8.717 8.037) 12.544 6.676 ( 13.106 -9.780 -6.333) 17.537 6.843 ( 2.969 4.080 0.301) 5.055 7.012 ( -2.524 -8.877 2.741) 9.627 7.043 ( -0.434 1.379 4.018) 4.270 7.186 ( 4.018 5.831 5.266) 8.825 7.215 ( 8.341 2.687 0.716) 8.792 7.316 ( 1.455 3.492 0.376) 3.802 7.343 ( 6.101 4.569 -4.746) 8.980 7.426 ( 7.288 -8.652 0.469) 11.322 7.448 ( 9.894 -0.994 1.483) 10.054 7.558 ( -4.274 -0.519 -0.616) 4.349 7.619 ( 4.229 -2.893 7.745) 9.287 7.655 ( 3.709 2.293 -5.333) 6.889 7.809 ( 11.858 -8.653 -7.202) 16.351 7.941 ( 7.109 -3.682 -1.262) 8.105 7.957 ( 6.888 -3.509 -4.922) 9.164 8.016 ( 8.674 0.458 -0.569) 8.705 8.042 ( 9.956 -0.298 3.912) 10.701 8.151 ( -1.788 -7.749 -2.005) 8.202 8.336 ( -5.545 6.382 1.273) 8.550 8.398 ( -9.616 6.888 4.605) 12.693 8.456 ( 4.169 3.662 0.338) 5.559 8.498 ( -1.948 14.143 -2.591) 14.510 8.558 ( 5.294 8.238 -1.624) 9.926 8.652 ( 1.397 9.703 4.300) 10.704 8.758 ( -4.208 13.625 1.996) 14.399 8.906 ( -5.768 13.379 -2.185) 14.732 9.008 ( -7.813 7.904 2.424) 11.375 9.110 ( -1.652 0.157 -2.104) 2.679 9.204 ( -6.143 1.133 0.828) 6.301 9.334 ( -14.605 -1.490 3.975) 15.209 9.440 ( -4.715 6.142 -5.473) 9.482 9.585 ( 5.216 0.555 -2.856) 5.973 9.610 ( -1.039 10.633 -2.257) 10.919 9.709 ( -1.229 13.056 3.312) 13.525 9.949 ( -11.166 2.044 0.898) 11.387 10.022 ( -7.648 9.735 0.858) 12.409 10.082 ( -9.094 5.341 2.071) 10.748 10.089 ( -3.182 8.605 -2.937) 9.634 10.203 ( -8.513 -1.955 1.123) 8.807 10.285 ( -4.792 4.472 0.875) 6.613 10.404 ( -3.610 6.597 -2.303) 7.864 10.502 ( -1.153 2.523 0.078) 2.775 10.654 ( -4.399 4.851 3.614) 7.480 10.701 ( -2.695 8.773 -1.552) 9.308 10.728 ( -3.594 3.085 -1.528) 4.977 10.744 ( -5.084 1.135 1.202) 5.346 10.865 ( -5.141 1.879 -0.260) 5.480 10.970 ( -3.411 10.078 1.112) 10.697 11.040 ( -6.201 1.707 0.073) 6.432 11.085 ( -4.980 0.538 -1.152) 5.140 11.138 ( -2.012 5.435 0.085) 5.796 11.201 ( -0.948 5.532 1.663) 5.853 11.314 ( -5.792 6.213 -1.219) 8.581 11.411 ( -4.207 3.897 -1.955) 6.059 11.585 ( -1.039 3.162 -2.000) 3.883 11.756 ( -3.400 2.242 3.416) 5.316 12.087 ( 1.471 -0.570 -0.368) 1.620 12.160 ( -3.806 -2.820 -0.031) 4.737 12.658 ( 0.721 -1.199 -0.658) 1.546 12.722 ( 0.058 -2.436 0.980) 2.627 12.795 ( -0.603 -1.448 0.168) 1.578 12.846 ( -0.214 -1.004 -0.072) 1.029 12.901 ( 2.250 0.149 0.209) 2.264 12.939 ( 0.288 -0.446 -0.648) 0.837 13.050 ( 2.464 -0.649 -0.368) 2.575 13.094 ( 0.876 -0.351 -0.298) 0.989 13.144 ( 1.132 -1.962 1.372) 2.648 13.164 ( 0.804 2.544 -0.657) 2.748 13.226 ( 3.011 -0.761 -2.394) 3.922 13.257 ( 1.674 -0.042 1.690) 2.379 13.309 ( 0.987 -1.196 -0.072) 1.552 13.366 ( 0.489 -1.057 -0.721) 1.370 13.430 ( -3.522 0.356 0.333) 3.556 13.466 ( 0.380 -0.395 4.008) 4.045 13.548 ( -1.019 -0.076 -3.346) 3.498 13.657 ( 1.422 0.122 0.849) 1.661 13.772 ( -1.876 -2.417 0.640) 3.126 13.845 ( 1.652 -1.469 -1.493) 2.668 13.910 ( 1.163 2.157 -0.188) 2.458 13.995 ( 1.704 2.540 0.809) 3.163 14.059 ( 4.777 0.237 0.043) 4.783 14.109 ( 2.499 -1.651 0.012) 2.995 14.239 ( 0.807 -1.638 -1.549) 2.395 14.321 ( 0.611 -1.933 2.742) 3.410 14.363 ( 0.342 0.539 -1.256) 1.408 14.426 ( 0.017 0.873 -0.066) 0.875 14.912 ( -0.724 -1.713 1.458) 2.363 15.045 ( 1.125 -4.006 -2.721) 4.972 15.146 ( 0.704 -4.485 -0.492) 4.566 15.224 ( -2.685 -3.192 1.169) 4.332 15.306 ( 2.391 -2.239 -0.157) 3.279 15.348 ( 3.466 0.853 -0.183) 3.575 15.583 ( -2.168 -1.403 1.005) 2.771 15.725 ( -0.718 -2.915 -0.397) 3.028 15.836 ( -0.236 -3.600 -0.105) 3.610 15.875 ( 0.890 -2.798 0.631) 3.003 16.143 ( 1.382 0.715 0.204) 1.570 16.278 ( -2.297 0.126 -0.538) 2.363 ======================= Grid point 40 (29/72) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.471 ( 1.886 3.317 5.722) 6.877 4.634 ( 26.302 -6.464 -3.842) 27.356 4.985 ( 15.728 -4.216 -2.107) 16.419 4.999 ( -5.796 -1.473 -3.642) 7.002 5.197 ( -0.394 1.437 -0.270) 1.515 5.333 ( 1.894 -6.886 -2.457) 7.553 5.353 ( -4.575 -8.653 -7.492) 12.326 5.420 ( -4.593 -7.650 -2.386) 9.237 5.473 ( -19.562 -0.496 14.667) 24.455 5.546 ( -6.363 -2.786 6.949) 9.826 5.654 ( 0.245 1.485 0.008) 1.505 5.857 ( 1.816 -1.881 -4.210) 4.956 5.944 ( -1.640 -1.469 -0.242) 2.215 6.059 ( -4.243 -4.992 0.004) 6.552 6.106 ( -0.170 -3.219 0.201) 3.229 6.336 ( 10.887 -9.780 7.445) 16.420 6.393 ( 10.381 -4.134 -9.461) 14.642 6.504 ( -3.910 7.853 -1.669) 8.930 6.548 ( 3.161 -0.084 6.428) 7.164 6.601 ( 14.042 -9.701 -4.347) 17.613 6.700 ( 10.606 -5.867 -3.287) 12.558 6.773 ( 4.840 11.804 -0.864) 12.787 6.904 ( -0.456 -1.083 -2.124) 2.427 6.925 ( 6.592 -3.460 5.750) 9.407 6.957 ( -16.335 -3.271 1.572) 16.734 7.101 ( -2.747 10.743 1.230) 11.156 7.168 ( -5.814 3.514 -0.660) 6.826 7.256 ( -0.996 -1.454 -0.405) 1.809 7.296 ( -2.223 0.263 2.248) 3.172 7.502 ( 5.825 1.468 -2.543) 6.523 7.543 ( 1.549 1.632 3.136) 3.860 7.646 ( 0.618 1.588 3.647) 4.026 7.651 ( 2.985 0.112 -7.358) 7.941 7.707 ( 7.058 0.552 2.317) 7.449 7.884 ( 0.672 5.701 -1.481) 5.929 7.922 ( 2.885 11.013 -3.822) 12.009 8.029 ( 6.233 2.053 -4.659) 8.049 8.062 ( 4.282 2.629 6.994) 8.612 8.129 ( 6.391 -0.990 -2.210) 6.834 8.203 ( 2.314 6.965 4.021) 8.369 8.235 ( 4.748 2.799 5.082) 7.497 8.324 ( -2.476 0.865 -4.719) 5.399 8.361 ( -7.402 -1.991 -2.706) 8.129 8.433 ( -4.354 5.584 -1.547) 7.248 8.488 ( 2.394 0.088 -0.169) 2.401 8.551 ( 8.325 3.639 -0.309) 9.091 8.725 ( 1.542 -6.820 2.810) 7.536 8.813 ( 7.002 -6.572 1.346) 9.697 8.914 ( 5.642 -7.405 0.881) 9.351 9.081 ( -0.687 4.705 1.244) 4.915 9.138 ( 4.357 16.169 -0.513) 16.754 9.228 ( -12.474 -3.360 2.553) 13.169 9.266 ( 1.829 4.549 -0.884) 4.982 9.326 ( -6.951 5.108 -6.514) 10.810 9.442 ( -5.575 19.394 6.302) 21.141 9.540 ( -6.938 10.844 -1.321) 12.941 9.688 ( 4.338 -0.398 -6.432) 7.768 9.871 ( 3.339 5.787 0.015) 6.682 9.962 ( -9.643 -2.705 3.920) 10.755 10.024 ( -1.677 5.822 0.803) 6.112 10.141 ( -9.565 -3.659 -1.354) 10.330 10.221 ( -0.225 3.268 3.715) 4.953 10.303 ( -3.851 -3.051 -2.303) 5.426 10.458 ( -1.700 7.940 -0.973) 8.178 10.504 ( -2.236 3.478 -0.840) 4.219 10.553 ( -1.429 0.880 0.699) 1.818 10.706 ( -1.256 0.893 0.223) 1.557 10.716 ( -2.234 -2.072 0.587) 3.103 10.777 ( -1.908 3.263 0.746) 3.853 10.873 ( -0.864 0.019 0.803) 1.180 10.952 ( -2.344 3.130 -2.323) 4.548 11.050 ( -1.935 0.108 -0.129) 1.942 11.070 ( -0.977 1.556 0.976) 2.080 11.116 ( -6.734 1.062 -0.309) 6.824 11.172 ( -2.224 2.523 -0.879) 3.477 11.357 ( -0.277 -0.100 2.318) 2.337 11.505 ( -1.635 4.634 -3.372) 5.960 11.721 ( -0.852 -0.195 2.256) 2.420 12.122 ( 2.657 -1.660 -0.942) 3.272 12.222 ( -0.771 -5.048 0.497) 5.130 12.711 ( 2.695 -2.830 -0.495) 3.939 12.777 ( 1.262 -2.512 2.225) 3.585 12.806 ( -2.368 -1.715 -1.418) 3.250 12.858 ( -0.826 -0.779 0.055) 1.137 12.923 ( 1.564 -0.468 -0.068) 1.634 12.941 ( 0.389 0.247 -0.304) 0.552 13.047 ( -0.970 1.216 -0.933) 1.813 13.123 ( 2.761 -0.503 0.819) 2.924 13.129 ( 0.597 0.600 -0.409) 0.941 13.196 ( -0.158 -1.720 0.520) 1.803 13.259 ( 1.215 -0.599 -0.496) 1.443 13.268 ( 3.020 0.954 0.616) 3.226 13.331 ( -0.190 -0.579 -1.298) 1.433 13.380 ( -0.359 -0.596 -0.893) 1.133 13.391 ( -2.815 0.578 1.781) 3.381 13.474 ( -0.961 0.150 2.969) 3.124 13.532 ( -1.263 0.068 -3.097) 3.346 13.677 ( 1.697 -1.541 0.642) 2.381 13.798 ( -2.204 -2.014 0.780) 3.086 13.866 ( 1.565 1.736 -3.933) 4.575 13.884 ( -0.508 -0.076 3.021) 3.064 13.954 ( 0.312 2.618 -0.129) 2.639 14.081 ( 4.317 1.654 -0.151) 4.625 14.135 ( 0.337 0.611 0.515) 0.867 14.256 ( -0.158 -0.105 -0.955) 0.974 14.301 ( -0.529 2.252 0.429) 2.353 14.378 ( 0.714 0.736 0.159) 1.038 14.419 ( 0.197 -0.421 0.139) 0.485 14.916 ( -0.116 0.733 0.483) 0.886 15.108 ( 0.834 -1.799 -2.550) 3.230 15.224 ( -0.232 -1.586 2.056) 2.607 15.237 ( -0.960 -2.559 -0.051) 2.733 15.377 ( 1.879 -3.096 0.284) 3.633 15.402 ( 2.723 -2.922 -0.510) 4.027 15.573 ( -2.407 -0.376 0.112) 2.439 15.763 ( -0.435 -1.097 0.343) 1.229 15.895 ( -0.145 -2.896 -0.377) 2.924 15.929 ( 0.559 -1.994 0.204) 2.081 16.164 ( 4.278 -0.750 -0.002) 4.343 16.260 ( -4.841 -1.657 -0.103) 5.118 ======================= Grid point 41 (30/72) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( 0.000 23.599 0.000) 23.599 4.741 ( 0.000 14.375 0.000) 14.375 4.794 ( 0.000 14.300 0.000) 14.300 5.058 ( 0.000 11.129 0.000) 11.129 5.162 ( -0.000 -2.312 -0.000) 2.312 5.276 ( 0.000 11.150 0.000) 11.150 5.363 ( 0.000 10.746 0.000) 10.746 5.405 ( -0.000 -5.926 -0.000) 5.926 5.589 ( -0.000 -2.439 -0.000) 2.439 5.645 ( -0.000 -12.690 -0.000) 12.690 5.680 ( -0.000 -4.646 -0.000) 4.646 5.880 ( 0.000 6.344 0.000) 6.344 5.952 ( -0.000 -6.812 -0.000) 6.812 6.118 ( -0.000 -3.048 -0.000) 3.048 6.118 ( 0.000 0.873 0.000) 0.873 6.171 ( 0.000 11.500 0.000) 11.500 6.319 ( 0.000 19.708 0.000) 19.708 6.502 ( 0.000 5.269 0.000) 5.269 6.534 ( 0.000 1.335 0.000) 1.335 6.678 ( -0.000 -7.743 -0.000) 7.743 6.718 ( 0.000 12.629 0.000) 12.629 6.785 ( 0.000 0.556 0.000) 0.556 6.798 ( 0.000 18.970 0.000) 18.970 6.938 ( 0.000 1.530 0.000) 1.530 6.990 ( -0.000 -5.756 -0.000) 5.756 7.024 ( -0.000 -2.122 -0.000) 2.122 7.214 ( 0.000 13.546 0.000) 13.546 7.260 ( -0.000 -6.525 -0.000) 6.525 7.312 ( -0.000 -13.778 -0.000) 13.778 7.355 ( 0.000 7.107 0.000) 7.107 7.483 ( 0.000 9.004 0.000) 9.004 7.535 ( 0.000 0.889 0.000) 0.889 7.556 ( 0.000 17.139 0.000) 17.139 7.704 ( 0.000 4.865 0.000) 4.865 7.787 ( 0.000 8.399 0.000) 8.399 7.806 ( -0.000 -2.275 -0.000) 2.275 7.901 ( 0.000 10.961 0.000) 10.961 7.938 ( 0.000 19.599 0.000) 19.599 8.083 ( -0.000 -1.094 -0.000) 1.094 8.084 ( 0.000 3.477 0.000) 3.477 8.264 ( -0.000 -8.237 -0.000) 8.237 8.357 ( -0.000 -4.135 -0.000) 4.135 8.368 ( -0.000 -6.366 -0.000) 6.366 8.425 ( 0.000 0.818 0.000) 0.818 8.558 ( -0.000 -1.481 -0.000) 1.481 8.568 ( 0.000 1.319 0.000) 1.319 8.720 ( 0.000 9.579 0.000) 9.579 8.876 ( 0.000 2.252 0.000) 2.252 8.966 ( -0.000 -4.630 -0.000) 4.630 9.037 ( -0.000 -3.059 -0.000) 3.059 9.054 ( 0.000 4.231 0.000) 4.231 9.213 ( -0.000 -5.736 -0.000) 5.736 9.342 ( -0.000 -19.689 -0.000) 19.689 9.361 ( -0.000 -0.898 -0.000) 0.898 9.417 ( -0.000 -9.059 -0.000) 9.059 9.467 ( -0.000 -11.054 -0.000) 11.054 9.671 ( 0.000 6.362 0.000) 6.362 9.898 ( -0.000 -5.501 -0.000) 5.501 9.900 ( -0.000 -5.375 -0.000) 5.375 10.087 ( -0.000 -9.177 -0.000) 9.177 10.095 ( 0.000 4.435 0.000) 4.435 10.229 ( -0.000 -8.256 -0.000) 8.256 10.358 ( 0.000 1.622 0.000) 1.622 10.377 ( -0.000 -3.489 -0.000) 3.489 10.438 ( 0.000 1.291 0.000) 1.291 10.572 ( -0.000 -1.874 -0.000) 1.874 10.684 ( 0.000 0.183 0.000) 0.183 10.748 ( -0.000 -2.084 -0.000) 2.084 10.759 ( -0.000 -0.474 -0.000) 0.474 10.870 ( 0.000 3.784 0.000) 3.784 10.885 ( -0.000 -1.637 -0.000) 1.637 11.048 ( 0.000 0.527 0.000) 0.527 11.073 ( -0.000 -2.208 -0.000) 2.208 11.100 ( -0.000 -6.136 -0.000) 6.136 11.188 ( -0.000 -3.666 -0.000) 3.666 11.396 ( 0.000 5.567 0.000) 5.567 11.399 ( -0.000 -3.738 -0.000) 3.738 11.740 ( -0.000 -1.778 -0.000) 1.778 12.180 ( -0.000 -2.832 -0.000) 2.832 12.306 ( -0.000 -4.479 -0.000) 4.479 12.792 ( -0.000 -3.537 -0.000) 3.537 12.799 ( -0.000 -0.772 -0.000) 0.772 12.847 ( -0.000 -2.492 -0.000) 2.492 12.864 ( -0.000 -0.704 -0.000) 0.704 12.934 ( 0.000 0.990 0.000) 0.990 12.938 ( -0.000 -0.477 -0.000) 0.477 13.025 ( 0.000 0.154 0.000) 0.154 13.113 ( 0.000 0.838 0.000) 0.838 13.159 ( -0.000 -0.349 -0.000) 0.349 13.207 ( -0.000 -0.306 -0.000) 0.306 13.263 ( 0.000 1.246 0.000) 1.246 13.274 ( 0.000 0.003 0.000) 0.003 13.315 ( 0.000 2.186 0.000) 2.186 13.377 ( -0.000 -0.662 -0.000) 0.662 13.387 ( -0.000 -0.471 -0.000) 0.471 13.454 ( 0.000 0.708 0.000) 0.708 13.523 ( 0.000 0.141 0.000) 0.141 13.734 ( -0.000 -2.377 -0.000) 2.377 13.784 ( 0.000 2.693 0.000) 2.693 13.839 ( 0.000 1.637 0.000) 1.637 13.891 ( -0.000 -0.614 -0.000) 0.614 13.928 ( -0.000 -0.539 -0.000) 0.539 14.069 ( 0.000 2.583 0.000) 2.583 14.096 ( 0.000 2.849 0.000) 2.849 14.239 ( 0.000 1.704 0.000) 1.704 14.260 ( 0.000 2.244 0.000) 2.244 14.352 ( 0.000 1.638 0.000) 1.638 14.425 ( 0.000 0.497 0.000) 0.497 14.890 ( 0.000 2.024 0.000) 2.024 15.115 ( 0.000 1.209 0.000) 1.209 15.207 ( 0.000 1.907 0.000) 1.907 15.291 ( -0.000 -2.090 -0.000) 2.090 15.444 ( -0.000 -3.040 -0.000) 3.040 15.468 ( -0.000 -2.753 -0.000) 2.753 15.571 ( -0.000 -0.677 -0.000) 0.677 15.747 ( 0.000 2.407 0.000) 2.407 15.933 ( -0.000 -1.243 -0.000) 1.243 15.952 ( -0.000 -0.451 -0.000) 0.451 16.233 ( -0.000 -2.140 -0.000) 2.140 16.260 ( -0.000 -2.577 -0.000) 2.577 ======================= Grid point 48 (31/72) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( 43.935 0.000 10.216) 45.108 3.798 ( 34.174 0.000 -17.180) 38.250 4.146 ( 37.748 0.000 -14.703) 40.510 4.300 ( 38.903 0.000 -15.415) 41.846 4.327 ( 18.813 0.000 29.887) 35.316 4.468 ( 32.280 0.000 14.950) 35.574 5.057 ( 19.677 0.000 -6.533) 20.733 5.221 ( 21.322 0.000 0.091) 21.322 5.222 ( -13.039 -0.000 -5.320) 14.083 5.308 ( -18.481 -0.000 7.214) 19.839 5.439 ( 8.382 0.000 0.245) 8.385 5.566 ( 25.401 0.000 -2.377) 25.512 5.583 ( -8.966 -0.000 -5.847) 10.704 5.691 ( 36.548 0.000 -0.189) 36.548 5.747 ( 7.050 0.000 2.007) 7.330 5.803 ( 20.031 0.000 -17.842) 26.825 5.906 ( 16.053 0.000 32.993) 36.691 5.952 ( -3.784 -0.000 -9.181) 9.930 6.009 ( 53.801 0.000 -17.561) 56.595 6.234 ( -23.472 -0.000 2.889) 23.649 6.301 ( -11.831 -0.000 17.301) 20.960 6.611 ( -9.842 -0.000 -3.985) 10.618 6.651 ( -14.188 -0.000 -5.755) 15.310 6.725 ( 44.127 0.000 16.981) 47.282 6.729 ( -14.169 -0.000 0.743) 14.188 6.977 ( 22.569 0.000 -9.471) 24.476 7.087 ( -14.354 -0.000 -10.504) 17.787 7.147 ( 8.442 0.000 12.126) 14.775 7.220 ( 8.338 0.000 14.586) 16.801 7.331 ( 17.221 0.000 -24.292) 29.777 7.334 ( 4.622 0.000 8.055) 9.286 7.512 ( -11.967 -0.000 0.491) 11.977 7.538 ( 15.899 0.000 2.804) 16.144 7.598 ( -0.792 -0.000 -3.110) 3.209 7.717 ( 1.112 0.000 -13.346) 13.392 7.822 ( 10.662 0.000 1.631) 10.786 8.115 ( 7.814 0.000 -1.293) 7.920 8.169 ( -6.491 -0.000 3.416) 7.335 8.196 ( -6.726 -0.000 1.550) 6.902 8.282 ( -16.756 -0.000 -6.725) 18.056 8.544 ( -8.421 -0.000 6.753) 10.795 8.608 ( -5.234 -0.000 5.022) 7.254 8.789 ( 4.859 0.000 1.503) 5.086 8.979 ( 2.949 0.000 7.325) 7.896 9.006 ( -6.257 -0.000 6.611) 9.103 9.066 ( -8.683 -0.000 -6.115) 10.620 9.082 ( -8.999 -0.000 -2.537) 9.350 9.099 ( -7.216 -0.000 -1.842) 7.447 9.357 ( -2.316 -0.000 4.516) 5.075 9.373 ( -2.989 -0.000 -6.895) 7.515 9.540 ( -4.524 -0.000 0.076) 4.524 9.576 ( -7.175 -0.000 -3.880) 8.157 9.652 ( -8.298 -0.000 2.934) 8.802 9.674 ( -4.838 -0.000 -0.854) 4.913 9.740 ( -10.028 -0.000 11.252) 15.072 9.813 ( -21.683 -0.000 -10.695) 24.177 9.844 ( -9.502 -0.000 -21.358) 23.376 9.984 ( -17.576 -0.000 12.935) 21.823 10.319 ( 0.172 0.000 7.334) 7.336 10.421 ( -7.201 -0.000 -2.436) 7.602 10.502 ( -1.883 -0.000 0.633) 1.986 10.505 ( -4.180 -0.000 -1.646) 4.492 10.599 ( -8.607 -0.000 5.018) 9.963 10.678 ( -4.085 -0.000 -0.133) 4.087 10.730 ( -7.776 -0.000 4.573) 9.021 10.869 ( -8.411 -0.000 -5.718) 10.170 10.945 ( -10.488 -0.000 3.482) 11.051 11.064 ( -6.776 -0.000 -4.158) 7.950 11.192 ( 1.104 0.000 -4.745) 4.872 11.250 ( -3.806 -0.000 2.020) 4.309 11.326 ( -3.239 -0.000 0.028) 3.240 11.351 ( -0.211 -0.000 -2.675) 2.683 11.382 ( 0.387 0.000 3.161) 3.185 11.431 ( 2.626 0.000 -0.266) 2.640 11.593 ( 1.541 0.000 4.238) 4.510 11.610 ( -4.021 -0.000 -5.562) 6.863 11.700 ( -2.150 -0.000 2.201) 3.076 11.918 ( -3.958 -0.000 -1.078) 4.102 12.077 ( -10.756 -0.000 3.846) 11.423 12.192 ( -7.102 -0.000 -2.068) 7.397 12.654 ( -1.397 -0.000 0.440) 1.465 12.673 ( -1.800 -0.000 -0.380) 1.840 12.802 ( 1.310 0.000 0.908) 1.594 12.807 ( 1.187 0.000 -0.925) 1.505 12.911 ( 2.565 0.000 -1.243) 2.850 12.913 ( 3.790 0.000 0.952) 3.908 12.981 ( -0.616 -0.000 -0.029) 0.616 13.044 ( 2.701 0.000 1.854) 3.277 13.073 ( 1.663 0.000 0.454) 1.724 13.073 ( 0.142 0.000 -2.411) 2.415 13.256 ( 3.865 0.000 1.464) 4.133 13.291 ( 3.055 0.000 -0.606) 3.115 13.333 ( 1.922 0.000 1.013) 2.173 13.336 ( 2.860 0.000 -3.774) 4.735 13.419 ( -1.221 -0.000 -1.275) 1.766 13.435 ( -0.450 -0.000 4.659) 4.681 13.504 ( 2.224 0.000 -0.556) 2.293 13.613 ( 5.792 0.000 -1.008) 5.879 13.743 ( 2.214 0.000 1.823) 2.868 13.762 ( 1.106 0.000 -1.330) 1.729 13.920 ( 2.876 0.000 0.602) 2.938 13.969 ( 3.012 0.000 0.370) 3.035 14.071 ( -1.157 -0.000 -4.172) 4.329 14.090 ( -1.737 -0.000 -1.180) 2.100 14.105 ( 1.480 0.000 4.235) 4.486 14.137 ( 2.784 0.000 0.319) 2.802 14.429 ( -0.391 -0.000 -1.352) 1.407 14.440 ( -0.180 -0.000 1.155) 1.169 14.780 ( -1.558 -0.000 1.885) 2.446 14.888 ( 1.583 0.000 -2.141) 2.662 15.005 ( 0.726 0.000 -0.054) 0.728 15.065 ( -0.019 -0.000 -0.488) 0.488 15.333 ( -2.192 -0.000 0.667) 2.291 15.388 ( 0.246 0.000 -5.038) 5.044 15.470 ( -3.089 -0.000 4.166) 5.186 15.637 ( 0.489 0.000 0.667) 0.827 15.741 ( -1.096 -0.000 -1.165) 1.600 15.826 ( -0.345 -0.000 0.708) 0.788 16.152 ( -1.354 -0.000 3.133) 3.413 16.347 ( 3.727 0.000 -2.503) 4.489 ======================= Grid point 49 (32/72) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.707 ( 41.076 -6.755 7.616) 42.319 4.119 ( 29.756 -5.918 -16.128) 34.359 4.438 ( 21.765 -0.490 7.674) 23.083 4.538 ( 28.043 -3.371 1.461) 28.283 4.709 ( 31.413 -9.686 -10.109) 34.392 4.790 ( 8.071 -7.282 6.315) 12.572 5.085 ( -19.899 -2.179 10.219) 22.476 5.107 ( -9.950 -6.588 1.520) 12.030 5.331 ( 1.961 -6.608 1.833) 7.133 5.372 ( 11.538 -2.992 -7.116) 13.882 5.534 ( -2.063 -4.274 -2.615) 5.419 5.548 ( -4.136 -2.179 -2.264) 5.194 5.684 ( 4.920 -1.529 -3.537) 6.249 5.810 ( 2.865 -2.180 0.258) 3.609 5.900 ( -0.776 -2.745 -13.975) 14.264 5.964 ( 6.521 -4.548 -7.872) 11.188 6.029 ( 8.459 -0.974 16.274) 18.367 6.061 ( 14.299 -1.100 11.714) 18.517 6.166 ( -0.302 -6.744 3.606) 7.653 6.297 ( -0.590 -4.971 15.782) 16.557 6.437 ( 9.519 -1.358 -12.727) 15.951 6.533 ( 25.479 -0.685 -14.231) 29.192 6.664 ( 5.735 -5.932 8.882) 12.123 6.674 ( 2.745 -3.916 -3.208) 5.759 6.981 ( -9.239 -4.302 -6.842) 12.275 7.106 ( 15.892 -1.898 10.020) 18.882 7.135 ( 13.692 -4.429 -15.135) 20.885 7.205 ( -1.407 -6.581 9.775) 11.868 7.378 ( 22.534 -0.154 5.738) 23.254 7.410 ( 0.403 1.969 6.312) 6.624 7.421 ( 11.999 -1.084 7.091) 13.980 7.558 ( 4.103 -3.594 -1.354) 5.620 7.598 ( 5.073 -9.031 -3.557) 10.952 7.670 ( 2.964 5.738 -8.480) 10.660 7.755 ( 13.534 -0.397 -2.641) 13.795 7.839 ( 4.507 6.679 -1.613) 8.217 8.004 ( -1.381 8.934 -2.008) 9.261 8.050 ( -10.667 3.911 -1.465) 11.456 8.093 ( -11.184 3.904 -0.720) 11.867 8.182 ( -5.446 0.150 -1.466) 5.642 8.485 ( -2.196 1.290 3.100) 4.012 8.545 ( 2.969 3.552 7.508) 8.821 8.811 ( -0.084 4.285 -1.766) 4.635 8.897 ( -3.389 5.312 -1.252) 6.424 8.962 ( -6.613 2.028 -3.968) 7.974 8.983 ( -4.488 3.022 8.714) 10.257 9.003 ( -4.280 2.008 -1.173) 4.871 9.067 ( -0.702 2.169 1.484) 2.720 9.192 ( -5.384 6.919 -1.104) 8.837 9.271 ( -11.453 10.192 -5.167) 16.179 9.447 ( -7.101 0.767 -0.019) 7.142 9.453 ( -5.055 7.431 1.601) 9.129 9.541 ( -4.417 3.012 -2.683) 5.981 9.581 ( -8.501 0.837 1.983) 8.769 9.697 ( -9.934 -2.335 -5.200) 11.453 9.741 ( -11.633 -6.814 3.052) 13.823 9.832 ( -7.895 -2.958 -8.744) 12.147 9.888 ( -6.094 -3.306 9.459) 11.728 10.278 ( -11.525 3.779 -5.773) 13.432 10.324 ( -0.749 0.339 4.333) 4.410 10.460 ( -2.213 4.462 -0.075) 4.981 10.468 ( 2.281 2.712 -1.169) 3.732 10.500 ( -10.505 1.318 7.600) 13.033 10.649 ( -2.611 0.043 -1.326) 2.929 10.683 ( -4.533 -0.453 1.278) 4.731 10.783 ( -7.523 1.315 -1.445) 7.772 10.849 ( -5.848 2.183 1.824) 6.503 10.978 ( -7.867 1.949 -3.479) 8.820 11.117 ( -0.006 6.959 -1.712) 7.166 11.213 ( -1.052 4.146 -0.120) 4.279 11.224 ( -0.835 8.072 1.644) 8.279 11.293 ( -3.139 2.997 -3.155) 5.366 11.318 ( -1.174 7.657 1.563) 7.903 11.419 ( 0.530 4.090 1.971) 4.571 11.567 ( -1.037 2.216 -4.052) 4.734 11.576 ( 1.099 4.538 0.886) 4.753 11.671 ( -1.905 1.724 1.090) 2.790 11.870 ( -2.890 2.770 0.529) 4.038 12.017 ( -6.328 -2.201 2.513) 7.156 12.130 ( -6.275 -0.052 -1.623) 6.481 12.641 ( -1.333 0.097 -0.128) 1.342 12.663 ( -1.018 -0.498 0.175) 1.147 12.801 ( 1.515 1.129 0.891) 2.088 12.818 ( 0.634 -0.350 -0.986) 1.224 12.914 ( 1.817 0.819 0.181) 2.002 12.930 ( 0.964 0.683 -0.076) 1.184 13.003 ( 1.717 -1.601 -0.244) 2.360 13.068 ( 2.221 -0.911 0.808) 2.533 13.085 ( 1.187 -0.767 -0.233) 1.433 13.123 ( -0.204 -3.367 -0.634) 3.432 13.285 ( 3.708 0.687 0.849) 3.866 13.310 ( 1.017 3.148 -1.108) 3.489 13.319 ( 2.433 0.974 1.376) 2.960 13.334 ( 1.571 0.522 -2.666) 3.138 13.411 ( -2.090 -1.054 -0.422) 2.379 13.456 ( 0.280 -0.992 3.934) 4.067 13.529 ( 1.300 -0.724 -1.564) 2.158 13.662 ( 4.562 -0.005 -0.089) 4.563 13.752 ( 0.309 0.704 -0.498) 0.916 13.782 ( 0.972 -1.420 0.667) 1.846 13.961 ( 3.363 -0.890 -0.108) 3.481 14.012 ( 2.144 -1.002 1.560) 2.835 14.021 ( 0.397 -0.122 -1.866) 1.912 14.087 ( 0.670 1.802 1.389) 2.371 14.140 ( -2.301 -3.724 -3.893) 5.858 14.190 ( 2.726 -2.849 2.920) 4.906 14.419 ( 0.270 1.146 -0.124) 1.184 14.436 ( -0.536 -0.065 -0.129) 0.556 14.797 ( -1.126 -2.910 1.604) 3.508 14.919 ( 1.219 -1.998 -1.689) 2.886 15.027 ( 0.704 -1.762 -0.488) 1.959 15.087 ( -0.753 -2.639 0.160) 2.749 15.299 ( -0.531 1.143 0.021) 1.260 15.398 ( 0.605 0.238 -4.496) 4.543 15.467 ( -2.638 -2.831 4.493) 5.930 15.655 ( 0.054 -1.429 0.049) 1.430 15.743 ( -0.580 -1.167 -0.618) 1.442 15.820 ( -0.102 0.181 0.528) 0.568 16.144 ( -0.950 -0.026 1.989) 2.204 16.354 ( 2.439 2.129 -1.635) 3.627 ======================= Grid point 50 (33/72) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.197 ( 34.825 -9.187 4.325) 36.275 4.466 ( 17.990 -6.050 -3.912) 19.379 4.636 ( 13.976 -6.875 -1.513) 15.649 4.757 ( -8.144 -6.392 -0.734) 10.379 4.916 ( 1.492 -9.807 -4.364) 10.837 4.982 ( -6.113 -4.201 6.296) 9.729 5.096 ( 13.943 -8.938 -5.214) 17.364 5.241 ( -7.986 -6.171 1.311) 10.177 5.382 ( -8.866 -4.614 2.310) 10.259 5.430 ( -12.613 -2.980 5.537) 14.094 5.604 ( 3.707 -9.570 -3.493) 10.840 5.689 ( 6.121 -11.281 0.378) 12.840 5.768 ( 3.711 -3.580 -0.801) 5.219 5.874 ( 1.106 -2.973 -0.723) 3.254 5.947 ( 0.732 1.811 -2.994) 3.575 6.042 ( 2.846 -6.197 5.352) 8.668 6.147 ( -1.717 -9.723 -0.484) 9.885 6.221 ( 6.882 -0.782 -0.497) 6.944 6.334 ( 2.066 -12.295 -1.124) 12.518 6.399 ( -1.500 -5.790 -2.027) 6.315 6.405 ( -3.998 -5.938 3.736) 8.075 6.823 ( 12.830 -1.463 -8.574) 15.500 6.838 ( 4.692 -9.246 8.116) 13.167 6.892 ( 20.751 -1.096 -3.250) 21.033 7.124 ( 2.607 0.579 -0.417) 2.703 7.148 ( 6.980 -3.847 6.458) 10.258 7.335 ( 7.936 -2.129 -6.390) 10.409 7.381 ( 8.524 -8.245 -3.973) 12.508 7.404 ( -3.145 -6.259 7.452) 10.227 7.471 ( 6.864 5.421 -13.030) 15.694 7.519 ( -0.165 3.714 12.611) 13.147 7.579 ( -3.716 -0.808 4.339) 5.770 7.613 ( 9.101 11.256 5.897) 15.630 7.681 ( -11.773 0.549 -6.410) 13.416 7.784 ( -2.199 -5.261 -6.215) 8.434 7.806 ( 2.027 -5.170 -3.538) 6.585 7.919 ( 13.799 -3.944 2.404) 14.551 7.997 ( -1.164 -1.995 3.456) 4.157 8.028 ( 1.153 -0.352 -3.478) 3.681 8.174 ( 6.511 -1.510 6.801) 9.536 8.417 ( 0.186 5.810 -0.655) 5.850 8.540 ( -1.271 6.548 -1.317) 6.799 8.574 ( -7.077 13.853 -2.377) 15.737 8.722 ( -1.799 9.102 -3.379) 9.874 8.772 ( 3.117 9.915 -2.525) 10.696 8.874 ( -2.293 12.341 2.666) 12.832 8.913 ( -3.748 5.214 8.394) 10.568 8.997 ( 2.397 1.586 2.103) 3.562 9.022 ( -6.166 7.095 -6.036) 11.171 9.111 ( -6.763 1.025 -1.484) 6.999 9.258 ( -2.966 7.991 2.725) 8.948 9.291 ( -7.749 8.522 0.639) 11.536 9.458 ( -4.712 1.696 -2.870) 5.772 9.577 ( 2.767 -3.024 -1.054) 4.232 9.659 ( -2.527 0.614 -3.113) 4.056 9.716 ( -14.209 -4.772 6.400) 16.298 9.841 ( -3.153 -3.511 -5.742) 7.433 9.983 ( 2.756 -5.772 7.516) 9.870 10.140 ( -8.064 0.982 -5.963) 10.078 10.252 ( -0.974 16.770 -1.306) 16.849 10.300 ( -1.771 2.551 1.742) 3.561 10.348 ( -4.224 9.567 2.045) 10.656 10.468 ( 1.626 0.426 0.444) 1.739 10.578 ( -4.057 6.531 0.279) 7.694 10.662 ( -0.884 0.411 -0.645) 1.168 10.700 ( -4.826 0.393 1.799) 5.165 10.765 ( -1.140 5.577 1.030) 5.785 10.850 ( -5.229 3.415 -3.806) 7.314 10.981 ( -0.541 12.800 1.429) 12.891 11.022 ( -2.274 5.738 -0.153) 6.174 11.085 ( -1.282 6.906 0.317) 7.032 11.150 ( -1.958 8.450 0.262) 8.677 11.246 ( -0.573 1.468 -2.038) 2.576 11.287 ( -1.590 8.757 2.404) 9.219 11.438 ( -0.652 10.185 -1.531) 10.320 11.478 ( -1.572 6.053 -1.460) 6.422 11.627 ( -0.415 1.868 0.502) 1.979 11.788 ( -1.609 3.605 1.239) 4.137 12.043 ( -1.389 -3.922 0.848) 4.247 12.093 ( -3.221 -0.754 -0.884) 3.424 12.637 ( -0.511 -0.804 -0.432) 1.046 12.680 ( -0.196 -1.978 0.530) 2.057 12.792 ( 0.310 0.823 0.304) 0.931 12.832 ( 0.422 -0.687 -0.401) 0.900 12.918 ( 0.913 0.049 0.251) 0.948 12.931 ( 0.347 -0.178 -0.216) 0.446 13.050 ( 1.649 -1.953 -0.354) 2.580 13.094 ( 0.129 0.206 0.565) 0.615 13.118 ( 1.631 -1.942 0.183) 2.542 13.182 ( -0.204 -3.222 -0.680) 3.299 13.234 ( -0.343 4.073 -0.508) 4.119 13.294 ( 2.268 1.020 -0.663) 2.574 13.318 ( 1.107 0.781 1.076) 1.730 13.362 ( 1.912 -0.661 -0.719) 2.147 13.407 ( -2.345 -0.501 0.119) 2.401 13.473 ( 0.789 -0.188 3.446) 3.540 13.537 ( -0.711 0.024 -2.686) 2.778 13.680 ( 1.507 1.000 0.361) 1.844 13.743 ( -0.093 -0.133 -0.055) 0.171 13.821 ( 0.579 -2.045 -0.024) 2.125 13.958 ( 0.894 1.871 -0.870) 2.249 14.054 ( 1.239 2.190 1.005) 2.709 14.068 ( 0.751 -2.231 -0.758) 2.473 14.090 ( 4.257 -2.901 2.426) 5.694 14.176 ( -3.297 -3.576 -3.671) 6.094 14.280 ( 2.082 -4.077 2.420) 5.178 14.388 ( -0.295 2.086 -0.666) 2.210 14.436 ( 0.023 0.030 0.015) 0.041 14.853 ( -0.686 -3.648 0.967) 3.835 14.977 ( 0.455 -3.721 -1.140) 3.918 15.080 ( 0.631 -3.460 -0.583) 3.565 15.137 ( -1.446 -3.725 0.551) 4.033 15.297 ( 0.970 -0.641 0.038) 1.163 15.389 ( 1.382 1.048 -1.534) 2.315 15.521 ( -1.469 -4.013 1.931) 4.690 15.678 ( -0.378 -1.408 -0.642) 1.593 15.775 ( -0.138 -2.769 -0.083) 2.774 15.833 ( 0.094 -1.889 0.478) 1.950 16.142 ( -0.392 -0.450 0.662) 0.892 16.315 ( 0.679 3.465 -0.694) 3.598 ======================= Grid point 51 (34/72) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.493 ( -0.000 -2.165 -0.000) 2.165 4.690 ( -0.000 -11.146 -0.000) 11.146 4.747 ( -0.000 -6.246 -0.000) 6.246 4.962 ( -0.000 -9.238 -0.000) 9.238 5.016 ( -0.000 -14.517 -0.000) 14.517 5.208 ( -0.000 -7.770 -0.000) 7.770 5.264 ( -0.000 -8.303 -0.000) 8.303 5.268 ( -0.000 -3.903 -0.000) 3.903 5.298 ( -0.000 -2.190 -0.000) 2.190 5.569 ( -0.000 -8.406 -0.000) 8.406 5.648 ( 0.000 10.038 0.000) 10.038 5.850 ( -0.000 -7.972 -0.000) 7.972 5.894 ( -0.000 -1.248 -0.000) 1.248 5.914 ( -0.000 -3.612 -0.000) 3.612 6.003 ( -0.000 -10.698 -0.000) 10.698 6.187 ( -0.000 -3.156 -0.000) 3.156 6.324 ( -0.000 -8.717 -0.000) 8.717 6.343 ( -0.000 -16.940 -0.000) 16.940 6.542 ( -0.000 -7.384 -0.000) 7.384 6.564 ( -0.000 -12.027 -0.000) 12.027 6.579 ( -0.000 -10.887 -0.000) 10.887 6.836 ( 0.000 10.299 0.000) 10.299 6.936 ( -0.000 -1.197 -0.000) 1.197 6.946 ( 0.000 0.777 0.000) 0.777 7.046 ( 0.000 8.598 0.000) 8.598 7.184 ( 0.000 5.812 0.000) 5.812 7.246 ( 0.000 3.296 0.000) 3.296 7.326 ( 0.000 13.673 0.000) 13.673 7.377 ( 0.000 5.283 0.000) 5.283 7.467 ( -0.000 -6.074 -0.000) 6.074 7.561 ( -0.000 -2.037 -0.000) 2.037 7.572 ( 0.000 1.430 0.000) 1.430 7.666 ( -0.000 -8.495 -0.000) 8.495 7.726 ( -0.000 -4.969 -0.000) 4.969 7.916 ( -0.000 -11.628 -0.000) 11.628 7.998 ( 0.000 0.414 0.000) 0.414 8.066 ( -0.000 -1.407 -0.000) 1.407 8.110 ( -0.000 -9.801 -0.000) 9.801 8.119 ( -0.000 -13.647 -0.000) 13.647 8.220 ( 0.000 6.214 0.000) 6.214 8.247 ( 0.000 11.892 0.000) 11.892 8.283 ( 0.000 5.989 0.000) 5.989 8.362 ( 0.000 2.012 0.000) 2.012 8.556 ( 0.000 15.530 0.000) 15.530 8.571 ( 0.000 10.861 0.000) 10.861 8.788 ( 0.000 7.550 0.000) 7.550 8.809 ( -0.000 -2.341 -0.000) 2.341 8.828 ( 0.000 8.077 0.000) 8.077 8.872 ( 0.000 9.827 0.000) 9.827 9.109 ( -0.000 -1.000 -0.000) 1.000 9.124 ( 0.000 1.490 0.000) 1.490 9.149 ( 0.000 2.235 0.000) 2.235 9.388 ( 0.000 3.520 0.000) 3.520 9.581 ( 0.000 7.514 0.000) 7.514 9.676 ( -0.000 -0.393 -0.000) 0.393 9.748 ( -0.000 -7.732 -0.000) 7.732 9.755 ( 0.000 22.542 0.000) 22.542 9.960 ( -0.000 -1.961 -0.000) 1.961 9.976 ( 0.000 24.312 0.000) 24.312 10.061 ( 0.000 4.949 0.000) 4.949 10.137 ( -0.000 -2.762 -0.000) 2.762 10.240 ( 0.000 4.283 0.000) 4.283 10.357 ( 0.000 11.368 0.000) 11.368 10.496 ( -0.000 -1.123 -0.000) 1.123 10.613 ( 0.000 5.130 0.000) 5.130 10.682 ( 0.000 12.599 0.000) 12.599 10.686 ( 0.000 0.510 0.000) 0.510 10.687 ( 0.000 0.861 0.000) 0.861 10.812 ( 0.000 1.087 0.000) 1.087 10.947 ( 0.000 7.521 0.000) 7.521 10.982 ( 0.000 3.390 0.000) 3.390 11.040 ( -0.000 -0.476 -0.000) 0.476 11.121 ( 0.000 6.579 0.000) 6.579 11.217 ( 0.000 3.022 0.000) 3.022 11.231 ( 0.000 11.004 0.000) 11.004 11.374 ( 0.000 3.204 0.000) 3.204 11.580 ( 0.000 3.636 0.000) 3.636 11.729 ( 0.000 1.809 0.000) 1.809 12.100 ( -0.000 -1.505 -0.000) 1.505 12.124 ( -0.000 -5.124 -0.000) 5.124 12.666 ( -0.000 -2.620 -0.000) 2.620 12.729 ( -0.000 -3.292 -0.000) 3.292 12.782 ( 0.000 0.164 0.000) 0.164 12.845 ( -0.000 -0.535 -0.000) 0.535 12.926 ( -0.000 -0.218 -0.000) 0.218 12.938 ( -0.000 -0.401 -0.000) 0.401 13.074 ( 0.000 1.619 0.000) 1.619 13.102 ( -0.000 -2.424 -0.000) 2.424 13.150 ( 0.000 0.066 0.000) 0.066 13.179 ( 0.000 0.832 0.000) 0.832 13.236 ( -0.000 -2.467 -0.000) 2.467 13.293 ( 0.000 0.335 0.000) 0.335 13.317 ( -0.000 -0.294 -0.000) 0.294 13.374 ( -0.000 -0.023 -0.000) 0.023 13.393 ( 0.000 0.585 0.000) 0.585 13.480 ( 0.000 0.203 0.000) 0.203 13.527 ( 0.000 0.155 0.000) 0.155 13.670 ( 0.000 0.263 0.000) 0.263 13.755 ( -0.000 -1.336 -0.000) 1.336 13.860 ( -0.000 -1.749 -0.000) 1.749 13.921 ( 0.000 2.553 0.000) 2.553 14.010 ( 0.000 2.951 0.000) 2.951 14.106 ( -0.000 -1.018 -0.000) 1.018 14.142 ( -0.000 -0.291 -0.000) 0.291 14.222 ( -0.000 -3.101 -0.000) 3.101 14.343 ( 0.000 2.423 0.000) 2.423 14.359 ( -0.000 -3.081 -0.000) 3.081 14.428 ( 0.000 0.935 0.000) 0.935 14.904 ( -0.000 -1.967 -0.000) 1.967 15.053 ( -0.000 -4.191 -0.000) 4.191 15.155 ( -0.000 -4.354 -0.000) 4.354 15.192 ( -0.000 -2.928 -0.000) 2.928 15.332 ( -0.000 -2.545 -0.000) 2.545 15.387 ( -0.000 -0.224 -0.000) 0.224 15.559 ( -0.000 -0.698 -0.000) 0.698 15.716 ( -0.000 -3.116 -0.000) 3.116 15.834 ( -0.000 -3.561 -0.000) 3.561 15.884 ( -0.000 -3.158 -0.000) 3.158 16.158 ( -0.000 -1.468 -0.000) 1.468 16.254 ( 0.000 2.900 0.000) 2.900 ======================= Grid point 61 (35/72) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( 39.786 0.000 7.562) 40.498 4.317 ( 29.106 0.000 -17.808) 34.122 4.561 ( 6.808 0.000 9.953) 12.059 4.641 ( -26.336 -0.000 -4.276) 26.681 4.742 ( 7.468 0.000 5.516) 9.284 4.905 ( 29.337 0.000 -10.980) 31.324 4.916 ( -0.760 -0.000 6.089) 6.136 5.054 ( 12.395 0.000 7.808) 14.649 5.254 ( -9.219 -0.000 3.566) 9.884 5.400 ( -15.656 -0.000 5.324) 16.536 5.448 ( 2.901 0.000 -7.366) 7.917 5.502 ( 2.200 0.000 -6.061) 6.448 5.695 ( -1.221 -0.000 -6.929) 7.036 5.787 ( -2.747 -0.000 2.860) 3.966 5.809 ( -3.918 -0.000 -5.343) 6.625 5.974 ( 4.519 0.000 -6.396) 7.831 6.041 ( 6.433 0.000 8.966) 11.035 6.109 ( 4.836 0.000 16.414) 17.111 6.182 ( 3.119 0.000 -0.019) 3.120 6.281 ( 1.223 0.000 2.412) 2.704 6.310 ( -17.724 -0.000 -9.772) 20.239 6.614 ( 3.261 0.000 11.477) 11.931 6.780 ( -6.248 -0.000 -9.251) 11.164 6.861 ( 38.793 0.000 -10.422) 40.169 6.952 ( 35.869 0.000 1.948) 35.922 7.096 ( -0.870 -0.000 1.122) 1.420 7.134 ( -0.664 -0.000 4.173) 4.225 7.237 ( 11.917 0.000 -10.416) 15.827 7.339 ( -5.918 -0.000 5.980) 8.413 7.449 ( -3.627 -0.000 0.840) 3.723 7.538 ( -0.498 -0.000 12.983) 12.993 7.578 ( -4.551 -0.000 -10.833) 11.750 7.672 ( 19.078 0.000 2.414) 19.230 7.777 ( 10.684 0.000 -3.157) 11.141 7.811 ( -3.211 -0.000 -3.068) 4.441 7.887 ( -8.140 -0.000 -2.606) 8.547 7.913 ( -11.246 -0.000 12.663) 16.935 8.023 ( 9.300 0.000 -2.134) 9.542 8.174 ( -1.442 -0.000 -5.269) 5.463 8.185 ( 1.626 0.000 1.329) 2.100 8.473 ( -1.354 -0.000 2.187) 2.572 8.619 ( 4.937 0.000 4.504) 6.683 8.867 ( 1.450 0.000 -2.876) 3.221 8.888 ( -6.216 -0.000 -7.380) 9.649 8.910 ( -1.211 -0.000 1.737) 2.118 8.927 ( -12.626 -0.000 -1.947) 12.775 8.966 ( -3.676 -0.000 1.144) 3.850 9.124 ( 5.072 0.000 5.580) 7.540 9.293 ( -14.876 -0.000 -6.302) 16.155 9.302 ( -3.429 -0.000 -2.825) 4.443 9.370 ( 2.921 0.000 5.041) 5.827 9.458 ( -5.200 -0.000 -3.485) 6.260 9.528 ( -11.008 -0.000 7.083) 13.090 9.529 ( -4.516 -0.000 -0.800) 4.586 9.549 ( -3.934 -0.000 -0.031) 3.934 9.595 ( -4.046 -0.000 0.228) 4.052 9.787 ( 0.219 0.000 -12.072) 12.074 9.843 ( 0.023 0.000 12.241) 12.241 10.197 ( -11.710 -0.000 -7.843) 14.094 10.329 ( -0.242 -0.000 3.246) 3.255 10.414 ( -9.104 -0.000 6.482) 11.176 10.484 ( -0.449 -0.000 0.162) 0.477 10.506 ( 1.406 0.000 -0.219) 1.423 10.630 ( -1.267 -0.000 -0.253) 1.292 10.652 ( -1.744 -0.000 0.038) 1.744 10.737 ( -4.910 -0.000 -2.312) 5.427 10.803 ( -4.713 -0.000 1.198) 4.863 10.945 ( -4.361 -0.000 -1.048) 4.485 11.198 ( 0.371 0.000 -2.871) 2.895 11.214 ( -0.999 -0.000 1.014) 1.423 11.302 ( -0.287 -0.000 0.116) 0.310 11.318 ( -1.164 -0.000 -0.367) 1.221 11.417 ( 1.272 0.000 0.425) 1.341 11.469 ( 0.981 0.000 1.197) 1.547 11.572 ( -0.137 -0.000 -2.335) 2.340 11.630 ( 1.390 0.000 1.332) 1.925 11.688 ( -0.180 -0.000 0.110) 0.211 11.898 ( 0.716 0.000 -0.334) 0.790 11.936 ( -4.859 -0.000 1.944) 5.234 12.079 ( -4.490 -0.000 -0.924) 4.584 12.636 ( -0.609 -0.000 0.034) 0.610 12.651 ( -0.613 -0.000 -0.033) 0.614 12.822 ( 0.525 0.000 -0.382) 0.649 12.823 ( 0.720 0.000 0.389) 0.819 12.940 ( 0.956 0.000 -0.287) 0.998 12.944 ( 0.295 0.000 0.268) 0.399 13.002 ( 1.674 0.000 0.415) 1.724 13.059 ( -0.382 -0.000 -0.840) 0.923 13.090 ( 1.241 0.000 0.195) 1.256 13.090 ( 0.343 0.000 0.090) 0.355 13.314 ( 2.327 0.000 3.259) 4.004 13.340 ( 2.390 0.000 -0.932) 2.565 13.350 ( -0.119 -0.000 -3.615) 3.617 13.364 ( 0.435 0.000 -1.419) 1.485 13.401 ( -0.527 -0.000 0.721) 0.893 13.425 ( -0.793 -0.000 2.262) 2.397 13.538 ( 1.278 0.000 -0.048) 1.279 13.703 ( 4.085 0.000 0.178) 4.089 13.761 ( -1.213 -0.000 -0.996) 1.570 13.773 ( 0.913 0.000 0.798) 1.213 13.978 ( 3.123 0.000 1.561) 3.492 14.000 ( 0.732 0.000 0.416) 0.842 14.045 ( -2.810 -0.000 -1.993) 3.445 14.054 ( -0.345 -0.000 -1.863) 1.894 14.130 ( 0.739 0.000 1.671) 1.827 14.169 ( 0.809 0.000 0.286) 0.858 14.424 ( -0.056 -0.000 -0.445) 0.449 14.436 ( -0.241 -0.000 0.315) 0.396 14.762 ( -0.592 -0.000 0.732) 0.941 14.910 ( 0.901 0.000 -0.954) 1.312 15.016 ( 0.442 0.000 -0.109) 0.455 15.058 ( -0.479 -0.000 0.177) 0.511 15.301 ( -1.146 -0.000 0.311) 1.188 15.396 ( 1.453 0.000 -5.883) 6.060 15.427 ( -2.448 -0.000 5.223) 5.768 15.642 ( 0.088 0.000 0.403) 0.413 15.727 ( -0.393 -0.000 -0.446) 0.594 15.823 ( -0.081 -0.000 0.115) 0.141 16.139 ( -0.480 -0.000 1.283) 1.370 16.392 ( 1.454 0.000 -0.922) 1.722 ======================= Grid point 62 (36/72) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( -0.000 -5.270 -0.000) 5.270 4.398 ( -0.000 -1.791 -0.000) 1.791 4.559 ( -0.000 -3.281 -0.000) 3.281 4.608 ( -0.000 -6.599 -0.000) 6.599 4.695 ( -0.000 -3.485 -0.000) 3.485 5.063 ( -0.000 -2.187 -0.000) 2.187 5.086 ( 0.000 0.784 0.000) 0.784 5.150 ( -0.000 -5.529 -0.000) 5.529 5.188 ( -0.000 -1.515 -0.000) 1.515 5.304 ( -0.000 -3.690 -0.000) 3.690 5.517 ( -0.000 -8.611 -0.000) 8.611 5.541 ( -0.000 -1.326 -0.000) 1.326 5.717 ( -0.000 -4.115 -0.000) 4.115 5.803 ( -0.000 -3.461 -0.000) 3.461 5.844 ( -0.000 -5.516 -0.000) 5.516 6.024 ( -0.000 -3.738 -0.000) 3.738 6.097 ( 0.000 3.726 0.000) 3.726 6.209 ( -0.000 -6.194 -0.000) 6.194 6.218 ( -0.000 -6.111 -0.000) 6.111 6.252 ( -0.000 -5.725 -0.000) 5.725 6.272 ( 0.000 0.703 0.000) 0.703 6.728 ( -0.000 -4.772 -0.000) 4.772 6.753 ( -0.000 -6.949 -0.000) 6.949 7.086 ( 0.000 1.008 0.000) 1.008 7.133 ( -0.000 -4.150 -0.000) 4.150 7.175 ( -0.000 -2.080 -0.000) 2.080 7.219 ( -0.000 -2.332 -0.000) 2.332 7.308 ( -0.000 -2.930 -0.000) 2.930 7.386 ( -0.000 -4.780 -0.000) 4.780 7.412 ( -0.000 -3.846 -0.000) 3.846 7.477 ( -0.000 -3.582 -0.000) 3.582 7.564 ( -0.000 -7.982 -0.000) 7.982 7.651 ( 0.000 9.140 0.000) 9.140 7.694 ( 0.000 8.436 0.000) 8.436 7.831 ( 0.000 0.273 0.000) 0.273 7.850 ( 0.000 1.691 0.000) 1.691 7.970 ( -0.000 -0.790 -0.000) 0.790 8.032 ( 0.000 3.735 0.000) 3.735 8.089 ( 0.000 8.665 0.000) 8.665 8.166 ( -0.000 -1.783 -0.000) 1.783 8.462 ( 0.000 0.510 0.000) 0.510 8.632 ( 0.000 3.272 0.000) 3.272 8.757 ( 0.000 7.409 0.000) 7.409 8.787 ( 0.000 4.498 0.000) 4.498 8.903 ( -0.000 -0.410 -0.000) 0.410 8.912 ( 0.000 3.823 0.000) 3.823 8.982 ( -0.000 -2.393 -0.000) 2.393 9.109 ( 0.000 4.610 0.000) 4.610 9.120 ( 0.000 7.701 0.000) 7.701 9.171 ( 0.000 9.939 0.000) 9.939 9.382 ( 0.000 5.566 0.000) 5.566 9.394 ( 0.000 4.845 0.000) 4.845 9.443 ( 0.000 0.425 0.000) 0.425 9.542 ( -0.000 -2.374 -0.000) 2.374 9.563 ( -0.000 -4.104 -0.000) 4.104 9.608 ( -0.000 -2.585 -0.000) 2.585 9.791 ( -0.000 -0.773 -0.000) 0.773 9.906 ( -0.000 -5.157 -0.000) 5.157 10.113 ( 0.000 1.910 0.000) 1.910 10.317 ( 0.000 0.944 0.000) 0.944 10.381 ( -0.000 -0.151 -0.000) 0.151 10.443 ( 0.000 5.141 0.000) 5.141 10.504 ( 0.000 1.229 0.000) 1.229 10.623 ( 0.000 0.689 0.000) 0.689 10.654 ( -0.000 -0.909 -0.000) 0.909 10.692 ( 0.000 1.916 0.000) 1.916 10.807 ( -0.000 -1.900 -0.000) 1.900 10.888 ( 0.000 4.434 0.000) 4.434 11.113 ( 0.000 7.685 0.000) 7.685 11.221 ( 0.000 7.363 0.000) 7.363 11.231 ( -0.000 -0.051 -0.000) 0.051 11.232 ( 0.000 8.080 0.000) 8.080 11.320 ( 0.000 9.785 0.000) 9.785 11.425 ( 0.000 5.528 0.000) 5.528 11.557 ( 0.000 2.585 0.000) 2.585 11.591 ( 0.000 5.658 0.000) 5.658 11.657 ( 0.000 2.233 0.000) 2.233 11.849 ( 0.000 3.596 0.000) 3.596 11.966 ( -0.000 -3.493 -0.000) 3.493 12.064 ( -0.000 -0.627 -0.000) 0.627 12.629 ( 0.000 0.176 0.000) 0.176 12.655 ( -0.000 -0.689 -0.000) 0.689 12.814 ( 0.000 1.105 0.000) 1.105 12.826 ( -0.000 -0.204 -0.000) 0.204 12.929 ( 0.000 1.035 0.000) 1.035 12.939 ( 0.000 0.522 0.000) 0.522 13.021 ( -0.000 -1.549 -0.000) 1.549 13.098 ( -0.000 -0.502 -0.000) 0.502 13.100 ( -0.000 -0.600 -0.000) 0.600 13.109 ( -0.000 -4.122 -0.000) 4.122 13.313 ( 0.000 3.722 0.000) 3.722 13.325 ( 0.000 1.344 0.000) 1.344 13.341 ( 0.000 1.345 0.000) 1.345 13.366 ( -0.000 -0.694 -0.000) 0.694 13.372 ( -0.000 -0.808 -0.000) 0.808 13.462 ( -0.000 -1.666 -0.000) 1.666 13.540 ( 0.000 0.422 0.000) 0.422 13.712 ( 0.000 1.305 0.000) 1.305 13.746 ( 0.000 0.320 0.000) 0.320 13.791 ( -0.000 -1.369 -0.000) 1.369 13.988 ( 0.000 1.035 0.000) 1.035 14.022 ( -0.000 -2.148 -0.000) 2.148 14.066 ( -0.000 -3.944 -0.000) 3.944 14.075 ( -0.000 -1.902 -0.000) 1.902 14.106 ( 0.000 1.717 0.000) 1.717 14.217 ( -0.000 -3.677 -0.000) 3.677 14.421 ( 0.000 1.483 0.000) 1.483 14.430 ( -0.000 -0.531 -0.000) 0.531 14.788 ( -0.000 -2.883 -0.000) 2.883 14.929 ( -0.000 -1.728 -0.000) 1.728 15.034 ( -0.000 -1.802 -0.000) 1.802 15.077 ( -0.000 -2.243 -0.000) 2.243 15.296 ( 0.000 0.000 0.000) 0.000 15.408 ( 0.000 0.606 0.000) 0.606 15.438 ( -0.000 -3.585 -0.000) 3.585 15.655 ( -0.000 -1.183 -0.000) 1.183 15.737 ( -0.000 -1.347 -0.000) 1.347 15.820 ( 0.000 0.109 0.000) 0.109 16.137 ( 0.000 0.005 0.000) 0.005 16.375 ( 0.000 2.435 0.000) 2.435 ======================= Grid point 125 (37/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 1.692 0.000 -45.657) 45.688 1.093 ( -1.692 -0.000 45.657) 45.688 1.138 ( -3.246 -0.000 -46.981) 47.093 1.138 ( 3.246 0.000 46.981) 47.093 2.030 ( -8.401 -0.000 -83.824) 84.244 2.030 ( 8.401 0.000 83.824) 84.244 3.065 ( 0.372 0.000 -26.969) 26.972 3.065 ( -0.372 -0.000 26.969) 26.972 3.130 ( -4.028 -0.000 -23.861) 24.199 3.130 ( 4.028 0.000 23.861) 24.199 4.289 ( 1.060 0.000 -15.155) 15.192 4.289 ( -1.060 -0.000 15.155) 15.192 4.612 ( 0.365 0.000 -17.600) 17.604 4.612 ( -0.365 -0.000 17.600) 17.604 4.758 ( 0.985 0.000 -13.011) 13.049 4.758 ( -0.985 -0.000 13.011) 13.049 5.546 ( -2.028 -0.000 -19.598) 19.703 5.546 ( 2.028 0.000 19.598) 19.703 5.785 ( -6.776 -0.000 -49.838) 50.297 5.785 ( 6.776 0.000 49.838) 50.297 6.243 ( 9.681 0.000 -8.772) 13.065 6.243 ( -9.681 -0.000 8.772) 13.065 6.815 ( -4.292 -0.000 -1.310) 4.488 6.815 ( 4.292 0.000 1.310) 4.488 6.980 ( 4.265 0.000 -7.389) 8.531 6.980 ( -4.265 -0.000 7.389) 8.531 7.105 ( 9.255 0.000 -3.804) 10.006 7.105 ( -9.255 -0.000 3.804) 10.006 7.871 ( 3.806 0.000 -2.519) 4.564 7.871 ( -3.806 -0.000 2.519) 4.564 7.954 ( 6.058 0.000 -3.051) 6.783 7.954 ( -6.058 -0.000 3.051) 6.783 8.158 ( -8.088 -0.000 -4.035) 9.039 8.158 ( 8.088 0.000 4.035) 9.039 8.377 ( 6.705 0.000 -11.514) 13.324 8.377 ( -6.705 -0.000 11.514) 13.324 8.478 ( -3.142 -0.000 -1.741) 3.592 8.478 ( 3.142 0.000 1.741) 3.592 8.688 ( -0.243 -0.000 -3.954) 3.961 8.688 ( 0.243 0.000 3.954) 3.961 8.769 ( 2.574 0.000 -11.183) 11.475 8.769 ( -2.574 -0.000 11.183) 11.475 8.930 ( -4.174 -0.000 -10.393) 11.200 8.930 ( 4.174 0.000 10.393) 11.200 9.161 ( 4.541 0.000 -7.199) 8.511 9.161 ( -4.541 -0.000 7.199) 8.511 9.325 ( -5.158 -0.000 -0.353) 5.170 9.325 ( 5.158 0.000 0.353) 5.170 9.390 ( 2.678 0.000 -2.911) 3.956 9.390 ( -2.678 -0.000 2.911) 3.956 9.642 ( 3.874 0.000 -4.431) 5.885 9.642 ( -3.874 -0.000 4.431) 5.885 9.803 ( -0.829 -0.000 0.040) 0.830 9.803 ( 0.829 0.000 -0.040) 0.830 10.176 ( -4.512 -0.000 -5.307) 6.966 10.176 ( 4.512 0.000 5.307) 6.966 10.249 ( -0.075 -0.000 -4.772) 4.772 10.249 ( 0.075 0.000 4.772) 4.772 10.568 ( -0.028 -0.000 -1.241) 1.241 10.568 ( 0.028 0.000 1.241) 1.241 10.751 ( -0.746 -0.000 -1.805) 1.953 10.751 ( 0.746 0.000 1.805) 1.953 10.854 ( -2.658 -0.000 0.017) 2.658 10.854 ( 2.658 0.000 -0.017) 2.658 10.917 ( 1.996 0.000 -2.803) 3.441 10.917 ( -1.996 -0.000 2.803) 3.441 10.988 ( 0.047 0.000 -9.871) 9.871 10.988 ( -0.047 -0.000 9.871) 9.871 11.262 ( -1.883 -0.000 -1.400) 2.346 11.262 ( 1.883 0.000 1.400) 2.346 11.459 ( -0.696 -0.000 -0.505) 0.860 11.459 ( 0.696 0.000 0.505) 0.860 11.951 ( 13.036 0.000 -6.875) 14.738 11.951 ( -13.036 -0.000 6.875) 14.738 12.051 ( -17.190 -0.000 -0.617) 17.201 12.051 ( 17.190 0.000 0.617) 17.201 12.247 ( -4.062 -0.000 -1.085) 4.205 12.247 ( 4.062 0.000 1.085) 4.205 12.449 ( 0.212 0.000 -3.226) 3.233 12.449 ( -0.212 -0.000 3.226) 3.233 12.692 ( -0.616 -0.000 -1.347) 1.482 12.692 ( 0.616 0.000 1.347) 1.482 12.745 ( -0.189 -0.000 -1.352) 1.365 12.745 ( 0.189 0.000 1.352) 1.365 12.836 ( -2.208 -0.000 0.099) 2.210 12.836 ( 2.208 0.000 -0.099) 2.210 12.978 ( -0.005 -0.000 -4.607) 4.607 12.978 ( 0.005 0.000 4.607) 4.607 13.026 ( 0.633 0.000 -1.141) 1.305 13.026 ( -0.633 -0.000 1.141) 1.305 13.111 ( 2.105 0.000 -1.588) 2.637 13.111 ( -2.105 -0.000 1.588) 2.637 13.250 ( -6.035 -0.000 -2.286) 6.453 13.250 ( 6.035 0.000 2.286) 6.453 13.390 ( -2.062 -0.000 -2.413) 3.174 13.390 ( 2.062 0.000 2.413) 3.174 13.566 ( 4.442 0.000 -2.584) 5.139 13.566 ( -4.442 -0.000 2.584) 5.139 13.621 ( -4.532 -0.000 -1.052) 4.653 13.621 ( 4.532 0.000 1.052) 4.653 13.650 ( -1.771 -0.000 -2.431) 3.008 13.650 ( 1.771 0.000 2.431) 3.008 13.905 ( -4.638 -0.000 -0.141) 4.641 13.905 ( 4.638 0.000 0.141) 4.641 13.998 ( -5.858 -0.000 -1.629) 6.080 13.998 ( 5.858 0.000 1.629) 6.080 14.426 ( -1.687 -0.000 -3.327) 3.730 14.426 ( 1.687 0.000 3.327) 3.730 14.840 ( 0.832 0.000 -3.304) 3.407 14.840 ( -0.832 -0.000 3.304) 3.407 15.001 ( -0.447 -0.000 -1.168) 1.251 15.001 ( 0.447 0.000 1.168) 1.251 15.419 ( 1.483 0.000 -1.266) 1.950 15.419 ( -1.483 -0.000 1.266) 1.950 15.457 ( -4.331 -0.000 0.965) 4.437 15.457 ( 4.331 0.000 -0.965) 4.437 15.863 ( -4.244 -0.000 0.874) 4.333 15.863 ( 4.244 0.000 -0.874) 4.333 16.214 ( 1.014 0.000 -2.131) 2.360 16.214 ( -1.014 -0.000 2.131) 2.360 ======================= Grid point 127 (38/72) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 16.491 -25.730 5.897) 31.125 1.558 ( 27.625 -31.919 -30.548) 52.107 1.631 ( 22.513 -37.416 9.868) 44.767 1.716 ( 24.665 -32.550 15.466) 43.670 2.258 ( 9.752 -31.219 -65.636) 73.334 2.486 ( 23.191 -28.602 67.995) 77.326 3.236 ( 11.447 -13.572 -6.852) 19.031 3.274 ( 14.554 -14.241 9.478) 22.460 3.318 ( 6.757 -20.270 -19.566) 28.972 3.411 ( 14.720 -19.213 15.353) 28.663 4.443 ( 5.855 -14.026 -7.376) 16.894 4.451 ( 5.687 -14.282 6.628) 16.741 4.742 ( 9.857 -10.168 -11.616) 18.316 4.754 ( 9.423 -9.755 11.866) 18.021 4.891 ( 4.713 -11.721 6.509) 14.211 4.913 ( 7.662 -13.129 -4.777) 15.934 5.600 ( 3.100 -6.538 -33.529) 34.301 5.667 ( 9.538 -5.967 16.530) 19.995 5.771 ( 0.352 -5.374 -31.355) 31.814 5.918 ( 7.980 -2.797 40.390) 41.266 6.146 ( -7.864 1.355 6.810) 10.491 6.279 ( 7.517 3.300 -7.476) 11.103 6.713 ( -12.743 2.786 4.265) 13.724 6.789 ( -8.961 -0.161 -0.426) 8.973 6.871 ( -6.945 4.026 6.109) 10.088 6.953 ( 2.786 3.496 -2.946) 5.354 7.053 ( 1.043 3.289 1.100) 3.622 7.215 ( 13.516 -0.079 -3.243) 13.900 7.715 ( -13.312 6.088 4.284) 15.252 7.779 ( -8.053 6.238 -1.575) 10.308 7.876 ( -6.556 3.905 -1.037) 7.701 7.968 ( 5.188 5.488 -3.205) 8.204 8.044 ( -12.268 2.555 -1.621) 12.636 8.202 ( 4.154 4.336 -4.695) 7.622 8.293 ( -4.749 3.469 8.437) 10.284 8.374 ( 2.314 4.383 1.247) 5.111 8.446 ( -10.459 -0.243 -2.592) 10.778 8.500 ( -5.066 1.300 -3.048) 6.054 8.568 ( -6.691 5.881 -3.900) 9.725 8.596 ( -7.204 1.746 5.598) 9.289 8.742 ( -2.509 0.780 3.478) 4.359 8.786 ( 0.367 0.220 -2.797) 2.830 8.848 ( -6.826 3.554 -5.493) 9.455 8.968 ( 3.815 1.920 5.064) 6.624 9.105 ( -1.367 6.412 -5.614) 8.631 9.112 ( -0.505 2.840 -0.006) 2.885 9.201 ( 3.870 6.865 3.795) 8.747 9.222 ( 3.194 11.436 1.161) 11.931 9.343 ( -6.046 2.207 1.223) 6.552 9.470 ( 4.211 2.701 0.175) 5.006 9.624 ( 0.971 4.394 -4.295) 6.220 9.646 ( 3.966 -0.632 2.620) 4.795 9.769 ( -0.993 2.148 -0.507) 2.420 9.787 ( 0.995 2.378 1.030) 2.776 10.131 ( -2.907 0.779 0.679) 3.085 10.195 ( 3.222 2.211 2.082) 4.428 10.250 ( -1.333 -0.116 2.510) 2.844 10.285 ( 2.782 -2.014 -3.087) 4.618 10.492 ( -1.576 7.092 6.200) 9.551 10.514 ( 1.652 7.670 -4.661) 9.126 10.603 ( -5.912 6.659 -3.329) 9.507 10.691 ( 2.558 6.421 3.105) 7.577 10.823 ( -0.429 2.534 -2.703) 3.729 10.824 ( -1.522 1.208 2.861) 3.459 10.886 ( 2.906 2.275 -4.064) 5.490 10.926 ( 3.748 4.193 1.550) 5.834 10.961 ( 0.024 0.770 -2.881) 2.982 10.973 ( 0.618 0.927 3.824) 3.983 11.212 ( -1.654 4.093 -0.911) 4.508 11.233 ( 0.489 4.321 1.259) 4.527 11.302 ( -1.812 6.091 6.796) 9.304 11.326 ( 1.702 7.859 -6.258) 10.189 11.875 ( -11.680 0.255 0.371) 11.688 11.923 ( -6.154 3.246 2.570) 7.417 12.028 ( -8.678 -1.775 -8.543) 12.306 12.151 ( -5.946 3.942 -0.195) 7.137 12.183 ( 4.035 7.178 3.478) 8.939 12.305 ( 6.132 4.423 4.993) 9.060 12.426 ( -1.728 2.220 1.332) 3.113 12.457 ( 1.484 1.018 -0.072) 1.802 12.730 ( -0.961 -3.638 0.340) 3.778 12.747 ( 0.142 -4.394 0.654) 4.445 12.756 ( -0.767 -1.691 -1.458) 2.361 12.775 ( 1.054 -3.188 0.817) 3.455 12.824 ( -4.120 -2.351 -0.292) 4.753 12.868 ( 0.290 -1.958 0.109) 1.982 12.976 ( -0.517 -0.433 -4.291) 4.344 12.997 ( -0.384 -2.289 2.737) 3.588 13.021 ( 0.794 0.338 -0.416) 0.958 13.045 ( 1.964 -0.722 1.162) 2.393 13.106 ( -1.640 -0.915 1.229) 2.244 13.136 ( 1.382 -0.768 -0.784) 1.764 13.193 ( -4.543 -0.819 -4.342) 6.338 13.284 ( 2.882 -0.007 2.212) 3.633 13.388 ( -1.622 -1.712 -2.488) 3.429 13.429 ( 2.170 -1.805 2.927) 4.066 13.503 ( -4.997 1.402 0.644) 5.230 13.594 ( 4.752 0.545 -0.885) 4.864 13.602 ( -0.738 -1.904 -0.109) 2.045 13.633 ( 3.368 0.976 0.239) 3.515 13.665 ( -0.611 -1.935 -0.595) 2.115 13.729 ( 5.286 -2.865 0.840) 6.071 13.908 ( 2.964 -0.568 -0.396) 3.044 13.931 ( 3.259 1.547 -0.812) 3.698 13.984 ( -3.041 -2.852 -3.291) 5.311 14.073 ( 4.306 -2.812 1.260) 5.295 14.390 ( -1.501 2.426 0.024) 2.853 14.432 ( 2.735 0.908 0.454) 2.918 14.832 ( -1.374 0.218 2.440) 2.809 14.856 ( 1.737 -1.023 -3.080) 3.681 15.004 ( -0.514 -0.963 0.412) 1.167 15.013 ( 0.606 -0.746 0.122) 0.969 15.401 ( -1.475 -1.032 -0.429) 1.850 15.433 ( 1.065 -1.146 -0.669) 1.701 15.475 ( -0.747 -2.870 -0.293) 2.980 15.522 ( 3.837 -1.270 -0.494) 4.072 15.819 ( -1.594 0.418 -1.556) 2.267 15.848 ( 0.996 2.696 0.507) 2.918 16.215 ( -1.613 -0.917 1.240) 2.232 16.239 ( 1.313 -1.784 -1.421) 2.632 ======================= Grid point 129 (39/72) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 12.536 -28.701 -3.243) 31.487 2.414 ( 22.830 -30.401 -0.847) 38.029 2.525 ( 31.571 -39.447 -17.763) 53.556 2.642 ( 30.131 -41.904 19.772) 55.270 3.120 ( 21.190 -45.480 -25.643) 56.348 3.441 ( 28.296 -42.404 36.231) 62.541 3.691 ( 17.352 -22.172 6.187) 28.826 3.810 ( 23.854 -26.187 -13.446) 37.889 3.898 ( 14.944 -32.554 -7.200) 36.537 4.029 ( 18.820 -30.223 13.047) 37.919 4.849 ( 9.552 -22.733 -14.625) 28.669 4.870 ( 8.517 -23.200 11.514) 27.264 5.099 ( 14.842 -16.343 12.304) 25.274 5.120 ( 18.153 -16.672 -12.990) 27.861 5.235 ( 7.265 -18.562 7.257) 21.213 5.323 ( 11.872 -21.698 -3.967) 25.050 5.756 ( 0.091 -8.708 -29.869) 31.113 5.835 ( 2.298 -2.147 4.707) 5.661 5.953 ( 12.331 -9.981 0.829) 15.886 6.070 ( 11.375 -6.628 2.366) 13.376 6.133 ( 1.126 -3.314 -4.803) 5.943 6.275 ( 3.450 2.874 3.638) 5.779 6.548 ( -9.905 3.253 13.669) 17.191 6.687 ( -10.024 0.296 2.416) 10.316 6.797 ( -5.723 -1.832 4.244) 7.357 6.921 ( 0.923 1.931 -0.781) 2.278 6.994 ( 6.826 7.036 -0.279) 9.807 7.305 ( 8.622 1.726 -2.140) 9.050 7.490 ( -9.645 6.244 3.825) 12.110 7.546 ( -9.302 9.644 -0.216) 13.401 7.696 ( -9.791 7.362 -1.766) 12.376 7.805 ( -2.418 14.205 0.589) 14.421 7.872 ( -15.389 2.878 -0.866) 15.680 8.018 ( -8.743 9.661 -3.841) 13.584 8.163 ( -4.564 6.112 7.414) 10.637 8.243 ( -10.131 8.025 1.403) 13.000 8.282 ( -12.279 7.304 -7.545) 16.157 8.386 ( -5.180 3.625 1.598) 6.521 8.408 ( -6.011 5.543 -1.947) 8.406 8.528 ( -7.714 0.916 0.395) 7.778 8.671 ( -1.488 5.953 -4.656) 7.703 8.712 ( -5.644 3.562 4.978) 8.326 8.799 ( -0.694 2.090 -2.368) 3.234 8.862 ( -0.958 9.012 1.767) 9.233 8.914 ( -2.165 12.900 -5.521) 14.198 9.014 ( 3.795 8.544 1.158) 9.420 9.028 ( 2.456 11.482 -2.286) 11.962 9.202 ( 4.483 1.655 2.184) 5.254 9.248 ( -5.401 2.160 1.968) 6.141 9.389 ( -0.021 5.983 0.876) 6.047 9.519 ( -1.059 6.122 -2.316) 6.630 9.613 ( 0.038 5.453 1.818) 5.748 9.727 ( 1.024 4.241 -3.278) 5.457 9.751 ( -0.041 2.966 5.360) 6.126 10.095 ( -0.414 7.408 2.682) 7.889 10.125 ( 0.213 4.020 -1.335) 4.241 10.224 ( -1.990 2.164 -1.066) 3.128 10.290 ( -2.107 4.123 -1.955) 5.026 10.345 ( 2.441 9.907 -0.620) 10.222 10.390 ( 1.979 2.138 5.512) 6.234 10.499 ( -0.601 1.777 -2.116) 2.828 10.588 ( 1.901 7.051 1.280) 7.414 10.774 ( -0.840 1.795 -1.483) 2.475 10.785 ( -0.637 1.709 -3.303) 3.773 10.858 ( 2.073 5.453 0.001) 5.834 10.907 ( 4.649 0.413 0.534) 4.697 10.929 ( -2.275 1.846 1.260) 3.189 10.982 ( 1.022 -0.280 0.226) 1.084 11.067 ( -2.828 8.271 -1.012) 8.799 11.151 ( 1.287 6.046 2.519) 6.675 11.202 ( -0.486 5.794 -1.704) 6.059 11.245 ( 0.222 2.594 0.605) 2.673 11.698 ( -9.305 8.755 3.980) 13.382 11.778 ( -9.257 5.347 1.317) 10.771 11.875 ( -4.454 11.941 -7.261) 14.668 11.979 ( -3.612 10.046 -0.681) 10.697 12.023 ( 1.928 11.451 1.360) 11.692 12.127 ( 2.691 15.450 0.552) 15.692 12.339 ( -7.173 3.581 1.036) 8.084 12.448 ( -1.011 0.137 -0.298) 1.063 12.768 ( -0.829 -1.941 0.648) 2.208 12.783 ( -1.775 -2.194 -1.070) 3.018 12.814 ( -2.860 -1.682 0.660) 3.383 12.825 ( -0.745 -3.696 0.590) 3.816 12.879 ( -0.357 -4.133 0.413) 4.169 12.895 ( -1.267 -1.174 0.264) 1.748 12.976 ( -1.310 -0.535 -2.893) 3.220 13.003 ( 0.003 -0.181 -0.460) 0.494 13.065 ( 0.027 -2.468 0.697) 2.565 13.088 ( 3.188 -1.328 1.657) 3.831 13.113 ( -1.165 -1.515 -0.209) 1.923 13.155 ( 0.393 -1.031 -0.197) 1.120 13.204 ( -1.097 -2.798 -2.421) 3.859 13.307 ( 1.722 0.201 3.971) 4.332 13.413 ( -1.377 -2.832 -4.147) 5.207 13.443 ( -1.715 0.004 0.938) 1.955 13.499 ( 0.409 -2.639 1.676) 3.153 13.637 ( 6.897 0.690 -1.256) 7.044 13.649 ( 3.636 -1.635 0.966) 4.102 13.666 ( 0.367 -2.899 0.544) 2.973 13.709 ( 0.300 -3.363 -0.220) 3.384 13.821 ( 3.622 -2.769 -0.215) 4.564 13.921 ( 0.523 0.621 -0.043) 0.813 13.946 ( 1.702 -0.772 1.021) 2.129 14.030 ( -0.469 -3.894 -4.174) 5.728 14.172 ( 2.922 -4.318 3.164) 6.099 14.327 ( -1.521 2.507 0.104) 2.934 14.443 ( 2.928 0.883 -0.348) 3.078 14.814 ( -1.317 0.414 1.427) 1.986 14.903 ( 3.157 -1.870 -2.863) 4.654 15.030 ( -0.342 -1.570 1.371) 2.112 15.045 ( 0.216 -3.354 -0.119) 3.363 15.416 ( -1.991 -1.731 0.120) 2.641 15.455 ( -1.296 -0.561 -0.371) 1.459 15.530 ( 1.114 -3.154 -0.325) 3.361 15.577 ( 2.866 -2.188 0.167) 3.610 15.812 ( -1.186 -0.829 -0.234) 1.465 15.842 ( 0.045 -1.622 0.276) 1.646 16.210 ( -2.949 -0.448 0.492) 3.023 16.294 ( 1.364 -2.923 -0.560) 3.274 ======================= Grid point 130 (40/72) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 11.944 -30.061 -0.613) 32.353 3.126 ( 18.413 -29.806 -1.359) 35.061 3.522 ( 34.255 -38.083 -12.570) 52.742 3.660 ( 32.231 -38.170 14.859) 52.121 4.049 ( 14.816 -36.733 -17.491) 43.299 4.210 ( 12.919 -28.977 21.289) 38.207 4.430 ( 22.456 -31.891 6.898) 39.609 4.575 ( 24.133 -28.690 -5.264) 37.858 4.685 ( 18.347 -38.994 -13.473) 45.151 4.838 ( 21.361 -39.916 16.083) 48.044 5.321 ( 8.440 -18.450 -8.589) 22.032 5.382 ( 8.671 -22.664 1.044) 24.288 5.532 ( 5.039 -8.151 -1.197) 9.657 5.598 ( 18.631 -19.476 12.549) 29.731 5.647 ( 16.351 -17.996 -7.529) 25.454 5.747 ( 0.287 -9.657 3.974) 10.447 5.830 ( 7.820 -16.547 0.642) 18.313 6.008 ( 0.463 -7.299 -5.431) 9.109 6.161 ( 0.757 -10.324 -6.915) 12.449 6.178 ( 0.752 5.414 -7.201) 9.041 6.306 ( 8.879 -5.517 -3.996) 11.191 6.353 ( 11.281 -8.016 -7.973) 15.972 6.500 ( 2.264 -7.078 9.226) 11.847 6.699 ( -0.071 -4.893 5.347) 7.248 6.850 ( -3.035 -7.315 7.167) 10.681 6.901 ( 2.615 1.295 2.047) 3.565 6.933 ( 9.626 6.216 -3.289) 11.922 7.260 ( -4.872 2.056 0.655) 5.329 7.334 ( -4.018 4.873 2.315) 6.727 7.393 ( 2.866 5.740 1.725) 6.643 7.481 ( -5.104 6.999 1.563) 8.802 7.520 ( -5.068 7.937 -0.602) 9.436 7.686 ( -16.604 2.446 0.695) 16.798 7.731 ( -10.764 12.779 -1.399) 16.767 7.982 ( -12.260 12.418 -5.090) 18.178 8.004 ( -8.409 7.620 -0.968) 11.389 8.031 ( -2.982 6.543 5.527) 9.069 8.176 ( -9.885 9.431 2.337) 13.861 8.272 ( -10.144 3.041 -0.687) 10.612 8.410 ( -4.722 9.597 -5.794) 12.164 8.508 ( -7.831 8.937 6.388) 13.491 8.532 ( -3.581 5.797 -2.394) 7.222 8.627 ( -4.397 13.464 -3.568) 14.606 8.646 ( -1.705 11.022 3.284) 11.626 8.764 ( -0.937 8.018 -2.349) 8.407 8.803 ( -2.996 9.419 -0.767) 9.914 8.968 ( 4.200 1.636 3.217) 5.538 9.039 ( -2.651 15.157 -7.306) 17.033 9.181 ( -3.744 2.106 1.797) 4.656 9.272 ( -3.287 8.504 0.533) 9.132 9.432 ( -0.994 4.125 -1.011) 4.361 9.542 ( 1.313 3.614 1.376) 4.084 9.602 ( -1.280 7.112 -7.656) 10.527 9.679 ( -4.856 2.866 11.209) 12.547 9.805 ( -2.943 16.213 1.442) 16.541 10.057 ( 2.095 9.318 -3.201) 10.073 10.085 ( -3.498 12.207 -2.729) 12.988 10.167 ( 0.730 4.062 0.170) 4.130 10.259 ( -0.068 1.186 2.790) 3.032 10.394 ( -2.742 2.338 5.235) 6.356 10.499 ( 2.036 -0.649 -1.972) 2.908 10.518 ( 4.139 2.413 -0.421) 4.810 10.718 ( -2.103 3.106 -1.028) 3.889 10.735 ( -0.383 4.074 -3.965) 5.697 10.769 ( -1.868 7.465 1.736) 7.888 10.839 ( -2.825 4.785 -2.873) 6.255 10.901 ( -1.911 2.468 3.430) 4.637 10.924 ( 1.032 3.895 -2.295) 4.637 10.995 ( 1.390 1.555 -0.088) 2.087 11.012 ( -0.033 10.036 -2.105) 10.255 11.103 ( 3.729 6.460 5.432) 9.227 11.212 ( 2.047 2.128 -0.436) 2.984 11.441 ( -4.705 11.490 1.956) 12.569 11.531 ( -3.855 17.878 0.379) 18.293 11.596 ( -9.052 5.838 -3.929) 11.465 11.756 ( -2.015 9.945 2.020) 10.346 11.871 ( 2.529 14.493 0.686) 14.728 11.879 ( 3.542 7.988 -2.122) 8.992 12.181 ( -11.197 4.558 0.429) 12.097 12.419 ( -4.044 0.879 0.044) 4.139 12.780 ( -3.836 0.413 -0.493) 3.890 12.792 ( -0.815 -0.891 1.002) 1.569 12.797 ( -2.226 -0.368 -0.395) 2.290 12.879 ( -2.508 -2.725 1.603) 4.036 12.888 ( -2.696 -1.372 -0.722) 3.110 12.921 ( -0.037 -1.464 -0.465) 1.537 12.967 ( -1.201 0.072 -0.754) 1.420 13.035 ( 0.725 -2.538 -0.446) 2.677 13.078 ( -1.172 -0.103 -0.577) 1.311 13.136 ( -0.353 -1.628 2.480) 2.988 13.141 ( 0.244 -0.949 -1.628) 1.900 13.197 ( 2.116 -3.336 -0.180) 3.955 13.258 ( 0.530 -3.377 -0.248) 3.428 13.312 ( 1.138 0.508 1.830) 2.214 13.452 ( -1.216 -1.902 -0.274) 2.275 13.467 ( 2.341 -2.730 -2.568) 4.419 13.557 ( 0.535 -3.448 1.630) 3.851 13.678 ( 3.172 -0.254 0.616) 3.241 13.722 ( 4.653 -1.647 -1.242) 5.090 13.730 ( -0.125 -3.999 1.412) 4.243 13.786 ( 4.855 -2.175 -0.488) 5.342 13.888 ( 1.002 -2.460 -0.988) 2.835 13.911 ( -0.657 0.811 0.783) 1.304 13.962 ( -0.535 -0.428 0.236) 0.724 14.097 ( -0.105 -3.822 -1.794) 4.223 14.262 ( 2.659 -1.082 4.291) 5.163 14.304 ( -0.092 -2.357 -2.137) 3.182 14.442 ( 2.419 1.983 -0.472) 3.164 14.804 ( 0.396 0.080 0.630) 0.748 14.971 ( 4.396 -2.027 -3.111) 5.755 15.056 ( -1.515 -2.289 2.589) 3.773 15.133 ( 0.276 -5.657 -0.355) 5.675 15.422 ( -3.333 -1.506 0.738) 3.731 15.438 ( -3.324 -0.340 -0.528) 3.382 15.601 ( 1.999 -2.959 -0.596) 3.620 15.646 ( 3.220 -2.237 0.428) 3.944 15.832 ( -1.143 -2.340 -0.043) 2.605 15.887 ( 0.022 -3.030 0.010) 3.030 16.177 ( -3.926 0.708 0.219) 3.996 16.359 ( 1.073 -2.929 -0.166) 3.124 ======================= Grid point 131 (41/72) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 11.607 -28.458 1.966) 30.797 3.794 ( 15.633 -26.912 -4.295) 31.418 4.420 ( 30.212 -28.874 -11.584) 43.367 4.489 ( 16.913 -19.529 14.702) 29.725 4.661 ( 19.226 -27.715 1.874) 33.783 4.888 ( 4.481 -25.025 1.733) 25.482 5.083 ( 6.563 -26.555 3.940) 27.636 5.212 ( 20.712 -24.781 -15.396) 35.779 5.380 ( 4.390 -6.906 1.009) 8.246 5.478 ( 7.433 -13.408 6.718) 16.738 5.593 ( -1.711 -3.497 1.816) 4.296 5.738 ( 10.994 -20.920 1.370) 23.673 5.808 ( 9.665 -15.656 -9.394) 20.658 5.865 ( 5.080 -15.674 11.341) 20.003 5.986 ( -2.097 -5.745 1.475) 6.291 6.086 ( 14.970 -12.292 -7.969) 20.945 6.117 ( 0.516 -4.243 6.737) 7.978 6.173 ( -0.881 -7.490 -0.886) 7.593 6.265 ( 10.243 -15.383 -2.265) 18.620 6.339 ( 10.160 -17.415 -6.620) 21.221 6.462 ( -0.715 -6.168 1.577) 6.407 6.562 ( 10.564 -1.617 1.248) 10.760 6.730 ( -0.837 2.679 -0.896) 2.946 6.801 ( 9.595 -12.366 0.937) 15.680 6.913 ( 4.313 -4.580 -5.442) 8.319 6.968 ( 7.723 -3.745 -0.363) 8.591 7.063 ( 5.231 -8.990 1.609) 10.525 7.224 ( 0.159 7.967 4.426) 9.115 7.287 ( -1.712 -2.751 0.442) 3.270 7.332 ( -8.276 4.587 0.937) 9.509 7.388 ( 4.168 0.223 0.197) 4.179 7.434 ( -1.634 -3.348 1.672) 4.084 7.483 ( 5.835 2.517 -0.500) 6.375 7.598 ( -6.207 0.600 -3.146) 6.984 7.622 ( -8.113 7.005 0.808) 10.749 7.772 ( -8.463 10.518 -2.296) 13.694 7.867 ( -5.572 8.622 3.156) 10.740 8.004 ( -8.113 3.187 -3.651) 9.450 8.110 ( -4.748 9.069 -4.630) 11.235 8.168 ( -2.686 3.293 4.355) 6.085 8.287 ( -6.432 15.707 2.717) 17.189 8.365 ( -2.575 6.376 0.819) 6.925 8.394 ( -6.005 7.104 4.436) 10.306 8.462 ( -4.200 3.098 2.269) 5.691 8.589 ( -6.993 7.692 -1.606) 10.520 8.608 ( -2.373 7.944 0.777) 8.328 8.696 ( -6.927 15.649 -7.756) 18.789 8.964 ( -3.095 9.037 2.052) 9.770 9.046 ( 0.934 6.836 -0.987) 6.970 9.091 ( -1.692 5.753 5.964) 8.458 9.286 ( -7.544 12.913 -0.849) 14.979 9.323 ( -3.920 5.454 -2.077) 7.030 9.494 ( -1.958 3.538 -5.391) 6.739 9.604 ( -0.889 6.616 -8.998) 11.204 9.645 ( -3.657 7.074 3.112) 8.550 9.767 ( -3.927 8.815 10.174) 14.022 9.966 ( 3.120 6.234 -2.759) 7.497 10.045 ( -1.223 9.461 -0.043) 9.539 10.238 ( -1.929 3.246 4.090) 5.567 10.286 ( -5.531 5.595 0.529) 7.885 10.382 ( -7.010 15.704 -0.666) 17.211 10.482 ( 0.034 7.362 -1.145) 7.450 10.571 ( 2.664 2.283 1.999) 4.038 10.651 ( -0.785 1.809 -5.783) 6.110 10.660 ( -2.998 2.355 1.892) 4.256 10.767 ( 0.448 5.081 1.586) 5.342 10.796 ( 1.799 8.206 -3.516) 9.107 10.853 ( -1.000 5.939 0.351) 6.033 10.869 ( -0.806 0.678 -0.133) 1.061 10.968 ( 2.212 2.490 1.225) 3.549 11.063 ( 5.297 2.683 1.395) 6.099 11.173 ( -0.575 9.475 -4.012) 10.305 11.208 ( -1.191 1.946 2.176) 3.153 11.349 ( -0.626 2.135 5.033) 5.503 11.448 ( -6.731 2.399 -4.687) 8.545 11.586 ( -0.355 8.619 0.947) 8.678 11.697 ( 6.987 8.169 1.569) 10.863 11.799 ( 3.928 4.176 -1.331) 5.886 12.001 ( -12.361 3.429 -0.039) 12.828 12.343 ( -6.672 2.146 0.069) 7.009 12.726 ( -3.274 1.275 0.316) 3.528 12.764 ( -3.097 0.311 -0.469) 3.148 12.812 ( -0.012 -0.844 -0.137) 0.855 12.880 ( -1.933 -1.168 -0.572) 2.330 12.906 ( -1.148 -0.940 1.093) 1.843 12.950 ( -0.413 -0.031 0.045) 0.417 12.960 ( 0.277 -1.457 0.092) 1.486 13.060 ( -1.475 0.427 -0.979) 1.821 13.087 ( 0.299 -2.377 -0.000) 2.396 13.140 ( -0.798 -0.008 -0.568) 0.980 13.149 ( -1.251 -0.677 1.081) 1.787 13.286 ( 1.805 -3.571 -0.611) 4.048 13.311 ( 1.881 -0.313 0.495) 1.970 13.335 ( 1.885 -2.457 -0.126) 3.099 13.466 ( -1.249 -0.988 0.287) 1.618 13.551 ( 4.216 -3.089 -1.103) 5.341 13.625 ( 0.406 -2.710 1.064) 2.939 13.692 ( -1.665 -0.573 0.015) 1.761 13.772 ( -0.450 -2.138 0.044) 2.185 13.806 ( 5.240 -0.976 1.756) 5.612 13.846 ( 3.339 0.476 -1.965) 3.903 13.876 ( 1.207 1.106 0.360) 1.676 13.938 ( -1.478 -2.508 -0.654) 2.984 13.965 ( -0.648 -0.700 0.319) 1.006 14.162 ( -0.823 -3.974 -0.269) 4.067 14.283 ( 2.484 0.281 1.096) 2.730 14.371 ( 0.606 -3.077 -0.472) 3.172 14.412 ( 1.300 2.976 -0.159) 3.252 14.821 ( 2.258 -0.395 0.270) 2.309 15.026 ( 2.802 -0.370 -3.024) 4.140 15.102 ( -0.622 -3.636 3.000) 4.755 15.237 ( 0.359 -5.310 -0.142) 5.324 15.414 ( -3.119 -0.349 -0.145) 3.142 15.417 ( -3.381 -1.003 0.015) 3.527 15.663 ( 1.626 -2.021 -0.526) 2.647 15.707 ( 2.751 -1.377 0.418) 3.105 15.869 ( -0.675 -2.509 -0.006) 2.598 15.941 ( -0.041 -2.720 -0.018) 2.720 16.120 ( -3.728 1.730 0.089) 4.111 16.413 ( 0.631 -2.063 -0.032) 2.158 ======================= Grid point 132 (42/72) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( 9.246 -20.768 1.802) 22.805 4.236 ( 3.101 -5.746 -3.337) 7.333 4.760 ( 4.545 -10.607 10.701) 15.737 4.976 ( 12.457 -9.990 -16.667) 23.081 5.065 ( 5.551 0.140 -8.726) 10.343 5.157 ( -6.899 7.288 15.813) 18.729 5.393 ( 7.032 -13.214 0.441) 14.975 5.433 ( 6.339 -1.357 -1.635) 6.686 5.599 ( 1.620 -2.717 0.332) 3.180 5.724 ( 4.892 -25.520 8.035) 27.198 5.854 ( 11.649 -12.498 -5.644) 17.993 5.913 ( -3.532 -3.416 0.474) 4.936 5.999 ( -3.882 -1.098 -1.282) 4.233 6.129 ( -4.979 0.152 5.445) 7.379 6.192 ( 2.428 -7.329 2.943) 8.263 6.268 ( 6.391 -4.532 -11.583) 13.984 6.323 ( 6.554 -10.117 -6.703) 13.792 6.352 ( 1.355 -10.066 2.252) 10.403 6.433 ( 1.871 0.210 4.443) 4.825 6.472 ( 5.830 -0.651 7.127) 9.230 6.586 ( -3.668 -0.101 -3.350) 4.969 6.726 ( 3.103 1.566 -1.308) 3.713 6.751 ( -5.712 13.141 -1.723) 14.432 6.840 ( 7.366 -11.875 4.646) 14.726 6.930 ( -10.579 10.288 -2.326) 14.939 6.964 ( 6.138 -4.902 -2.158) 8.147 7.226 ( 6.232 -8.439 1.060) 10.544 7.248 ( -2.907 -0.929 2.066) 3.685 7.330 ( 5.201 -0.249 -0.915) 5.286 7.338 ( 0.185 2.328 -1.227) 2.639 7.420 ( 4.730 -6.236 -2.144) 8.115 7.486 ( 4.519 -0.886 3.652) 5.877 7.519 ( 4.419 -2.449 -0.868) 5.126 7.587 ( 0.552 -9.481 -2.584) 9.843 7.667 ( -9.205 4.741 6.375) 12.160 7.743 ( 5.250 -6.370 1.672) 8.423 7.765 ( 3.563 -1.450 -2.788) 4.751 7.820 ( -1.933 -0.529 -3.268) 3.834 7.939 ( -3.345 7.150 3.961) 8.832 8.051 ( -4.328 8.232 -0.608) 9.320 8.107 ( 0.511 4.000 0.317) 4.045 8.188 ( -10.873 14.712 -1.564) 18.360 8.257 ( -0.934 3.907 -7.486) 8.495 8.313 ( -3.513 2.279 0.130) 4.190 8.380 ( -1.092 -3.344 2.014) 4.053 8.524 ( -4.359 7.762 0.237) 8.905 8.593 ( 0.601 -0.210 3.457) 3.515 8.794 ( -2.366 -0.226 0.663) 2.467 8.849 ( 0.275 -0.219 2.871) 2.893 9.102 ( -5.501 10.867 0.616) 12.195 9.116 ( -2.110 4.789 -1.591) 5.470 9.182 ( 7.265 -5.971 1.033) 9.461 9.357 ( -3.111 6.432 -0.515) 7.164 9.457 ( -4.396 4.033 -6.476) 8.805 9.525 ( -2.905 7.445 3.697) 8.806 9.598 ( -5.884 4.427 -0.061) 7.364 9.749 ( -3.113 15.306 -0.013) 15.620 9.949 ( 1.357 1.109 -9.573) 9.733 9.991 ( -3.776 3.338 9.127) 10.426 10.190 ( 2.243 5.444 0.508) 5.910 10.236 ( -2.157 1.682 1.449) 3.095 10.404 ( 0.348 2.165 -0.282) 2.211 10.557 ( 1.956 0.995 1.640) 2.740 10.574 ( -2.654 2.339 -2.138) 4.133 10.631 ( -1.865 -0.740 1.384) 2.438 10.666 ( 1.311 4.792 -3.016) 5.812 10.751 ( 1.438 1.314 2.442) 3.124 10.773 ( -0.655 1.255 -2.212) 2.627 10.865 ( -0.013 -0.428 -0.220) 0.482 10.950 ( 0.461 1.731 1.604) 2.405 11.051 ( -1.660 0.446 -0.869) 1.926 11.088 ( 2.399 0.837 -0.679) 2.629 11.199 ( 0.985 0.600 0.676) 1.337 11.335 ( -0.706 0.224 3.610) 3.685 11.395 ( -1.655 -0.996 -4.783) 5.158 11.460 ( 0.335 4.775 1.538) 5.028 11.665 ( 5.120 2.628 0.502) 5.777 11.793 ( 2.485 0.762 0.177) 2.605 11.869 ( -6.533 0.894 -0.585) 6.620 12.251 ( -4.307 1.571 0.034) 4.584 12.690 ( -1.229 0.423 0.108) 1.304 12.740 ( -1.231 0.113 -0.214) 1.255 12.822 ( 0.029 -0.275 -0.027) 0.278 12.886 ( 0.414 -0.090 -0.535) 0.683 12.911 ( -2.699 -1.729 0.406) 3.231 12.931 ( 1.601 1.923 0.491) 2.550 12.998 ( 0.222 -1.846 0.254) 1.876 13.033 ( -1.367 1.038 -0.494) 1.786 13.125 ( 0.312 -1.167 -0.260) 1.235 13.134 ( -0.329 -0.016 0.009) 0.330 13.150 ( -0.445 -0.247 0.154) 0.532 13.317 ( 0.323 -0.216 -0.014) 0.389 13.355 ( 2.092 -1.044 -0.316) 2.359 13.386 ( 0.149 -1.576 0.032) 1.583 13.470 ( -0.516 -0.297 0.389) 0.711 13.621 ( 0.127 -0.653 -0.536) 0.854 13.649 ( 3.276 -0.544 0.791) 3.414 13.687 ( -2.919 -0.661 -0.562) 3.046 13.793 ( -0.216 -0.422 0.291) 0.556 13.826 ( -0.761 -0.501 0.926) 1.299 13.870 ( 6.127 1.405 0.153) 6.288 13.887 ( 0.046 -0.076 -0.562) 0.569 13.941 ( -3.082 -1.095 -1.030) 3.429 13.984 ( 0.363 -0.729 0.381) 0.899 14.225 ( -0.743 -3.296 -0.122) 3.381 14.297 ( 2.394 0.773 1.473) 2.915 14.358 ( -0.729 2.100 -1.759) 2.835 14.417 ( 0.520 -0.944 0.560) 1.215 14.846 ( 1.365 -0.265 0.100) 1.394 15.040 ( 0.501 -0.022 -0.870) 1.004 15.156 ( 0.377 -1.641 0.833) 1.879 15.322 ( 0.914 -3.225 0.786) 3.443 15.383 ( -2.150 1.046 -1.573) 2.862 15.410 ( -1.408 -0.442 0.711) 1.639 15.698 ( 0.641 -0.726 -0.133) 0.978 15.740 ( 1.092 -0.410 0.068) 1.168 15.906 ( 0.021 -1.499 0.002) 1.499 15.977 ( -0.004 -1.134 0.062) 1.135 16.063 ( -1.827 1.385 -0.014) 2.293 16.442 ( 0.201 -0.734 -0.002) 0.761 ======================= Grid point 141 (43/72) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 42.369 0.000 -25.302) 49.349 1.513 ( 37.044 0.000 -11.097) 38.670 1.673 ( 43.494 0.000 27.826) 51.633 1.738 ( 43.020 0.000 5.421) 43.360 2.125 ( 40.392 0.000 -62.038) 74.029 2.560 ( 41.202 0.000 70.469) 81.630 3.219 ( 17.370 0.000 -29.899) 34.578 3.252 ( 20.754 0.000 -2.044) 20.855 3.344 ( 26.438 0.000 30.839) 40.621 3.438 ( 28.872 0.000 -2.158) 28.953 4.393 ( 12.894 0.000 -15.097) 19.854 4.397 ( 10.938 0.000 14.098) 17.843 4.758 ( 16.506 0.000 -9.870) 19.232 4.785 ( 15.256 0.000 9.715) 18.087 4.879 ( 15.906 0.000 -18.163) 24.144 4.888 ( 14.766 0.000 22.252) 26.705 5.535 ( 2.157 0.000 -55.260) 55.302 5.749 ( 18.175 0.000 15.520) 23.900 5.760 ( 12.635 0.000 -15.511) 20.006 6.007 ( 9.784 0.000 42.718) 43.824 6.085 ( -8.088 -0.000 4.119) 9.077 6.369 ( 5.589 0.000 -8.917) 10.524 6.609 ( -15.754 -0.000 0.689) 15.769 6.673 ( -14.581 -0.000 6.322) 15.893 6.821 ( -12.700 -0.000 6.971) 14.487 6.977 ( -2.568 -0.000 -1.163) 2.819 7.151 ( 7.933 0.000 3.425) 8.640 7.323 ( 11.329 0.000 -6.726) 13.175 7.619 ( -20.276 -0.000 7.294) 21.548 7.697 ( -16.206 -0.000 -4.178) 16.736 7.836 ( -10.453 -0.000 -4.403) 11.342 7.963 ( -12.253 -0.000 -5.844) 13.575 8.062 ( 0.369 0.000 0.760) 0.845 8.269 ( 3.692 0.000 -2.893) 4.690 8.296 ( -5.879 -0.000 10.995) 12.468 8.319 ( -11.854 -0.000 -6.875) 13.703 8.436 ( -5.645 -0.000 -4.450) 7.188 8.448 ( -13.800 -0.000 1.398) 13.871 8.493 ( -10.337 -0.000 8.079) 13.120 8.527 ( -12.239 -0.000 -3.315) 12.680 8.713 ( -4.283 -0.000 4.071) 5.909 8.777 ( 1.086 0.000 -5.116) 5.230 8.864 ( -0.684 -0.000 -9.083) 9.109 8.993 ( -3.328 -0.000 5.533) 6.457 9.084 ( -9.483 -0.000 -4.566) 10.525 9.137 ( 4.260 0.000 8.095) 9.148 9.289 ( 2.516 0.000 -3.883) 4.627 9.306 ( -1.462 -0.000 2.452) 2.855 9.492 ( 7.032 0.000 4.451) 8.322 9.532 ( 1.521 0.000 1.529) 2.156 9.620 ( 4.824 0.000 -0.976) 4.922 9.686 ( 1.522 0.000 -5.389) 5.599 9.791 ( -0.106 -0.000 -0.336) 0.352 9.818 ( 0.623 0.000 0.576) 0.848 10.121 ( -1.809 -0.000 3.233) 3.704 10.224 ( -2.619 -0.000 14.640) 14.872 10.261 ( 0.562 0.000 -4.701) 4.734 10.270 ( 3.592 0.000 -7.931) 8.706 10.555 ( -3.663 -0.000 4.768) 6.012 10.558 ( -0.960 -0.000 0.349) 1.022 10.647 ( -3.613 -0.000 -7.190) 8.047 10.735 ( -2.133 -0.000 0.758) 2.264 10.823 ( -1.215 -0.000 -1.260) 1.750 10.854 ( 2.800 0.000 5.456) 6.133 10.911 ( -1.896 -0.000 2.867) 3.437 10.924 ( -1.282 -0.000 -1.102) 1.691 11.038 ( 3.465 0.000 2.825) 4.470 11.075 ( 5.705 0.000 -9.643) 11.204 11.235 ( -0.884 -0.000 -0.155) 0.898 11.294 ( 1.371 0.000 0.899) 1.640 11.432 ( -2.564 -0.000 -1.579) 3.011 11.461 ( -0.499 -0.000 0.426) 0.656 11.579 ( -16.123 -0.000 8.186) 18.082 11.887 ( -10.983 -0.000 5.221) 12.161 11.893 ( -10.753 -0.000 -0.654) 10.773 12.116 ( -7.463 -0.000 -1.214) 7.561 12.261 ( -3.279 -0.000 -4.260) 5.376 12.283 ( -2.104 -0.000 3.192) 3.823 12.458 ( -4.503 -0.000 2.643) 5.221 12.470 ( 1.144 0.000 -2.038) 2.337 12.694 ( 0.749 0.000 -1.112) 1.341 12.710 ( 1.263 0.000 0.911) 1.557 12.749 ( 0.011 0.000 -1.557) 1.557 12.757 ( 0.646 0.000 1.297) 1.449 12.765 ( -1.094 -0.000 -1.378) 1.759 12.838 ( -1.233 -0.000 1.924) 2.285 12.971 ( -0.595 -0.000 1.832) 1.926 12.972 ( 0.625 0.000 -5.198) 5.236 13.029 ( -1.044 -0.000 -1.540) 1.861 13.044 ( 1.955 0.000 3.002) 3.582 13.103 ( 1.826 0.000 2.438) 3.046 13.141 ( 1.623 0.000 -1.666) 2.326 13.166 ( -0.084 -0.000 -2.396) 2.397 13.289 ( 0.579 0.000 -0.011) 0.579 13.365 ( -0.576 -0.000 -0.644) 0.864 13.433 ( 1.927 0.000 2.452) 3.118 13.477 ( -4.578 -0.000 -0.052) 4.579 13.553 ( -2.674 -0.000 -0.698) 2.763 13.617 ( 2.712 0.000 0.921) 2.864 13.645 ( 1.649 0.000 -1.531) 2.250 13.721 ( 5.139 0.000 2.226) 5.600 13.757 ( 6.977 0.000 -2.958) 7.579 13.925 ( -1.579 -0.000 0.598) 1.689 13.975 ( 9.815 0.000 4.911) 10.975 14.010 ( 4.546 0.000 -3.761) 5.901 14.073 ( 2.135 0.000 -1.855) 2.829 14.411 ( -0.101 -0.000 -2.630) 2.632 14.466 ( 1.507 0.000 2.051) 2.545 14.828 ( -0.999 -0.000 2.364) 2.566 14.852 ( 1.097 0.000 -2.476) 2.708 14.994 ( -0.039 -0.000 -1.275) 1.276 15.012 ( 0.701 0.000 1.371) 1.540 15.392 ( 0.880 0.000 1.100) 1.409 15.414 ( -0.616 -0.000 -1.912) 2.008 15.455 ( 1.383 0.000 -0.521) 1.478 15.550 ( 3.905 0.000 -2.122) 4.445 15.805 ( -1.888 -0.000 -1.579) 2.462 15.901 ( -0.194 -0.000 -4.044) 4.048 16.197 ( -1.260 -0.000 1.562) 2.007 16.233 ( 1.470 0.000 -1.770) 2.300 ======================= Grid point 142 (44/72) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 28.481 -13.148 -22.439) 38.569 2.172 ( 40.338 -27.706 0.700) 48.941 2.227 ( 33.390 -18.993 -6.215) 38.913 2.356 ( 44.378 -25.589 20.721) 55.259 2.821 ( 58.728 -23.965 -29.007) 69.747 3.229 ( 51.474 -21.264 49.863) 74.753 3.544 ( 22.875 -16.690 -28.183) 39.951 3.582 ( 25.824 -13.164 2.428) 29.087 3.747 ( 33.282 -12.828 28.113) 45.416 3.855 ( 33.291 -14.445 -6.164) 36.809 4.626 ( 15.644 -12.319 -6.130) 20.834 4.653 ( 16.297 -13.111 4.164) 21.327 4.987 ( 15.133 -9.797 -0.369) 18.031 5.048 ( 20.676 -11.261 -3.783) 23.845 5.143 ( 23.143 -9.955 -6.380) 25.989 5.152 ( 22.262 -8.629 15.462) 28.446 5.586 ( 4.858 -6.950 -55.444) 56.089 5.873 ( 2.390 1.417 3.624) 4.566 5.972 ( 19.189 -3.675 12.510) 23.200 6.078 ( 13.403 -3.833 -5.829) 15.110 6.121 ( 4.619 -1.481 16.223) 16.932 6.350 ( -2.411 3.042 -2.843) 4.811 6.495 ( -10.402 -0.922 -0.775) 10.472 6.589 ( -6.114 -1.564 15.038) 16.308 6.703 ( -11.155 0.191 7.360) 13.366 6.937 ( -2.772 0.975 1.546) 3.321 7.181 ( 7.973 4.603 2.693) 9.592 7.352 ( -7.220 1.328 -4.767) 8.753 7.429 ( -17.919 0.226 5.523) 18.752 7.570 ( -4.470 2.357 -4.324) 6.650 7.689 ( -14.138 3.990 -3.948) 15.211 7.795 ( -15.910 4.124 -3.916) 16.896 7.974 ( -6.612 5.819 4.946) 10.101 8.090 ( -18.674 10.570 1.648) 21.521 8.196 ( -11.714 5.691 0.137) 13.024 8.220 ( -11.035 1.229 -3.985) 11.796 8.286 ( -5.984 3.326 -6.155) 9.206 8.355 ( -10.073 -0.555 2.411) 10.373 8.383 ( -13.567 1.733 0.909) 13.708 8.473 ( -4.046 0.376 3.190) 5.166 8.708 ( -0.455 -0.623 1.894) 2.045 8.753 ( -3.218 5.808 -8.162) 10.522 8.821 ( 4.095 0.796 -2.170) 4.702 8.941 ( -6.930 3.675 -2.322) 8.181 9.018 ( -4.685 -0.445 -0.595) 4.744 9.161 ( 1.951 4.101 2.529) 5.198 9.217 ( 0.780 6.993 -2.854) 7.593 9.289 ( 3.052 0.706 8.133) 8.716 9.351 ( 1.479 13.634 1.928) 13.848 9.505 ( 0.785 5.271 0.511) 5.353 9.641 ( 0.867 5.549 -3.413) 6.572 9.690 ( -1.275 2.795 0.239) 3.081 9.760 ( -0.454 0.156 -1.115) 1.214 9.804 ( 0.471 2.173 1.570) 2.722 10.100 ( -1.524 0.385 3.073) 3.452 10.194 ( -4.449 0.924 9.718) 10.728 10.258 ( 1.605 2.342 -5.612) 6.290 10.294 ( -1.408 -1.583 -3.662) 4.231 10.454 ( -4.009 5.315 2.922) 7.271 10.526 ( -1.015 3.107 -0.511) 3.308 10.558 ( 2.451 7.290 -3.319) 8.376 10.700 ( -1.262 2.505 1.092) 3.010 10.797 ( -1.593 1.503 -0.519) 2.251 10.826 ( -1.451 5.069 -2.403) 5.795 10.913 ( -2.572 0.734 1.916) 3.290 10.928 ( 1.008 -2.059 2.531) 3.415 10.980 ( 1.582 5.535 -2.415) 6.242 11.030 ( 4.294 5.255 -1.888) 7.044 11.184 ( -1.285 5.338 1.074) 5.595 11.241 ( 0.481 5.427 -0.180) 5.452 11.285 ( -0.944 2.851 6.617) 7.267 11.345 ( 1.405 7.929 -4.583) 9.265 11.660 ( -10.598 -4.598 -2.162) 11.753 11.750 ( -13.039 2.696 4.115) 13.936 11.836 ( -12.504 -3.462 -1.441) 13.054 12.044 ( -8.426 2.073 -2.327) 8.984 12.176 ( -4.273 5.060 2.209) 6.982 12.275 ( -6.919 0.290 -1.070) 7.007 12.372 ( -6.119 4.263 1.293) 7.569 12.459 ( -1.336 1.616 -0.732) 2.221 12.705 ( -1.768 -3.084 0.310) 3.569 12.739 ( 0.698 -1.137 0.268) 1.361 12.760 ( 0.900 -0.417 -1.137) 1.509 12.773 ( -1.160 -1.507 0.027) 1.902 12.802 ( 0.915 -3.571 0.360) 3.704 12.849 ( -2.275 -2.072 1.493) 3.420 12.975 ( 0.533 0.166 -4.482) 4.517 12.985 ( -0.044 -1.473 0.942) 1.749 13.041 ( 0.622 -2.008 -0.683) 2.210 13.062 ( 1.441 -0.252 1.923) 2.416 13.123 ( 1.619 -0.097 3.689) 4.030 13.152 ( 1.352 0.733 -1.503) 2.150 13.168 ( 1.020 -0.646 -2.202) 2.511 13.320 ( 2.316 -1.593 1.320) 3.105 13.365 ( -0.677 -0.595 -2.051) 2.240 13.435 ( -1.875 0.543 -0.214) 1.963 13.466 ( 1.015 -1.683 1.640) 2.560 13.564 ( -2.606 -3.314 0.260) 4.224 13.667 ( 2.093 -0.680 -0.786) 2.337 13.671 ( 3.776 -2.803 1.234) 4.862 13.738 ( 5.569 2.148 -0.433) 5.984 13.832 ( 5.489 -1.690 -2.261) 6.172 13.927 ( 1.145 -0.153 1.413) 1.825 13.981 ( 2.472 3.131 0.011) 3.990 14.039 ( 4.961 1.631 0.315) 5.232 14.123 ( 2.409 -3.023 -0.073) 3.866 14.381 ( 0.161 3.060 -0.365) 3.086 14.465 ( 0.690 0.386 0.543) 0.959 14.817 ( -0.564 0.369 1.212) 1.386 14.881 ( 1.441 -2.083 -1.996) 3.225 15.000 ( 0.006 -1.001 0.566) 1.150 15.030 ( 1.293 -0.739 0.531) 1.581 15.388 ( -0.817 0.268 0.644) 1.074 15.434 ( -0.349 -1.071 -0.334) 1.176 15.489 ( 1.833 -2.282 -1.478) 3.279 15.578 ( 2.364 -0.561 -0.261) 2.444 15.797 ( -0.814 -0.516 -0.677) 1.177 15.846 ( -0.978 2.910 -0.698) 3.148 16.188 ( -1.404 -0.000 0.597) 1.526 16.257 ( 0.995 -1.655 -0.813) 2.095 ======================= Grid point 143 (45/72) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 24.583 -21.338 -10.255) 34.130 2.844 ( 27.594 -22.561 5.908) 36.129 3.133 ( 34.720 -37.799 -9.857) 52.263 3.306 ( 40.723 -34.687 15.619) 55.727 3.743 ( 48.831 -23.992 -16.331) 56.805 4.002 ( 26.428 -16.947 12.470) 33.781 4.163 ( 29.990 -23.535 2.637) 38.214 4.238 ( 37.656 -33.027 -1.753) 50.118 4.383 ( 32.992 -20.848 7.176) 39.682 4.479 ( 30.194 -25.290 8.010) 40.192 5.065 ( 16.551 -20.066 -9.009) 27.527 5.099 ( 16.383 -18.213 4.135) 24.843 5.355 ( 12.644 -16.020 -2.084) 20.515 5.488 ( 20.176 -15.432 -2.007) 25.481 5.553 ( 24.636 -11.648 19.973) 33.787 5.592 ( 22.344 -16.061 -14.095) 30.917 5.727 ( -0.704 -0.860 -4.371) 4.510 5.870 ( 5.746 -8.014 -26.519) 28.293 6.015 ( -8.005 -1.125 3.813) 8.938 6.217 ( -9.155 1.420 -3.937) 10.066 6.342 ( 17.059 -4.881 -5.658) 18.624 6.375 ( 16.453 -3.224 0.258) 16.768 6.447 ( 7.070 -2.184 -2.232) 7.729 6.622 ( -2.551 -4.564 6.454) 8.306 6.730 ( 4.825 -5.346 22.272) 23.407 6.915 ( -1.234 -0.656 3.205) 3.497 7.114 ( -0.193 5.750 -1.098) 5.857 7.201 ( -13.409 0.655 3.703) 13.926 7.334 ( -7.875 -0.934 0.794) 7.970 7.443 ( -16.143 7.029 -2.325) 17.760 7.499 ( -3.273 4.672 0.872) 5.771 7.609 ( -8.701 1.695 -7.691) 11.736 7.712 ( -8.559 15.444 6.503) 18.817 7.776 ( -16.041 5.773 3.684) 17.442 7.971 ( -17.056 3.674 -2.672) 17.651 8.052 ( -10.807 6.943 -6.625) 14.453 8.157 ( -0.763 5.507 4.445) 7.118 8.202 ( -13.312 4.260 -0.993) 14.013 8.254 ( -10.972 3.647 0.885) 11.597 8.420 ( -3.552 2.562 4.531) 6.302 8.580 ( -5.566 7.067 -9.201) 12.868 8.677 ( -1.996 6.918 0.246) 7.204 8.766 ( -5.811 7.654 -4.024) 10.418 8.791 ( -2.172 6.605 -2.821) 7.503 8.909 ( -0.595 7.502 -0.304) 7.532 9.008 ( -0.323 10.455 0.848) 10.494 9.093 ( -0.508 11.902 0.924) 11.949 9.179 ( 0.791 1.267 -0.492) 1.573 9.279 ( 0.685 10.281 -1.513) 10.414 9.393 ( -0.657 5.358 5.643) 7.809 9.497 ( -1.762 6.392 -0.181) 6.633 9.595 ( -1.721 2.975 1.744) 3.854 9.711 ( -3.006 3.455 1.140) 4.719 9.721 ( -3.304 7.011 -1.172) 7.839 10.062 ( -5.013 12.576 3.471) 13.976 10.113 ( -1.292 -2.725 1.278) 3.275 10.158 ( -5.369 4.898 0.927) 7.327 10.256 ( -0.420 4.999 -4.781) 6.930 10.383 ( 0.488 6.612 2.165) 6.975 10.408 ( -1.081 1.586 2.283) 2.983 10.489 ( -0.899 2.373 -4.200) 4.907 10.612 ( -0.134 5.002 2.324) 5.517 10.735 ( -4.428 2.974 0.924) 5.414 10.749 ( -2.577 0.394 -5.772) 6.334 10.856 ( -3.142 2.785 0.473) 4.225 10.895 ( -1.629 4.246 -1.104) 4.680 10.962 ( -0.239 1.805 1.439) 2.321 10.992 ( 1.558 2.070 0.557) 2.650 11.026 ( -0.991 8.129 -1.853) 8.396 11.173 ( 0.318 3.819 1.484) 4.109 11.212 ( 1.400 7.285 -2.795) 7.927 11.265 ( 2.652 1.759 3.564) 4.778 11.530 ( -10.999 5.481 5.115) 13.311 11.590 ( -11.422 3.895 0.284) 12.071 11.723 ( -10.525 6.310 -6.388) 13.835 11.880 ( -9.281 7.584 0.755) 12.009 12.014 ( -2.961 7.883 0.113) 8.422 12.126 ( -3.724 9.693 -0.764) 10.412 12.204 ( -7.580 7.064 1.096) 10.419 12.405 ( -3.522 1.878 0.155) 3.995 12.738 ( -2.666 -1.998 -1.337) 3.590 12.767 ( -1.721 -0.798 0.857) 2.081 12.775 ( 1.254 -1.285 0.782) 1.958 12.791 ( -4.194 -2.489 1.287) 5.044 12.839 ( -2.184 -1.110 -0.972) 2.636 12.880 ( -0.085 -2.939 -0.189) 2.946 12.972 ( 1.320 0.333 -2.559) 2.898 13.015 ( 0.235 -1.529 0.577) 1.651 13.066 ( 1.126 0.640 1.226) 1.783 13.106 ( 1.591 -2.633 -0.891) 3.203 13.148 ( -1.006 -2.031 0.554) 2.333 13.160 ( 3.341 0.378 1.142) 3.551 13.203 ( 1.067 -2.590 -1.229) 3.059 13.336 ( 1.116 0.795 2.993) 3.292 13.408 ( 0.991 -2.613 -2.940) 4.056 13.436 ( 1.244 -1.771 -1.661) 2.728 13.511 ( 0.949 -2.391 1.230) 2.852 13.612 ( -3.060 -4.138 0.831) 5.213 13.704 ( 2.473 -1.149 0.985) 2.900 13.759 ( 3.620 -0.973 -0.568) 3.791 13.775 ( 5.643 -2.805 -0.317) 6.310 13.892 ( 3.862 -0.188 -0.855) 3.960 13.941 ( 3.056 1.456 0.582) 3.434 13.958 ( 0.308 0.036 0.358) 0.474 14.062 ( 2.604 -0.885 -1.171) 2.989 14.213 ( 2.093 -4.519 0.735) 5.035 14.329 ( 1.295 2.801 0.628) 3.149 14.467 ( -0.122 -0.006 -0.328) 0.350 14.817 ( 1.417 -0.084 0.491) 1.502 14.946 ( 1.925 -3.507 -1.977) 4.462 15.038 ( 0.537 -2.355 1.545) 2.867 15.061 ( 2.205 -1.421 0.111) 2.625 15.373 ( -3.020 -0.454 0.517) 3.097 15.415 ( -2.654 1.026 -0.603) 2.909 15.558 ( 1.752 -3.343 -1.085) 3.928 15.629 ( 2.728 -2.487 0.684) 3.754 15.797 ( -0.436 -0.567 -0.246) 0.756 15.836 ( -0.713 -2.030 0.100) 2.154 16.167 ( -1.817 0.922 0.257) 2.054 16.305 ( 0.002 -2.999 -0.207) 3.006 ======================= Grid point 144 (46/72) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 22.486 -24.236 -1.931) 33.117 3.498 ( 24.185 -24.014 0.166) 34.082 4.086 ( 26.719 -37.006 -6.496) 46.104 4.281 ( 36.177 -33.135 10.423) 50.153 4.422 ( 25.538 -17.504 -11.981) 33.198 4.535 ( 22.240 -17.492 18.065) 33.570 4.816 ( 21.407 -19.778 1.760) 29.198 4.969 ( 22.066 -20.641 -19.003) 35.694 5.103 ( 28.135 -29.056 3.785) 40.622 5.302 ( 25.319 -28.287 13.851) 40.411 5.504 ( 8.352 -5.976 2.355) 10.536 5.569 ( 7.235 -9.419 -3.554) 12.397 5.580 ( 13.489 -15.374 -6.703) 21.523 5.766 ( -0.304 -5.698 4.638) 7.354 5.842 ( -3.734 -7.505 8.084) 11.645 5.953 ( 8.118 -11.823 2.784) 14.609 5.994 ( 16.320 -12.601 2.319) 20.749 6.075 ( 16.135 -15.369 -7.308) 23.451 6.111 ( -2.418 -2.461 -0.074) 3.451 6.245 ( 5.722 -6.659 -13.732) 16.299 6.338 ( 7.577 -4.790 -15.655) 18.040 6.588 ( 6.483 -6.496 3.445) 9.803 6.697 ( 8.593 -3.693 -1.209) 9.431 6.760 ( 14.275 -4.529 1.968) 15.105 6.885 ( 3.876 -5.633 6.898) 9.713 6.956 ( 2.895 -3.003 3.703) 5.578 7.076 ( 5.848 0.296 -1.168) 5.971 7.170 ( -4.482 -3.875 4.720) 7.575 7.256 ( -6.785 -1.687 -4.350) 8.234 7.304 ( -0.357 -2.068 3.264) 3.881 7.382 ( -9.296 5.739 4.059) 11.655 7.427 ( -4.755 2.685 0.903) 5.534 7.514 ( -11.351 4.565 2.013) 12.399 7.574 ( 2.509 3.302 -0.522) 4.180 7.773 ( -9.069 6.483 -8.192) 13.834 7.849 ( -8.741 6.051 0.980) 10.676 8.006 ( 0.021 8.193 -1.558) 8.340 8.012 ( -10.292 10.698 -1.185) 14.892 8.122 ( -3.734 -2.483 16.781) 17.370 8.293 ( -6.426 10.384 -8.661) 14.971 8.384 ( -5.929 5.024 8.624) 11.609 8.481 ( -3.849 7.464 -7.824) 11.478 8.522 ( -5.976 14.117 -4.727) 16.042 8.583 ( -4.773 10.903 0.874) 11.934 8.717 ( -3.396 13.211 -2.116) 13.803 8.796 ( 0.830 11.405 -0.201) 11.437 8.959 ( -5.172 17.345 -4.368) 18.619 9.015 ( -1.671 -0.023 -0.489) 1.741 9.153 ( -0.509 6.202 6.336) 8.881 9.201 ( -3.320 8.985 0.459) 9.590 9.381 ( -4.425 6.110 -2.807) 8.049 9.514 ( -3.314 11.733 -3.686) 12.737 9.572 ( -4.999 9.126 0.424) 10.414 9.632 ( 0.294 -3.588 6.270) 7.230 9.746 ( -3.910 12.529 -2.022) 13.280 9.956 ( -8.231 11.947 3.167) 14.849 10.114 ( 2.009 5.124 -4.042) 6.828 10.176 ( -1.312 3.125 4.693) 5.789 10.237 ( -3.568 6.189 3.992) 8.184 10.326 ( -3.655 5.241 -1.267) 6.514 10.459 ( -4.652 0.111 -6.161) 7.721 10.573 ( -2.649 -0.267 0.961) 2.831 10.617 ( -7.173 6.158 2.884) 9.884 10.689 ( -4.476 4.376 -7.173) 9.520 10.710 ( -2.912 6.373 1.037) 7.083 10.802 ( -2.066 3.324 1.464) 4.179 10.876 ( -2.107 2.315 0.703) 3.208 10.937 ( -0.725 4.336 -1.388) 4.610 10.969 ( -3.181 2.837 0.680) 4.316 11.030 ( 3.127 8.797 -1.801) 9.508 11.159 ( -1.428 2.667 5.190) 6.007 11.253 ( 2.416 2.790 1.734) 4.078 11.344 ( -6.358 7.481 0.405) 9.827 11.414 ( -9.132 11.807 -3.387) 15.306 11.424 ( -8.516 4.094 -1.612) 9.586 11.676 ( -8.009 5.642 3.142) 10.288 11.857 ( -5.340 6.503 -1.213) 8.501 11.930 ( -0.039 8.236 -1.134) 8.314 12.018 ( -4.216 6.792 0.504) 8.010 12.326 ( -5.526 2.363 0.247) 6.015 12.709 ( -4.140 1.027 -0.457) 4.290 12.754 ( -1.380 0.147 0.206) 1.403 12.802 ( -2.025 -2.759 -0.186) 3.427 12.812 ( 0.948 -1.158 1.119) 1.869 12.871 ( -0.984 -3.117 -0.777) 3.360 12.916 ( -0.124 -1.084 -0.194) 1.108 12.985 ( 3.033 0.318 -0.660) 3.120 13.044 ( -1.218 -1.607 0.046) 2.017 13.065 ( 1.638 0.159 0.400) 1.693 13.131 ( 0.382 0.030 -0.429) 0.575 13.153 ( 0.304 0.815 0.998) 1.324 13.224 ( 1.012 -4.013 -0.403) 4.158 13.275 ( 1.444 -3.759 0.023) 4.027 13.346 ( 1.794 -0.092 1.355) 2.250 13.434 ( -0.692 -1.246 -0.721) 1.597 13.514 ( 3.081 -3.608 -2.261) 5.255 13.570 ( 0.131 -3.116 0.368) 3.140 13.643 ( -3.153 -2.068 0.449) 3.797 13.745 ( 1.339 -1.192 1.213) 2.164 13.821 ( 3.059 -2.788 0.844) 4.224 13.862 ( 2.540 -1.172 -1.002) 2.971 13.905 ( 3.234 0.853 0.549) 3.389 13.938 ( 1.895 1.033 -0.707) 2.271 13.972 ( 2.069 0.101 -0.021) 2.072 14.111 ( 2.531 -1.964 -0.336) 3.221 14.311 ( 2.424 -0.514 1.888) 3.115 14.313 ( 1.330 -2.851 -1.094) 3.330 14.452 ( -1.034 1.247 -0.400) 1.668 14.845 ( 3.582 -0.356 0.039) 3.600 15.033 ( 1.115 -4.262 0.186) 4.409 15.068 ( 3.996 0.629 -0.546) 4.082 15.141 ( 1.112 -5.182 0.522) 5.326 15.358 ( -3.890 -1.441 0.677) 4.203 15.377 ( -3.352 -0.133 -0.735) 3.435 15.628 ( 0.975 -2.927 -0.849) 3.199 15.699 ( 2.553 -2.270 0.767) 3.502 15.821 ( -0.091 -2.157 -0.295) 2.179 15.880 ( -0.780 -3.362 -0.031) 3.451 16.126 ( -1.763 1.701 0.229) 2.460 16.358 ( -1.131 -3.272 -0.025) 3.462 ======================= Grid point 145 (47/72) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( 20.319 -22.678 1.007) 30.465 4.090 ( 18.552 -18.471 -4.386) 26.545 4.664 ( 7.244 -8.615 12.519) 16.835 4.908 ( 15.660 -9.516 -20.708) 27.652 5.002 ( 19.313 -22.704 -1.500) 29.844 5.165 ( 16.653 -24.553 14.972) 33.231 5.210 ( 16.197 -12.111 3.382) 20.505 5.378 ( -1.749 2.512 8.120) 8.678 5.477 ( 7.830 -10.966 -6.087) 14.785 5.551 ( 6.575 -1.995 -7.504) 10.175 5.708 ( 9.394 -11.203 -1.670) 14.716 5.791 ( -6.197 -4.717 1.750) 7.983 5.924 ( 3.474 -5.522 1.034) 6.606 5.979 ( -1.996 -9.226 4.014) 10.258 6.073 ( 9.863 -16.641 2.658) 19.526 6.104 ( 0.898 -8.319 -1.148) 8.446 6.144 ( 7.225 -12.128 -0.528) 14.127 6.288 ( 6.027 -4.551 -9.438) 12.088 6.422 ( -0.029 -7.785 4.540) 9.012 6.437 ( 6.841 -4.299 1.748) 8.266 6.578 ( 15.295 -14.003 -8.457) 22.395 6.707 ( 0.781 4.725 -2.909) 5.604 6.786 ( 10.319 -2.185 2.130) 10.761 6.866 ( -10.749 2.883 6.516) 12.897 6.993 ( 3.422 0.053 1.028) 3.573 7.059 ( 6.791 -0.461 -6.790) 9.614 7.113 ( 1.738 -3.342 6.491) 7.505 7.213 ( 5.249 -3.394 -4.055) 7.451 7.254 ( -0.364 -1.612 -1.852) 2.482 7.342 ( 7.187 -12.203 1.120) 14.207 7.413 ( 1.241 -3.398 4.589) 5.844 7.471 ( 1.275 -1.228 -0.979) 2.022 7.550 ( 4.318 5.797 -8.714) 11.322 7.584 ( 6.429 -1.215 4.460) 7.918 7.647 ( -0.776 -2.359 9.280) 9.607 7.695 ( 3.838 -2.129 0.586) 4.428 7.759 ( 1.578 5.955 0.179) 6.163 7.875 ( -6.248 6.069 -7.229) 11.319 8.084 ( -2.575 6.906 -0.106) 7.372 8.153 ( 4.549 5.406 -1.502) 7.223 8.215 ( -2.703 8.956 5.941) 11.082 8.278 ( -3.294 5.765 1.159) 6.740 8.354 ( -1.066 7.398 -0.769) 7.514 8.416 ( -1.449 6.212 0.093) 6.379 8.503 ( -2.359 -0.394 1.878) 3.041 8.575 ( -4.683 17.881 -0.447) 18.489 8.578 ( -1.352 6.384 -5.513) 8.543 8.844 ( -8.317 12.579 -1.502) 15.155 9.029 ( -1.832 6.439 5.168) 8.458 9.096 ( -7.681 8.349 -2.543) 11.626 9.208 ( 6.942 2.048 5.713) 9.221 9.275 ( -3.635 8.255 -1.674) 9.174 9.432 ( -4.506 3.642 -3.020) 6.534 9.520 ( -6.099 7.410 -2.764) 9.987 9.586 ( -3.557 13.438 -3.454) 14.324 9.716 ( -4.036 3.025 3.063) 5.901 9.979 ( -9.703 12.840 5.596) 17.039 9.990 ( -1.063 9.050 -2.665) 9.494 10.095 ( -3.553 5.832 -1.207) 6.935 10.221 ( -9.232 6.723 4.302) 12.204 10.319 ( -0.125 5.963 1.036) 6.054 10.437 ( -5.783 0.749 -2.308) 6.271 10.534 ( -2.935 2.587 -2.728) 4.770 10.593 ( -5.593 1.518 -3.980) 7.031 10.650 ( -1.120 2.075 0.976) 2.552 10.723 ( -5.351 1.001 1.626) 5.681 10.786 ( -2.297 7.282 -2.543) 8.048 10.841 ( -2.313 2.577 -1.167) 3.654 10.850 ( -0.845 3.684 1.957) 4.256 10.958 ( -4.955 2.381 3.706) 6.630 11.060 ( -2.890 3.127 0.428) 4.279 11.135 ( -1.310 3.415 -0.188) 3.662 11.239 ( 1.441 2.759 -0.450) 3.145 11.307 ( -4.514 -0.916 4.308) 6.307 11.341 ( -4.676 -0.596 -6.635) 8.139 11.524 ( -7.599 4.074 3.287) 9.227 11.687 ( -8.957 4.547 0.454) 10.056 11.840 ( -0.623 2.696 -2.994) 4.077 11.922 ( 5.061 3.966 1.245) 6.549 12.245 ( -2.931 1.451 0.140) 3.273 12.669 ( -2.458 -0.211 -0.141) 2.471 12.748 ( 0.942 0.157 0.371) 1.025 12.830 ( 1.716 -0.111 0.165) 1.727 12.844 ( -0.948 -2.549 -0.737) 2.818 12.900 ( -0.281 -0.113 0.079) 0.313 12.929 ( -1.443 -1.647 -0.045) 2.190 13.013 ( 5.208 0.595 0.096) 5.243 13.040 ( -0.467 0.450 -0.178) 0.672 13.097 ( 0.634 -1.627 -0.082) 1.748 13.129 ( -0.265 0.027 1.230) 1.258 13.150 ( 1.191 -0.060 -0.802) 1.437 13.287 ( -0.738 -2.582 -0.410) 2.717 13.347 ( 0.083 -2.604 0.821) 2.732 13.366 ( 2.351 -0.474 0.534) 2.457 13.451 ( -0.545 -1.263 -0.604) 1.502 13.589 ( -0.370 -2.434 -0.869) 2.611 13.608 ( -3.904 -2.570 -0.862) 4.753 13.647 ( 0.017 -1.189 -0.585) 1.325 13.768 ( -0.629 -0.968 2.308) 2.581 13.853 ( 1.525 2.026 0.038) 2.537 13.893 ( 1.095 -2.182 1.877) 3.080 13.909 ( 0.742 1.826 -2.509) 3.190 13.962 ( 5.774 0.102 0.414) 5.789 13.993 ( 2.271 -0.393 -0.051) 2.305 14.168 ( 2.311 -1.827 -0.217) 2.953 14.322 ( 1.586 0.095 0.949) 1.850 14.380 ( 0.493 -0.891 -2.589) 2.782 14.410 ( -1.117 1.065 1.649) 2.259 14.876 ( 3.331 0.748 -0.284) 3.425 15.066 ( 1.024 0.574 3.530) 3.720 15.130 ( 3.939 -2.300 -3.682) 5.862 15.250 ( 1.431 -5.284 1.004) 5.565 15.358 ( -2.916 -1.264 -1.626) 3.570 15.368 ( -2.244 -2.039 1.155) 3.245 15.675 ( -0.170 -1.883 -0.317) 1.917 15.745 ( 1.460 -0.580 0.120) 1.576 15.867 ( 0.425 -2.729 -0.071) 2.763 15.935 ( -0.633 -3.108 0.043) 3.172 16.082 ( -0.601 1.831 0.156) 1.934 16.399 ( -2.114 -2.775 0.012) 3.488 ======================= Grid point 146 (48/72) ======================= q-point: ( 0.55 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.162 ( 13.937 -6.295 1.164) 15.337 4.280 ( 3.942 5.816 -5.247) 8.769 4.876 ( 1.499 -3.584 12.575) 13.162 5.010 ( -2.580 6.619 9.162) 11.594 5.048 ( 0.781 1.841 -10.546) 10.734 5.192 ( 5.175 4.522 -5.215) 8.627 5.444 ( 3.255 3.804 -4.100) 6.472 5.567 ( -3.773 4.819 -0.100) 6.121 5.657 ( 2.168 5.606 -4.732) 7.650 5.791 ( 1.362 -20.463 3.349) 20.779 5.843 ( -2.632 -4.332 0.223) 5.074 5.916 ( -1.171 -3.152 5.851) 6.749 5.984 ( -0.070 -0.694 -1.134) 1.331 6.087 ( 9.708 -18.009 5.432) 21.168 6.182 ( -3.037 -1.730 -1.163) 3.684 6.254 ( -3.682 -0.922 -2.976) 4.823 6.360 ( -6.720 1.677 3.563) 7.789 6.402 ( -5.525 9.559 -5.893) 12.515 6.444 ( 1.964 2.897 -3.225) 4.759 6.560 ( 3.331 -1.702 -3.316) 4.999 6.591 ( 0.137 1.802 -3.639) 4.063 6.695 ( 9.654 -6.438 10.240) 15.476 6.749 ( -0.291 1.859 0.609) 1.977 6.891 ( 4.188 6.185 5.843) 9.483 6.954 ( 5.411 -4.819 -7.123) 10.161 7.074 ( 5.705 8.042 0.145) 9.861 7.200 ( 0.607 -1.358 1.327) 1.993 7.229 ( -3.965 4.104 -3.727) 6.816 7.346 ( 0.042 6.152 5.367) 8.164 7.412 ( -3.328 -4.541 -2.215) 6.050 7.471 ( 1.839 1.687 -1.453) 2.887 7.498 ( 2.388 -1.516 1.122) 3.043 7.554 ( -0.608 4.634 -2.587) 5.341 7.612 ( -2.586 -1.469 2.515) 3.895 7.654 ( 6.961 -3.131 -2.952) 8.184 7.795 ( 6.847 -1.630 -1.795) 7.264 7.835 ( 4.414 1.753 2.637) 5.432 7.898 ( 2.262 8.729 1.221) 9.099 7.942 ( 1.492 1.993 2.697) 3.670 8.040 ( 3.603 -0.339 -0.419) 3.643 8.073 ( -0.326 8.154 1.773) 8.351 8.147 ( 7.180 1.185 -0.268) 7.283 8.210 ( -0.163 2.953 0.220) 2.965 8.391 ( 5.264 -0.617 -2.163) 5.725 8.405 ( 4.297 -1.741 0.130) 4.638 8.493 ( 2.346 -0.856 -2.293) 3.390 8.623 ( 3.302 4.210 -0.061) 5.350 8.787 ( 1.175 4.457 -1.880) 4.978 8.885 ( 3.255 -13.497 5.180) 14.819 8.984 ( -5.268 6.584 -0.125) 8.433 9.098 ( -1.722 0.550 -2.323) 2.943 9.258 ( -2.354 -0.326 -4.606) 5.183 9.320 ( 1.518 2.783 1.316) 3.433 9.408 ( -4.537 8.323 -0.120) 9.480 9.458 ( 0.586 0.495 6.612) 6.656 9.538 ( -0.895 -6.372 -1.621) 6.636 9.700 ( -2.098 7.609 -1.932) 8.126 9.914 ( -5.532 -4.826 -0.052) 7.341 9.987 ( 2.575 5.693 0.180) 6.251 10.106 ( -8.130 -1.732 5.419) 9.923 10.222 ( -1.931 3.881 -3.254) 5.420 10.391 ( -3.309 0.141 -1.602) 3.679 10.495 ( -5.406 -1.615 -2.077) 6.012 10.524 ( -5.270 -0.569 -0.307) 5.309 10.610 ( 0.145 -0.174 1.761) 1.776 10.676 ( -0.753 1.451 -2.225) 2.761 10.701 ( -6.978 -1.437 -0.527) 7.144 10.760 ( -0.284 1.596 0.281) 1.645 10.847 ( -2.076 -1.097 2.186) 3.208 10.897 ( -4.987 -0.894 0.168) 5.069 11.037 ( -0.920 -0.654 4.153) 4.303 11.088 ( -2.306 1.481 -1.588) 3.167 11.197 ( -0.700 1.524 -0.291) 1.702 11.300 ( -5.216 -2.351 0.077) 5.722 11.337 ( -3.744 -2.265 -4.835) 6.521 11.423 ( -6.131 -0.819 2.732) 6.762 11.563 ( -7.103 1.142 2.667) 7.672 11.774 ( -4.585 1.830 -4.020) 6.367 11.954 ( 10.096 0.549 1.933) 10.294 12.255 ( 3.666 -2.062 -0.112) 4.207 12.675 ( 0.222 -1.376 -0.319) 1.430 12.766 ( 3.295 0.030 0.816) 3.394 12.838 ( 1.408 0.614 -0.015) 1.536 12.879 ( -0.609 -1.452 0.026) 1.575 12.892 ( 0.397 -0.173 -0.845) 0.949 12.940 ( -0.820 -0.604 -0.138) 1.027 13.028 ( 0.628 1.085 -0.188) 1.268 13.052 ( 5.677 0.515 0.437) 5.717 13.121 ( -0.440 -0.801 -0.013) 0.914 13.131 ( -0.194 -0.439 1.146) 1.242 13.167 ( 2.324 0.132 -0.903) 2.497 13.303 ( -1.719 -0.597 -0.261) 1.838 13.354 ( -1.541 0.268 1.716) 2.322 13.401 ( 0.612 -0.169 0.165) 0.656 13.467 ( 0.024 -0.910 -1.048) 1.388 13.586 ( -7.783 -1.214 -2.596) 8.294 13.609 ( -0.504 -1.662 0.702) 1.873 13.687 ( 0.832 -1.497 -0.763) 1.875 13.775 ( -2.040 -0.829 2.737) 3.513 13.836 ( 1.585 1.392 0.619) 2.199 13.872 ( -0.314 1.909 -2.031) 2.805 13.908 ( 1.979 1.933 0.379) 2.793 14.000 ( 3.149 0.413 0.623) 3.236 14.024 ( 4.299 0.558 0.105) 4.336 14.210 ( -0.111 -1.669 -0.422) 1.725 14.313 ( -1.226 2.343 0.227) 2.654 14.348 ( 0.123 0.588 -0.624) 0.866 14.422 ( 0.148 -0.297 0.333) 0.470 14.869 ( 1.462 2.122 -0.411) 2.610 15.060 ( 0.469 1.149 3.738) 3.939 15.177 ( 2.553 0.096 -3.817) 4.593 15.332 ( -0.779 -1.365 0.188) 1.583 15.366 ( 1.532 -2.227 0.272) 2.717 15.402 ( 0.482 -2.205 0.096) 2.260 15.689 ( -1.483 -0.497 -0.090) 1.567 15.745 ( -0.602 0.855 -0.030) 1.045 15.913 ( 0.665 -1.117 0.131) 1.307 15.972 ( -0.576 -1.406 0.012) 1.520 16.068 ( 2.416 -0.066 0.021) 2.417 16.419 ( -2.776 -1.732 0.006) 3.272 ======================= Grid point 147 (49/72) ======================= q-point: (-0.36 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( -1.412 27.878 -4.777) 28.320 4.157 ( -6.998 22.710 8.016) 25.079 4.676 ( -9.423 15.218 1.040) 17.929 4.738 ( -8.375 22.201 -7.427) 24.864 4.973 ( -6.806 15.565 -5.189) 17.763 5.120 ( -0.611 9.659 10.876) 14.559 5.392 ( -2.192 7.037 1.334) 7.490 5.465 ( 9.984 -6.373 -5.213) 12.941 5.503 ( -11.283 17.039 10.992) 23.204 5.629 ( -5.849 23.158 -0.546) 23.891 5.712 ( 1.979 6.630 -11.591) 13.499 5.893 ( -10.697 10.893 -2.582) 15.484 5.960 ( 0.633 -0.202 -1.250) 1.415 6.080 ( -8.315 4.537 4.749) 10.596 6.147 ( -3.301 9.462 2.157) 10.251 6.205 ( -6.201 7.548 3.084) 10.244 6.265 ( 1.078 9.978 2.443) 10.329 6.325 ( -2.528 20.135 -7.592) 21.667 6.400 ( -1.212 2.308 0.420) 2.641 6.447 ( 0.492 -11.993 -1.139) 12.057 6.520 ( -5.192 11.845 0.164) 12.934 6.665 ( -6.030 16.367 -6.558) 18.635 6.765 ( 4.210 7.522 5.649) 10.306 6.860 ( -2.195 3.658 2.044) 4.730 6.962 ( 5.370 -4.769 5.046) 8.778 7.062 ( 2.848 4.639 -0.183) 5.447 7.095 ( -6.285 0.722 1.071) 6.416 7.177 ( -4.187 9.232 -0.969) 10.184 7.262 ( -1.751 2.620 -4.092) 5.165 7.313 ( -6.249 3.108 -1.715) 7.187 7.368 ( -6.383 1.221 -3.079) 7.191 7.452 ( 7.785 -6.089 3.349) 10.435 7.476 ( -1.757 6.119 1.038) 6.450 7.617 ( 1.219 4.388 0.965) 4.655 7.704 ( 1.995 1.388 -1.180) 2.702 7.723 ( 3.106 5.310 -0.400) 6.164 7.821 ( 4.604 -12.006 1.116) 12.907 7.918 ( 6.817 1.023 1.506) 7.056 8.046 ( 5.020 -10.607 5.554) 12.983 8.083 ( 1.590 -6.795 -6.985) 9.874 8.159 ( 6.079 -0.739 1.861) 6.400 8.327 ( 5.711 -4.872 -1.814) 7.723 8.333 ( 3.023 -2.708 3.643) 5.453 8.413 ( 9.803 -8.957 -0.886) 13.308 8.496 ( 5.716 -4.470 0.494) 7.272 8.565 ( 4.957 -1.006 1.780) 5.362 8.637 ( 3.544 -3.512 -4.475) 6.702 8.853 ( 4.012 -0.665 -2.073) 4.565 8.868 ( 2.528 -9.854 -3.072) 10.627 9.062 ( -2.951 1.691 -3.932) 5.199 9.149 ( 2.102 -5.010 2.962) 6.188 9.230 ( 5.457 -13.562 4.297) 15.238 9.400 ( 2.241 -6.607 -2.400) 7.378 9.518 ( 1.405 -7.446 -1.432) 7.711 9.589 ( 4.087 -1.355 9.390) 10.330 9.660 ( 0.343 -7.682 0.983) 7.752 9.808 ( 4.035 -13.280 -8.726) 16.395 9.947 ( -0.989 -1.582 10.360) 10.527 10.066 ( 5.884 -15.614 -7.015) 18.100 10.103 ( -4.199 -5.433 0.968) 6.934 10.245 ( -1.009 -8.350 -0.534) 8.428 10.386 ( -2.488 -2.450 -1.821) 3.939 10.473 ( -7.051 -2.785 -2.086) 7.863 10.553 ( -2.807 -6.222 0.325) 6.834 10.651 ( -1.434 -2.679 5.317) 6.124 10.659 ( -3.431 -1.191 -2.509) 4.414 10.695 ( -0.910 -4.017 -0.402) 4.139 10.772 ( 0.181 -2.688 -0.035) 2.694 10.850 ( -2.260 -1.205 2.069) 3.292 10.880 ( -4.956 -1.985 -1.535) 5.555 11.024 ( -3.999 1.977 -1.462) 4.695 11.059 ( -3.230 -2.956 5.261) 6.845 11.194 ( 1.565 -0.953 -1.507) 2.372 11.292 ( -4.495 -2.478 -4.322) 6.710 11.366 ( -5.609 -7.619 -0.738) 9.490 11.470 ( -2.669 -6.854 -0.758) 7.395 11.518 ( -2.849 -0.754 6.414) 7.059 11.720 ( -3.808 -1.059 -3.704) 5.416 12.067 ( 11.967 -1.877 1.101) 12.164 12.347 ( 4.290 -3.126 -0.220) 5.312 12.718 ( 2.676 -2.006 -0.677) 3.412 12.800 ( 4.335 0.218 0.965) 4.446 12.835 ( 0.904 0.862 0.507) 1.349 12.884 ( 0.489 -0.361 -0.720) 0.942 12.920 ( 0.458 -1.023 0.339) 1.171 12.947 ( 0.955 -0.497 -0.789) 1.335 13.006 ( 0.738 1.968 0.103) 2.105 13.085 ( 3.996 0.790 0.223) 4.080 13.119 ( 0.298 0.975 -0.101) 1.025 13.140 ( 0.305 -0.342 1.295) 1.373 13.184 ( 3.178 0.620 -1.245) 3.469 13.284 ( -3.204 0.375 -0.184) 3.231 13.323 ( -1.294 1.532 1.506) 2.508 13.371 ( -1.598 2.450 0.560) 2.978 13.480 ( 0.069 -0.435 -0.973) 1.068 13.524 ( -7.682 -0.088 -2.040) 7.949 13.644 ( 0.306 -0.759 0.346) 0.889 13.696 ( -1.346 0.225 0.682) 1.526 13.757 ( -3.858 0.344 -0.125) 3.875 13.820 ( -1.521 1.587 0.792) 2.337 13.841 ( 1.345 0.679 -0.579) 1.614 13.889 ( 4.413 2.493 0.081) 5.069 14.001 ( 0.786 1.481 -0.199) 1.689 14.026 ( 3.815 3.268 0.400) 5.039 14.218 ( -1.405 0.456 -0.811) 1.686 14.258 ( -1.527 1.341 0.953) 2.244 14.352 ( -1.348 -1.257 -0.331) 1.872 14.409 ( -0.414 1.575 -0.132) 1.634 14.837 ( 1.117 2.196 -0.384) 2.494 15.032 ( -1.897 1.666 3.801) 4.563 15.172 ( 3.018 2.603 -4.156) 5.758 15.305 ( -1.054 2.562 0.363) 2.794 15.431 ( 2.901 -1.496 0.903) 3.387 15.445 ( 2.675 -0.930 -0.437) 2.865 15.669 ( -2.403 0.715 0.238) 2.519 15.709 ( -2.430 1.552 -0.135) 2.886 15.913 ( 0.811 1.374 0.026) 1.596 15.971 ( -0.704 0.815 -0.032) 1.077 16.126 ( 5.139 -1.952 0.017) 5.497 16.412 ( -3.158 -0.368 0.002) 3.180 ======================= Grid point 148 (50/72) ======================= q-point: (-0.27 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -0.901 33.045 -4.333) 33.340 3.551 ( -13.499 31.659 6.582) 35.041 3.991 ( -17.652 38.038 11.598) 43.508 4.098 ( -18.795 36.548 -13.559) 43.276 4.521 ( -1.252 26.214 -5.978) 26.916 4.802 ( -12.052 30.577 8.665) 33.989 4.860 ( -7.866 37.016 -3.235) 37.981 4.987 ( -7.892 31.219 -1.051) 32.219 5.290 ( -3.604 33.038 10.982) 35.001 5.385 ( -3.382 20.251 -15.553) 25.757 5.546 ( -5.968 24.708 -0.087) 25.419 5.594 ( -4.295 7.032 7.593) 11.205 5.698 ( -3.378 14.949 -4.208) 15.893 5.789 ( -7.813 12.971 5.649) 16.162 5.879 ( -4.300 14.036 6.612) 16.100 6.001 ( -3.401 19.941 -20.785) 29.004 6.027 ( 0.087 7.853 4.833) 9.221 6.129 ( -8.691 11.005 3.651) 14.491 6.197 ( 0.828 5.419 -1.734) 5.750 6.241 ( -0.781 2.467 2.653) 3.706 6.412 ( -5.406 10.871 -1.641) 12.252 6.453 ( -2.523 8.368 5.293) 10.218 6.660 ( -3.875 12.067 0.715) 12.694 6.728 ( -3.753 0.733 -7.762) 8.653 6.851 ( -2.337 1.299 -0.643) 2.750 6.873 ( -2.740 6.883 10.729) 13.039 7.019 ( 1.115 8.165 -0.392) 8.250 7.209 ( -0.638 -6.020 -3.794) 7.145 7.254 ( -7.041 0.136 -0.851) 7.093 7.269 ( -3.755 -2.868 -1.153) 4.864 7.416 ( 0.595 -2.359 -2.105) 3.217 7.435 ( -0.762 -2.378 3.916) 4.644 7.544 ( 10.450 -14.081 0.655) 17.547 7.733 ( 3.972 -9.567 3.824) 11.042 7.837 ( 10.401 -8.623 -2.795) 13.797 7.901 ( 7.987 -8.922 -3.086) 12.366 7.937 ( 4.762 -7.471 -1.091) 8.926 8.151 ( 2.361 -12.543 6.326) 14.245 8.170 ( 6.805 -5.257 -9.388) 12.731 8.275 ( 6.047 -7.584 6.914) 11.912 8.354 ( 1.522 -13.785 0.046) 13.869 8.415 ( 3.344 -8.227 3.862) 9.684 8.497 ( 3.729 -5.501 -6.152) 9.056 8.532 ( 3.464 -3.585 -2.933) 5.784 8.653 ( 3.571 -7.700 1.400) 8.602 8.715 ( 5.526 -5.422 -2.981) 8.295 8.828 ( 6.441 -12.272 10.746) 17.538 8.916 ( -2.395 -1.674 -8.176) 8.682 9.113 ( 5.318 -9.814 0.820) 11.192 9.150 ( 3.198 -8.175 -2.431) 9.109 9.334 ( 1.650 -9.882 -0.125) 10.019 9.422 ( 1.303 -7.226 4.832) 8.790 9.532 ( 3.011 -6.705 -0.016) 7.350 9.600 ( -1.328 -3.445 9.331) 10.035 9.691 ( 3.032 -0.414 -8.271) 8.819 9.832 ( 1.305 -13.617 -2.887) 13.980 9.915 ( -0.018 -6.151 0.516) 6.173 10.046 ( -1.862 -7.942 2.059) 8.413 10.205 ( 0.138 -5.602 -0.962) 5.685 10.379 ( 1.423 -3.495 -2.789) 4.692 10.433 ( -8.571 -0.278 -2.464) 8.922 10.446 ( -1.756 -5.436 2.350) 6.177 10.548 ( 6.547 -19.192 -0.144) 20.278 10.647 ( -0.155 -5.100 0.579) 5.135 10.704 ( 0.326 -5.666 1.464) 5.861 10.749 ( -0.496 -11.654 -2.163) 11.864 10.778 ( -0.611 -4.702 4.050) 6.236 10.847 ( -3.364 -4.357 0.372) 5.518 10.887 ( -0.459 -4.638 -0.347) 4.674 10.891 ( -0.499 -4.489 -2.110) 4.986 10.974 ( -4.551 -1.367 0.701) 4.803 11.098 ( -6.219 -6.740 2.216) 9.434 11.268 ( 2.980 -6.413 -1.191) 7.171 11.335 ( -0.938 -5.821 -3.072) 6.648 11.526 ( -1.352 -12.570 -0.951) 12.679 11.554 ( -4.311 -8.822 2.312) 10.087 11.614 ( 3.056 -7.481 2.603) 8.490 11.747 ( -2.212 -4.803 -2.331) 5.778 12.216 ( 11.068 -2.961 0.424) 11.465 12.418 ( 0.948 -2.068 -0.194) 2.283 12.785 ( 3.503 -2.034 -0.868) 4.143 12.819 ( 1.349 0.882 -0.100) 1.615 12.831 ( 2.606 0.883 0.901) 2.896 12.904 ( 1.335 -0.731 -0.560) 1.622 12.924 ( 0.548 0.904 -0.109) 1.063 12.950 ( -1.224 1.142 1.126) 2.018 12.997 ( 4.343 0.632 -0.455) 4.413 13.085 ( 0.982 2.173 1.029) 2.597 13.101 ( 1.804 1.413 -0.816) 2.432 13.149 ( 0.710 0.215 1.116) 1.340 13.188 ( 1.857 1.985 -1.115) 2.938 13.223 ( -3.465 2.377 -0.014) 4.202 13.287 ( -2.712 1.382 0.868) 3.165 13.322 ( 1.336 1.619 -0.649) 2.197 13.459 ( -4.495 -0.033 -0.363) 4.510 13.492 ( 0.651 0.190 -0.295) 0.739 13.613 ( -1.257 3.033 -1.053) 3.448 13.653 ( -4.836 1.703 2.955) 5.918 13.699 ( -3.447 1.919 -2.497) 4.669 13.756 ( -4.266 1.825 0.965) 4.739 13.851 ( 5.103 3.297 -0.087) 6.076 13.914 ( 3.631 -1.004 0.126) 3.770 13.953 ( 0.139 4.097 0.024) 4.100 13.993 ( 0.948 2.220 -0.172) 2.420 14.173 ( 0.393 3.310 0.606) 3.388 14.238 ( -2.472 -0.391 -0.438) 2.541 14.353 ( -1.440 1.667 -1.242) 2.529 14.374 ( -2.455 -1.086 0.962) 2.851 14.821 ( 2.600 1.242 -0.581) 2.939 14.972 ( -4.094 2.139 2.973) 5.493 15.139 ( 3.613 3.924 -3.597) 6.433 15.228 ( -1.103 4.936 1.361) 5.238 15.467 ( 2.936 0.199 -0.965) 3.097 15.475 ( 3.008 0.442 0.815) 3.147 15.626 ( -2.357 1.765 0.985) 3.104 15.653 ( -3.132 1.772 -0.788) 3.684 15.888 ( 1.382 2.326 -0.016) 2.706 15.934 ( -0.849 2.372 0.025) 2.520 16.204 ( 5.536 -1.096 -0.051) 5.644 16.378 ( -3.322 0.997 0.041) 3.469 ======================= Grid point 149 (51/72) ======================= q-point: (-0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 2.330 34.902 -3.879) 35.194 2.831 ( -16.081 34.138 5.474) 38.131 3.122 ( -9.836 43.943 14.081) 47.181 3.202 ( -15.593 43.263 -15.229) 48.444 3.943 ( -0.408 43.735 17.277) 47.026 4.048 ( -3.267 40.950 -25.501) 48.351 4.097 ( -10.639 34.857 2.561) 36.534 4.204 ( -16.303 40.320 2.108) 43.543 4.508 ( -4.767 41.685 16.696) 45.156 4.559 ( -8.070 41.771 -16.654) 45.687 5.249 ( -1.481 23.730 9.332) 25.543 5.270 ( -2.864 24.659 -6.775) 25.733 5.337 ( -7.069 22.457 -15.782) 28.344 5.347 ( -9.811 19.803 14.088) 26.209 5.582 ( 1.467 19.800 2.031) 19.957 5.658 ( -6.810 22.188 -1.468) 23.256 5.823 ( 6.117 1.592 -10.537) 12.287 5.934 ( -7.514 3.215 15.028) 17.107 6.093 ( -4.228 12.275 6.856) 14.682 6.109 ( -6.357 12.875 -4.222) 14.967 6.255 ( 4.289 1.163 -16.401) 16.993 6.272 ( -2.586 10.388 22.487) 24.905 6.557 ( 6.769 -1.969 -11.873) 13.809 6.685 ( -5.423 -3.998 -4.195) 7.937 6.793 ( -1.024 0.597 9.944) 10.014 6.846 ( -3.315 -0.747 -5.239) 6.244 6.980 ( 10.109 0.716 0.899) 10.174 7.183 ( -11.525 -1.414 -0.818) 11.640 7.375 ( 2.749 -10.886 -1.309) 11.304 7.395 ( 1.282 -11.140 -0.578) 11.229 7.563 ( 4.156 -11.979 -1.498) 12.768 7.598 ( 1.038 -10.951 3.434) 11.524 7.873 ( 5.851 -12.052 -0.281) 13.401 7.908 ( 4.853 -7.187 -3.515) 9.358 8.073 ( 5.108 -8.937 1.609) 10.419 8.123 ( 2.790 -10.220 -1.107) 10.651 8.197 ( 9.798 -11.013 1.523) 14.820 8.321 ( -3.588 -8.323 -0.654) 9.087 8.358 ( 9.844 -5.515 -1.685) 11.409 8.460 ( -1.136 -7.398 6.244) 9.748 8.561 ( 1.158 -8.141 5.145) 9.700 8.615 ( -3.627 -8.449 -6.570) 11.300 8.651 ( 5.603 -11.329 -2.747) 12.934 8.695 ( 1.552 -12.623 -0.435) 12.725 8.806 ( 2.943 -5.132 5.890) 8.348 8.844 ( 0.048 -5.666 -1.218) 5.795 8.938 ( 4.749 -1.799 -6.461) 8.219 9.049 ( -4.113 -7.993 6.054) 10.838 9.262 ( 4.081 -3.982 -1.185) 5.824 9.291 ( -0.252 -5.587 -0.644) 5.630 9.457 ( 2.872 -3.743 2.763) 5.467 9.518 ( -2.130 -4.035 -3.294) 5.628 9.631 ( 1.620 -5.463 10.147) 11.637 9.690 ( -2.225 -3.050 -9.455) 10.181 9.876 ( 6.024 -14.596 -9.238) 18.294 9.974 ( -6.484 -10.005 11.111) 16.297 10.156 ( 2.681 -11.210 -1.886) 11.680 10.171 ( 0.552 -6.819 2.129) 7.164 10.272 ( 2.359 -1.203 -1.754) 3.176 10.345 ( -5.593 0.976 -2.481) 6.196 10.455 ( -0.504 -4.523 -1.508) 4.794 10.473 ( -2.822 -2.101 1.588) 3.860 10.732 ( 1.005 -3.989 4.759) 6.291 10.748 ( 1.429 -3.061 -3.136) 4.609 10.782 ( 0.410 -2.518 2.085) 3.294 10.847 ( -6.419 -1.540 -1.990) 6.895 10.893 ( 2.534 -5.313 3.275) 6.737 10.923 ( 0.203 -4.727 -4.264) 6.370 10.972 ( -0.509 -5.568 2.015) 5.943 10.993 ( -2.417 -7.425 -0.236) 7.812 11.108 ( 4.394 -8.728 -3.372) 10.337 11.175 ( -2.996 -4.975 2.529) 6.334 11.509 ( 3.210 -16.529 -0.478) 16.845 11.550 ( -1.204 -19.366 -0.136) 19.404 11.715 ( 4.239 -8.933 0.878) 9.927 11.782 ( -2.677 -14.153 0.626) 14.417 11.799 ( 1.702 -10.626 -1.230) 10.832 11.851 ( -2.274 -10.221 0.463) 10.482 12.352 ( 7.781 -2.552 -0.111) 8.189 12.439 ( -2.006 -1.010 0.059) 2.246 12.807 ( 1.216 1.155 -0.194) 1.689 12.821 ( 0.034 0.703 0.286) 0.760 12.851 ( 3.752 0.142 -0.516) 3.790 12.890 ( 0.066 2.548 -0.461) 2.590 12.912 ( -0.687 0.782 0.438) 1.130 12.923 ( -0.469 1.242 0.429) 1.395 13.023 ( 4.397 1.139 -1.089) 4.671 13.042 ( 1.326 3.050 1.529) 3.660 13.084 ( -0.738 1.600 -1.308) 2.195 13.107 ( -2.674 2.925 1.088) 4.110 13.158 ( 0.035 1.097 1.684) 2.010 13.169 ( -0.370 1.990 -1.521) 2.532 13.259 ( 1.585 1.415 2.058) 2.958 13.301 ( -1.241 1.201 -3.295) 3.720 13.456 ( 2.252 -0.663 -0.149) 2.352 13.485 ( 2.088 1.959 1.880) 3.425 13.538 ( -2.412 3.046 -2.672) 4.715 13.568 ( -7.151 1.433 3.061) 7.910 13.648 ( -0.048 1.434 -2.044) 2.498 13.689 ( -3.787 1.801 0.628) 4.240 13.815 ( 3.983 4.813 -0.066) 6.248 13.867 ( -1.879 4.477 0.245) 4.862 13.933 ( 1.432 1.401 0.595) 2.089 13.959 ( -1.136 1.890 -1.234) 2.527 14.128 ( 3.166 3.540 4.814) 6.762 14.201 ( -3.709 2.299 -5.734) 7.205 14.324 ( 2.101 -0.105 1.540) 2.607 14.381 ( -3.953 -2.057 -0.088) 4.457 14.833 ( 3.369 0.541 -1.234) 3.629 14.900 ( -4.240 1.590 2.184) 5.028 15.091 ( 2.456 4.004 -2.194) 5.185 15.123 ( -1.227 5.181 1.414) 5.509 15.470 ( 2.172 1.847 -0.439) 2.885 15.483 ( 1.195 1.134 0.224) 1.663 15.573 ( -0.686 2.366 0.622) 2.541 15.593 ( -2.508 1.984 -0.459) 3.230 15.856 ( 1.448 2.435 0.079) 2.834 15.879 ( -0.957 2.668 -0.080) 2.836 16.253 ( 4.432 0.600 -0.204) 4.477 16.321 ( -3.201 1.925 0.199) 3.740 ======================= Grid point 151 (52/72) ======================= q-point: (-0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 4.690 36.723 -20.824) 42.476 2.065 ( -4.690 36.723 20.824) 42.476 2.314 ( -2.172 43.065 -18.961) 47.105 2.314 ( 2.172 43.065 18.961) 47.105 3.063 ( -6.291 51.074 -42.183) 66.540 3.063 ( 6.291 51.074 42.183) 66.540 3.555 ( 2.609 24.942 -23.192) 34.158 3.555 ( -2.609 24.942 23.192) 34.158 3.818 ( -1.909 33.915 -22.153) 40.554 3.818 ( 1.909 33.915 22.153) 40.554 4.780 ( 0.384 24.416 -14.151) 28.223 4.780 ( -0.384 24.416 14.151) 28.223 4.956 ( 1.909 17.267 -19.737) 26.293 4.956 ( -1.909 17.267 19.737) 26.293 5.194 ( 1.776 21.785 -4.355) 22.287 5.194 ( -1.776 21.785 4.355) 22.287 5.770 ( -0.257 10.636 -21.200) 23.719 5.770 ( 0.257 10.636 21.200) 23.719 5.922 ( -3.469 5.273 -18.043) 19.115 5.922 ( 3.469 5.273 18.043) 19.115 6.180 ( -1.620 0.704 -17.354) 17.443 6.180 ( 1.620 0.704 17.354) 17.443 6.732 ( 9.597 -6.168 -6.670) 13.215 6.732 ( -9.597 -6.168 6.670) 13.215 6.838 ( -3.566 -2.702 -3.811) 5.878 6.838 ( 3.566 -2.702 3.811) 5.878 7.094 ( -10.021 -0.863 -1.900) 10.236 7.094 ( 10.021 -0.863 1.900) 10.236 7.617 ( 2.023 -11.886 -1.764) 12.186 7.617 ( -2.023 -11.886 1.764) 12.186 7.795 ( 2.008 -9.812 -4.625) 11.032 7.795 ( -2.008 -9.812 4.625) 11.032 8.065 ( 5.038 -6.401 -9.397) 12.436 8.065 ( -5.038 -6.401 9.397) 12.436 8.252 ( -4.718 -5.632 -1.857) 7.577 8.252 ( 4.718 -5.632 1.857) 7.577 8.429 ( -2.951 -7.477 -1.762) 8.229 8.429 ( 2.951 -7.477 1.762) 8.229 8.533 ( -6.827 -5.081 -2.013) 8.745 8.533 ( 6.827 -5.081 2.013) 8.745 8.711 ( -2.788 -5.483 -10.020) 11.758 8.711 ( 2.788 -5.483 10.020) 11.758 8.859 ( -0.712 -4.928 -5.679) 7.553 8.859 ( 0.712 -4.928 5.679) 7.553 8.963 ( -2.892 -10.957 -2.017) 11.511 8.963 ( 2.892 -10.957 2.017) 11.511 9.056 ( -7.495 -3.562 -3.991) 9.209 9.056 ( 7.495 -3.562 3.991) 9.209 9.371 ( -0.188 -4.098 -1.822) 4.489 9.371 ( 0.188 -4.098 1.822) 4.489 9.564 ( -3.207 -4.031 -5.446) 7.495 9.564 ( 3.207 -4.031 5.446) 7.495 9.725 ( -0.694 -3.350 -6.523) 7.365 9.725 ( 0.694 -3.350 6.523) 7.365 10.107 ( 1.565 -6.249 -4.158) 7.667 10.107 ( -1.565 -6.249 4.158) 7.667 10.269 ( -3.430 -1.242 -1.624) 3.993 10.269 ( 3.430 -1.242 1.624) 3.993 10.348 ( -0.873 -7.088 -6.845) 9.893 10.348 ( 0.873 -7.088 6.845) 9.893 10.540 ( -3.168 -5.645 -1.091) 6.565 10.540 ( 3.168 -5.645 1.091) 6.565 10.796 ( -0.053 -2.356 -3.965) 4.613 10.796 ( 0.053 -2.356 3.965) 4.613 10.832 ( 1.688 -2.127 -7.835) 8.292 10.832 ( -1.688 -2.127 7.835) 8.292 10.960 ( 0.346 -1.152 -3.647) 3.840 10.960 ( -0.346 -1.152 3.647) 3.840 11.117 ( -1.535 -7.530 -1.508) 7.832 11.117 ( 1.535 -7.530 1.508) 7.832 11.229 ( -1.160 -3.614 -1.161) 3.969 11.229 ( 1.160 -3.614 1.161) 3.969 11.831 ( 4.725 -10.454 -6.223) 13.052 11.831 ( -4.725 -10.454 6.223) 13.052 11.942 ( -0.961 -12.527 -4.742) 13.429 11.942 ( 0.961 -12.527 4.742) 13.429 12.060 ( -4.285 -12.910 -0.701) 13.621 12.060 ( 4.285 -12.910 0.701) 13.621 12.431 ( -0.287 -0.857 -2.770) 2.913 12.431 ( 0.287 -0.857 2.770) 2.913 12.791 ( 0.039 2.089 -1.263) 2.442 12.791 ( -0.039 2.089 1.263) 2.442 12.837 ( 0.253 3.666 -0.183) 3.679 12.837 ( -0.253 3.666 0.183) 3.679 12.885 ( 0.825 1.659 -0.845) 2.036 12.885 ( -0.825 1.659 0.845) 2.036 13.019 ( -1.251 1.241 -2.709) 3.232 13.019 ( 1.251 1.241 2.709) 3.232 13.040 ( 0.233 2.133 -1.479) 2.606 13.040 ( -0.233 2.133 1.479) 2.606 13.142 ( -0.511 1.059 -2.086) 2.395 13.142 ( 0.511 1.059 2.086) 2.395 13.254 ( -3.585 1.278 -3.993) 5.516 13.254 ( 3.585 1.278 3.993) 5.516 13.456 ( -1.710 3.216 -4.079) 5.469 13.456 ( 1.710 3.216 4.079) 5.469 13.516 ( -0.027 -1.604 -2.221) 2.739 13.516 ( 0.027 -1.604 2.221) 2.739 13.631 ( -0.070 1.677 -1.730) 2.411 13.631 ( 0.070 1.677 1.730) 2.411 13.760 ( -1.319 4.516 -3.007) 5.584 13.760 ( 1.319 4.516 3.007) 5.584 13.915 ( -0.559 1.232 -0.212) 1.370 13.915 ( 0.559 1.232 0.212) 1.370 14.096 ( -4.670 4.180 -5.618) 8.417 14.096 ( 4.670 4.180 5.618) 8.417 14.378 ( -3.734 -1.752 -0.101) 4.126 14.378 ( 3.734 -1.752 0.101) 4.126 14.851 ( 1.197 0.539 -4.683) 4.863 14.851 ( -1.197 0.539 4.683) 4.863 15.040 ( 0.514 2.826 -0.979) 3.035 15.040 ( -0.514 2.826 0.979) 3.035 15.448 ( -1.236 2.113 -0.221) 2.458 15.448 ( 1.236 2.113 0.221) 2.458 15.537 ( -1.555 2.361 -0.157) 2.831 15.537 ( 1.555 2.361 0.157) 2.831 15.833 ( -0.798 1.172 -0.546) 1.519 15.833 ( 0.798 1.172 0.546) 1.519 16.260 ( -0.155 1.921 -2.215) 2.937 16.260 ( 0.155 1.921 2.215) 2.937 ======================= Grid point 155 (53/72) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 32.517 0.000 -38.704) 50.550 2.299 ( 50.308 0.000 -7.853) 50.917 2.422 ( 38.316 0.000 27.459) 47.139 2.517 ( 47.925 0.000 16.052) 50.542 3.185 ( 72.055 0.000 -21.718) 75.257 3.598 ( 62.050 0.000 43.531) 75.797 3.613 ( 30.843 0.000 -27.376) 41.240 3.718 ( 32.848 0.000 8.658) 33.969 3.975 ( 38.074 0.000 28.991) 47.855 4.042 ( 37.582 0.000 -14.714) 40.360 4.686 ( 22.361 0.000 -13.267) 26.001 4.692 ( 20.118 0.000 11.988) 23.419 5.060 ( 18.210 0.000 -3.283) 18.503 5.082 ( 17.875 0.000 3.839) 18.283 5.294 ( 32.666 0.000 -22.346) 39.577 5.339 ( 28.921 0.000 27.232) 39.724 5.552 ( 11.403 0.000 -57.763) 58.878 5.879 ( -4.692 -0.000 -0.859) 4.770 6.050 ( -7.003 -0.000 18.775) 20.038 6.198 ( 21.094 0.000 -9.142) 22.990 6.226 ( 24.182 0.000 7.656) 25.365 6.321 ( -11.370 -0.000 0.310) 11.374 6.358 ( -6.528 -0.000 -5.199) 8.345 6.578 ( -0.857 -0.000 16.670) 16.692 6.658 ( 3.850 0.000 13.319) 13.865 6.913 ( -4.761 -0.000 4.899) 6.831 7.218 ( -21.364 -0.000 -7.659) 22.696 7.229 ( -23.159 -0.000 5.789) 23.872 7.294 ( 5.762 0.000 6.938) 9.019 7.586 ( -16.155 -0.000 -5.663) 17.119 7.596 ( 1.410 0.000 -12.766) 12.844 7.694 ( -13.484 -0.000 -0.012) 13.484 7.908 ( -24.950 -0.000 11.820) 27.608 8.036 ( -19.212 -0.000 -6.580) 20.308 8.044 ( -10.399 -0.000 6.525) 12.276 8.150 ( -20.199 -0.000 -0.607) 20.209 8.257 ( -3.766 -0.000 -16.085) 16.520 8.285 ( -14.773 -0.000 6.617) 16.187 8.364 ( 1.453 0.000 -4.484) 4.714 8.414 ( -1.394 -0.000 5.714) 5.882 8.710 ( 1.993 0.000 3.648) 4.157 8.800 ( 0.440 0.000 -14.323) 14.330 8.880 ( -7.780 -0.000 -1.100) 7.858 8.886 ( 1.598 0.000 -1.054) 1.915 8.960 ( -2.560 -0.000 1.766) 3.110 9.222 ( -0.432 -0.000 2.969) 3.000 9.277 ( -2.938 -0.000 -4.649) 5.499 9.293 ( 0.623 0.000 12.164) 12.180 9.516 ( -1.717 -0.000 -0.104) 1.720 9.549 ( -2.921 -0.000 3.721) 4.731 9.669 ( -1.301 -0.000 -2.812) 3.099 9.674 ( -1.329 -0.000 -2.593) 2.914 9.801 ( 0.224 0.000 -1.554) 1.570 9.811 ( -1.855 -0.000 0.758) 2.004 10.099 ( -1.981 -0.000 7.336) 7.599 10.160 ( -6.942 -0.000 12.753) 14.520 10.188 ( -8.180 -0.000 -8.337) 11.680 10.324 ( 3.065 0.000 -9.107) 9.609 10.472 ( -3.867 -0.000 1.892) 4.305 10.541 ( -1.211 -0.000 0.836) 1.472 10.629 ( -1.243 -0.000 -0.879) 1.522 10.695 ( -2.334 -0.000 -1.252) 2.649 10.794 ( -2.567 -0.000 -3.094) 4.020 10.826 ( -5.435 -0.000 2.342) 5.919 10.905 ( -2.570 -0.000 -0.532) 2.625 10.951 ( 4.052 0.000 6.311) 7.500 11.086 ( -2.555 -0.000 -7.348) 7.780 11.107 ( 4.314 0.000 -1.680) 4.630 11.232 ( 0.647 0.000 1.650) 1.773 11.310 ( -0.889 -0.000 7.150) 7.205 11.349 ( -3.667 -0.000 -5.352) 6.488 11.447 ( -1.952 -0.000 1.697) 2.587 11.450 ( -0.479 -0.000 0.104) 0.490 11.664 ( -14.344 -0.000 3.171) 14.691 11.664 ( -14.450 -0.000 1.874) 14.571 11.932 ( -11.832 -0.000 -3.258) 12.272 12.141 ( -8.265 -0.000 -9.194) 12.362 12.184 ( -9.296 -0.000 4.875) 10.497 12.348 ( -6.974 -0.000 2.354) 7.360 12.441 ( -4.432 -0.000 -1.003) 4.544 12.694 ( -0.496 -0.000 -1.286) 1.378 12.742 ( 1.935 0.000 0.156) 1.941 12.761 ( -0.852 -0.000 1.945) 2.123 12.762 ( 1.653 0.000 -0.203) 1.665 12.779 ( 1.741 0.000 -1.171) 2.098 12.814 ( -0.616 -0.000 1.587) 1.703 12.981 ( 0.769 0.000 -4.148) 4.219 12.982 ( 1.677 0.000 0.762) 1.842 13.026 ( 1.432 0.000 0.483) 1.512 13.070 ( -0.088 -0.000 2.774) 2.775 13.151 ( 2.648 0.000 2.757) 3.822 13.168 ( 1.242 0.000 -1.897) 2.268 13.181 ( 2.377 0.000 -1.287) 2.703 13.322 ( 3.785 0.000 -2.474) 4.522 13.365 ( 0.317 0.000 1.172) 1.214 13.424 ( -1.202 -0.000 -0.555) 1.324 13.460 ( 1.019 0.000 1.327) 1.673 13.518 ( -1.120 -0.000 0.512) 1.231 13.671 ( 3.056 0.000 1.635) 3.465 13.673 ( 1.528 0.000 -1.495) 2.137 13.825 ( 6.183 0.000 2.809) 6.791 13.837 ( 3.760 0.000 -4.486) 5.853 13.952 ( 3.412 0.000 1.201) 3.617 14.019 ( -1.258 -0.000 -5.422) 5.566 14.116 ( 4.289 0.000 6.099) 7.456 14.118 ( 2.752 0.000 1.067) 2.952 14.404 ( -0.209 -0.000 -1.944) 1.955 14.477 ( -0.172 -0.000 1.074) 1.088 14.813 ( -0.825 -0.000 0.509) 0.969 14.870 ( 0.947 0.000 -0.101) 0.952 14.996 ( 0.443 0.000 -1.472) 1.537 15.025 ( 0.264 0.000 2.155) 2.171 15.397 ( -1.106 -0.000 -1.144) 1.591 15.419 ( 0.736 0.000 4.120) 4.185 15.487 ( 2.573 0.000 -3.964) 4.726 15.584 ( 0.440 0.000 0.368) 0.574 15.784 ( -0.714 -0.000 0.110) 0.722 15.868 ( -2.354 -0.000 -2.710) 3.590 16.179 ( -0.558 -0.000 -0.345) 0.656 16.257 ( 1.451 0.000 0.121) 1.456 ======================= Grid point 156 (54/72) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 34.038 -9.334 -23.986) 42.673 2.834 ( 34.614 -10.495 23.866) 43.334 2.929 ( 45.180 -19.237 -10.135) 50.140 3.174 ( 45.370 -21.879 15.078) 52.578 3.933 ( 66.261 -13.422 -14.017) 69.045 3.985 ( 30.971 -10.831 -22.377) 39.715 4.074 ( 30.357 -11.074 7.600) 33.195 4.323 ( 58.611 -10.763 27.586) 65.666 4.424 ( 38.517 -10.073 15.868) 42.858 4.440 ( 33.718 -11.494 -1.713) 35.665 4.953 ( 21.430 -9.397 -0.820) 23.414 5.016 ( 24.317 -11.267 -1.098) 26.822 5.264 ( 16.372 -7.293 -1.069) 17.955 5.376 ( 16.892 -12.014 0.652) 20.739 5.618 ( 16.350 -4.716 10.083) 19.779 5.642 ( 32.554 -6.759 -18.648) 38.121 5.717 ( 18.653 -4.500 -23.792) 30.565 5.832 ( 1.586 0.059 -16.095) 16.173 5.942 ( -9.937 0.022 9.787) 13.947 6.100 ( -17.230 2.300 0.019) 17.382 6.343 ( -8.763 -6.862 8.480) 13.992 6.453 ( 12.623 0.688 -8.716) 15.356 6.529 ( 26.699 -3.956 -8.879) 28.414 6.597 ( 16.173 -1.439 4.359) 16.811 6.800 ( 17.133 -0.881 29.478) 34.106 6.870 ( -6.718 -0.483 6.337) 9.248 7.009 ( -20.823 -0.674 -5.179) 21.468 7.068 ( -18.060 -2.835 6.790) 19.501 7.328 ( 1.657 2.514 1.629) 3.424 7.393 ( -14.947 3.983 -2.103) 15.611 7.488 ( -16.415 0.426 -6.511) 17.664 7.615 ( -18.512 6.289 2.720) 19.739 7.658 ( -2.263 -0.551 -0.742) 2.444 7.873 ( -19.050 1.994 -6.507) 20.230 7.916 ( -7.809 9.658 6.688) 14.106 7.987 ( -16.005 -2.553 6.711) 17.542 8.084 ( -12.476 2.369 -2.661) 12.975 8.180 ( -7.185 5.098 -4.721) 9.995 8.328 ( 2.643 4.359 -5.591) 7.566 8.443 ( -1.401 -0.227 5.755) 5.928 8.665 ( -4.760 7.488 -10.951) 14.094 8.729 ( -0.519 1.470 0.488) 1.633 8.805 ( -6.126 2.987 -3.535) 7.678 8.872 ( 0.009 2.881 -2.650) 3.915 8.961 ( -1.928 0.941 -0.107) 2.148 9.130 ( -3.136 5.894 2.906) 7.281 9.233 ( -0.893 1.928 -1.979) 2.904 9.308 ( -4.421 6.476 4.770) 9.178 9.359 ( 0.729 4.735 6.969) 8.457 9.480 ( -4.440 5.484 0.323) 7.064 9.601 ( -5.189 2.360 -3.200) 6.537 9.642 ( -3.544 7.743 -0.909) 8.564 9.711 ( -4.946 0.895 0.560) 5.058 9.793 ( -2.212 3.244 -0.608) 3.973 10.059 ( -4.467 -0.340 3.049) 5.419 10.080 ( -10.235 1.712 9.183) 13.857 10.194 ( -7.199 -6.668 -1.197) 9.885 10.289 ( 0.644 5.691 -7.732) 9.622 10.401 ( -1.534 4.879 0.884) 5.190 10.503 ( -1.993 2.850 0.188) 3.483 10.571 ( -1.495 4.474 -0.634) 4.760 10.650 ( -6.571 2.367 1.597) 7.164 10.739 ( -4.626 2.645 -2.712) 5.979 10.759 ( -5.234 4.095 -3.238) 7.392 10.828 ( -5.286 -1.845 -0.061) 5.599 10.955 ( -0.605 1.977 2.652) 3.363 10.986 ( -0.299 6.226 -1.162) 6.340 11.107 ( 4.352 4.008 -1.999) 6.245 11.174 ( -0.350 7.028 3.197) 7.729 11.227 ( -1.939 5.349 0.587) 5.720 11.317 ( 3.564 0.609 2.431) 4.357 11.365 ( 1.369 6.698 -2.724) 7.359 11.486 ( -11.821 1.868 1.227) 12.031 11.520 ( -10.520 -0.706 1.396) 10.636 11.612 ( -11.812 -4.727 -1.290) 12.788 11.845 ( -12.895 0.434 -0.014) 12.903 12.061 ( -9.070 2.292 0.723) 9.383 12.110 ( -10.770 -1.687 -2.592) 11.205 12.248 ( -7.150 3.993 0.222) 8.193 12.394 ( -6.200 0.267 0.187) 6.209 12.688 ( -0.491 -0.691 -0.362) 0.921 12.742 ( -2.407 0.277 1.108) 2.664 12.757 ( -0.014 -1.059 -1.007) 1.462 12.775 ( 0.804 0.909 0.379) 1.271 12.822 ( 2.100 -1.409 -0.841) 2.666 12.833 ( 1.787 -1.603 1.273) 2.718 12.984 ( 0.830 -0.147 -2.182) 2.339 12.999 ( 1.376 -0.187 0.673) 1.543 13.071 ( 1.713 -2.598 0.601) 3.170 13.083 ( 0.586 -1.788 0.709) 2.010 13.142 ( 2.236 2.316 0.777) 3.312 13.187 ( 1.794 -0.347 -1.151) 2.160 13.207 ( 3.455 0.293 0.472) 3.499 13.360 ( 0.308 0.836 0.744) 1.160 13.380 ( 3.318 -2.095 -2.087) 4.445 13.427 ( 1.745 -0.596 -0.724) 1.981 13.485 ( 0.868 -1.603 0.477) 1.884 13.535 ( -0.473 -2.321 1.502) 2.805 13.696 ( 1.374 -1.340 -0.865) 2.105 13.728 ( 2.474 -2.784 1.178) 3.906 13.829 ( 4.918 1.886 -0.922) 5.347 13.916 ( 5.020 -1.681 0.847) 5.361 13.966 ( 0.571 0.989 -0.381) 1.204 14.008 ( 3.007 0.636 -1.889) 3.608 14.095 ( 1.249 2.452 0.334) 2.772 14.176 ( 2.923 -2.220 1.987) 4.174 14.387 ( 0.585 1.910 -0.842) 2.167 14.464 ( -0.567 0.580 0.480) 0.942 14.816 ( 0.332 -0.842 -0.510) 1.039 14.900 ( 0.779 -2.442 0.088) 2.564 15.003 ( 0.234 -1.068 0.482) 1.195 15.054 ( 1.013 -2.093 1.058) 2.555 15.362 ( -2.078 1.598 0.502) 2.669 15.423 ( -1.059 0.931 0.890) 1.667 15.522 ( 2.168 -1.916 -3.679) 4.680 15.603 ( 0.514 -2.049 1.474) 2.576 15.786 ( -0.562 -0.693 0.556) 1.051 15.825 ( -1.088 1.518 -1.363) 2.312 16.174 ( -0.030 0.568 -1.066) 1.209 16.272 ( 0.734 -0.663 1.010) 1.414 ======================= Grid point 157 (55/72) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 32.123 -16.087 -8.537) 36.927 3.382 ( 32.216 -16.176 7.370) 36.795 3.718 ( 33.328 -28.753 -3.003) 44.119 4.020 ( 37.184 -29.118 12.492) 48.853 4.420 ( 27.194 -10.255 -10.474) 30.893 4.566 ( 29.850 -10.880 8.604) 32.916 4.689 ( 34.267 -18.117 -15.018) 41.569 4.880 ( 31.003 -12.980 -13.013) 36.041 4.977 ( 35.040 -17.741 16.413) 42.567 5.165 ( 42.363 -18.282 19.329) 50.024 5.361 ( 17.127 -14.887 1.471) 22.740 5.448 ( 20.801 -13.243 -4.192) 25.012 5.573 ( 10.748 -8.237 -3.220) 13.919 5.647 ( -0.128 -5.433 -1.622) 5.672 5.687 ( -7.691 -2.758 6.212) 10.264 5.808 ( 4.145 -10.147 0.958) 11.002 5.937 ( -12.351 -3.511 -1.875) 12.976 5.996 ( 12.702 -4.477 16.712) 21.463 6.092 ( 26.186 -9.956 -12.636) 30.733 6.135 ( 21.618 -9.812 -33.701) 41.223 6.397 ( -0.775 0.671 0.148) 1.036 6.491 ( 7.414 -6.573 -4.719) 10.975 6.737 ( 4.212 -1.150 3.509) 5.602 6.802 ( -8.255 -2.409 6.651) 10.872 6.848 ( -7.535 -3.783 3.768) 9.234 6.880 ( 20.185 -3.693 -4.223) 20.950 7.044 ( 9.303 -2.753 10.379) 14.207 7.123 ( 8.333 -7.160 9.076) 14.251 7.143 ( -9.085 0.995 -3.319) 9.724 7.316 ( -8.342 -1.299 -3.634) 9.191 7.403 ( 0.508 4.664 -1.048) 4.807 7.420 ( -5.672 -0.633 3.785) 6.848 7.574 ( -10.474 12.575 6.161) 17.487 7.639 ( -2.173 3.506 -5.396) 6.792 7.742 ( -6.087 1.369 -1.766) 6.484 7.869 ( -10.021 3.167 1.233) 10.582 7.984 ( -6.475 0.309 7.329) 9.784 8.048 ( -9.080 -0.731 2.051) 9.338 8.213 ( -0.406 9.925 -4.660) 10.972 8.358 ( -4.851 6.583 2.225) 8.475 8.492 ( -1.010 6.925 -5.230) 8.736 8.587 ( -6.675 8.678 -6.375) 12.669 8.685 ( -4.831 9.300 -2.606) 10.799 8.724 ( -4.177 8.585 -4.849) 10.708 8.891 ( 0.111 4.622 1.321) 4.808 9.003 ( -9.074 12.428 2.103) 15.531 9.037 ( 1.808 7.801 1.963) 8.245 9.153 ( -4.469 8.529 -1.200) 9.703 9.263 ( -2.613 4.879 -1.611) 5.764 9.362 ( -2.776 9.817 4.862) 11.301 9.437 ( -5.611 6.205 -0.236) 8.369 9.525 ( -8.358 -1.664 1.622) 8.675 9.639 ( -5.336 7.900 -4.418) 10.507 9.664 ( -1.678 1.753 1.997) 3.143 9.919 ( -12.112 6.276 7.597) 15.614 10.044 ( -5.201 4.182 1.596) 6.862 10.113 ( -0.336 5.464 -1.348) 5.638 10.242 ( -3.034 -1.332 -3.268) 4.654 10.324 ( -4.970 0.267 1.572) 5.220 10.367 ( -4.569 8.993 -0.969) 10.134 10.455 ( -2.793 5.930 -2.395) 6.979 10.528 ( -8.796 1.111 -0.093) 8.866 10.657 ( -7.505 1.029 -4.979) 9.065 10.678 ( -2.403 3.773 3.315) 5.568 10.785 ( -4.209 3.340 -1.530) 5.587 10.856 ( -2.952 5.387 -0.845) 6.200 10.910 ( -3.838 1.214 0.431) 4.049 10.988 ( -2.885 9.642 3.359) 10.610 11.051 ( 1.778 4.841 -0.266) 5.165 11.154 ( -2.893 2.528 3.179) 4.987 11.224 ( 0.213 8.674 -3.019) 9.187 11.315 ( -2.939 1.956 -3.884) 5.249 11.356 ( -2.487 2.260 3.199) 4.640 11.406 ( -10.390 3.324 3.732) 11.530 11.516 ( -11.706 6.086 -4.973) 14.100 11.676 ( -12.406 4.759 3.430) 13.723 11.901 ( -9.493 5.889 1.397) 11.258 12.004 ( -8.838 3.551 -2.319) 9.803 12.108 ( -3.219 5.337 -1.030) 6.317 12.320 ( -6.577 1.570 0.615) 6.790 12.698 ( -3.928 1.263 0.195) 4.131 12.713 ( -0.932 -2.483 -0.211) 2.661 12.761 ( 0.093 0.019 -0.381) 0.393 12.795 ( 0.699 -2.247 0.498) 2.405 12.849 ( 3.015 0.375 -0.264) 3.050 12.887 ( 0.894 -2.275 0.060) 2.445 13.003 ( 0.413 -1.323 -0.107) 1.390 13.017 ( 2.382 -0.287 -0.658) 2.488 13.114 ( 2.660 0.107 1.211) 2.925 13.125 ( -0.045 0.202 -0.522) 0.561 13.145 ( 2.318 -1.784 0.477) 2.964 13.217 ( 2.855 0.199 0.771) 2.964 13.226 ( 1.594 -1.614 -0.846) 2.421 13.354 ( 0.737 0.075 1.254) 1.456 13.414 ( -0.054 -0.731 -1.203) 1.409 13.487 ( 3.706 -2.339 -1.715) 4.706 13.528 ( 0.827 -2.092 -1.027) 2.473 13.582 ( -0.287 -2.630 2.182) 3.429 13.739 ( 1.719 -1.623 0.582) 2.435 13.782 ( -0.381 -1.906 -0.637) 2.046 13.865 ( 4.267 -1.052 -0.205) 4.400 13.955 ( 3.558 0.750 2.414) 4.365 13.980 ( 2.705 -0.011 -0.782) 2.816 14.002 ( 2.925 2.042 -0.500) 3.603 14.108 ( 2.879 -1.902 -1.624) 3.814 14.256 ( 2.495 -3.776 1.162) 4.673 14.357 ( 1.533 2.069 -0.060) 2.575 14.451 ( -1.235 0.282 -0.095) 1.270 14.852 ( 2.214 -1.862 -1.127) 3.105 14.966 ( 0.699 -3.934 0.515) 4.029 15.046 ( 0.322 -3.211 1.232) 3.454 15.113 ( 2.719 -2.624 0.521) 3.814 15.317 ( -3.033 0.608 0.258) 3.104 15.374 ( -1.755 2.388 -0.470) 3.001 15.581 ( 1.096 -2.877 -2.335) 3.864 15.663 ( 0.828 -3.465 1.906) 4.040 15.796 ( 0.236 -0.881 -0.669) 1.131 15.822 ( -0.587 -1.854 -0.121) 1.949 16.152 ( 0.229 1.828 -0.469) 1.901 16.297 ( -0.933 -1.938 0.676) 2.254 ======================= Grid point 158 (56/72) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 28.986 -18.798 -1.048) 34.564 3.960 ( 28.291 -17.351 -1.466) 33.221 4.472 ( 20.232 -25.508 -4.968) 32.935 4.746 ( 13.461 -17.018 22.775) 31.457 4.868 ( 15.893 -14.064 3.790) 21.558 4.923 ( 28.278 -15.219 -16.172) 35.955 5.206 ( 16.236 -13.665 -4.426) 21.677 5.318 ( 14.399 -10.364 -4.157) 18.221 5.488 ( -0.406 2.991 5.759) 6.502 5.513 ( -1.141 -2.945 1.892) 3.682 5.594 ( 20.786 -15.151 6.463) 26.521 5.676 ( 4.938 -5.701 -4.994) 9.046 5.788 ( 4.592 -9.626 -0.021) 10.665 5.902 ( 4.121 -12.918 -5.822) 14.757 5.920 ( 16.881 -10.561 9.563) 22.090 5.943 ( 1.778 -4.408 -2.029) 5.168 6.026 ( 1.518 -9.453 0.447) 9.584 6.234 ( -0.902 -9.518 8.082) 12.519 6.248 ( 7.979 -2.322 -8.603) 11.961 6.443 ( 10.618 -6.635 -7.388) 14.538 6.520 ( 16.103 -5.509 -9.427) 19.456 6.729 ( 0.500 -2.365 8.416) 8.756 6.800 ( 1.835 -4.729 5.586) 7.546 6.806 ( 7.284 -6.989 -11.041) 14.960 6.946 ( 2.141 -7.721 4.457) 9.168 7.069 ( -2.061 -7.757 -0.584) 8.047 7.103 ( 11.104 -0.936 4.436) 11.993 7.226 ( -0.593 4.430 0.500) 4.497 7.242 ( 5.990 -2.221 -1.781) 6.632 7.284 ( 3.194 5.739 -0.799) 6.616 7.355 ( 4.327 -4.678 1.883) 6.645 7.468 ( 10.324 -10.572 -1.005) 14.811 7.537 ( 12.176 -3.387 2.444) 12.872 7.604 ( 0.519 0.411 -5.026) 5.069 7.683 ( 2.087 0.858 -3.236) 3.945 7.752 ( -0.160 2.625 4.427) 5.149 7.884 ( -3.812 8.231 0.478) 9.083 7.987 ( -4.957 10.629 4.366) 12.514 8.133 ( 4.374 -9.464 16.155) 19.227 8.215 ( -3.053 6.212 -2.873) 7.494 8.329 ( -4.933 6.290 -4.844) 9.347 8.404 ( 4.298 8.614 -5.919) 11.301 8.436 ( -4.343 7.770 -4.895) 10.158 8.516 ( -2.727 10.607 1.079) 11.005 8.629 ( -7.206 15.245 -2.159) 17.000 8.769 ( -4.459 14.503 -6.193) 16.388 8.868 ( -6.241 7.655 4.713) 10.944 8.919 ( -5.085 12.375 0.492) 13.388 9.097 ( -5.359 11.618 -0.191) 12.796 9.217 ( 1.667 1.746 6.493) 6.927 9.302 ( -3.309 3.114 -4.554) 6.433 9.438 ( -9.624 5.838 2.623) 11.558 9.460 ( -2.666 6.253 -3.222) 7.522 9.609 ( -3.933 10.613 0.077) 11.319 9.679 ( -4.047 2.650 -0.328) 4.849 9.811 ( -7.577 10.767 1.611) 13.264 10.058 ( -7.560 9.480 4.942) 13.094 10.162 ( -0.370 5.269 1.683) 5.544 10.199 ( -2.280 6.840 -1.348) 7.335 10.220 ( -9.840 3.286 -0.200) 10.376 10.329 ( -8.193 1.063 -6.583) 10.564 10.442 ( -5.229 3.004 2.944) 6.711 10.538 ( -9.089 2.603 -3.867) 10.214 10.570 ( -6.744 3.288 0.358) 7.511 10.642 ( -4.392 5.526 -0.410) 7.071 10.763 ( -3.154 3.232 1.228) 4.680 10.828 ( -3.412 2.905 -0.810) 4.554 10.866 ( -4.784 1.267 1.587) 5.198 10.927 ( -2.198 8.823 -0.421) 9.103 11.031 ( -7.593 8.451 1.248) 11.429 11.103 ( -0.005 4.167 1.118) 4.315 11.209 ( -9.041 8.630 -0.840) 12.527 11.258 ( -5.677 2.507 2.683) 6.761 11.274 ( -4.866 -0.467 -7.948) 9.331 11.314 ( -2.267 3.557 2.707) 5.012 11.502 ( -11.034 4.316 3.161) 12.263 11.717 ( -7.191 5.763 1.774) 9.385 11.869 ( -5.592 3.424 -3.139) 7.270 12.026 ( 2.397 3.125 -0.184) 3.942 12.241 ( -4.569 1.031 0.442) 4.705 12.652 ( -1.882 0.464 0.047) 1.939 12.745 ( -0.066 -1.544 0.504) 1.626 12.787 ( 0.860 -2.293 -0.886) 2.605 12.844 ( -1.288 -3.012 -0.056) 3.277 12.864 ( 2.918 0.688 -0.063) 2.998 12.920 ( 0.548 -0.559 0.140) 0.796 13.032 ( 0.458 -1.348 0.395) 1.477 13.058 ( 4.848 -0.710 -0.513) 4.927 13.104 ( 1.412 1.520 0.235) 2.088 13.140 ( 1.160 0.163 0.292) 1.207 13.169 ( 1.682 0.335 0.871) 1.924 13.241 ( 1.445 -1.356 -1.252) 2.344 13.293 ( 0.208 -3.574 0.661) 3.641 13.368 ( 0.530 -0.657 1.024) 1.327 13.424 ( -0.433 -0.883 -0.916) 1.344 13.533 ( -2.323 -1.370 -1.226) 2.962 13.564 ( 0.670 -1.216 -1.061) 1.748 13.624 ( 1.250 -1.816 0.697) 2.312 13.763 ( 0.764 0.020 0.533) 0.932 13.825 ( -1.641 -3.900 0.835) 4.312 13.904 ( 2.826 0.324 0.764) 2.945 13.954 ( 1.324 2.597 -2.323) 3.728 13.988 ( 4.136 0.317 1.658) 4.468 14.039 ( 5.418 -0.401 0.039) 5.433 14.174 ( 3.485 -1.838 -0.666) 3.996 14.336 ( 0.862 -1.051 -0.718) 1.537 14.351 ( 2.095 -1.413 1.013) 2.722 14.424 ( -1.583 1.409 -0.137) 2.124 14.906 ( 3.016 -1.091 -1.454) 3.521 15.037 ( -0.562 -3.128 3.333) 4.605 15.117 ( 1.202 -3.699 -0.666) 3.946 15.199 ( 4.105 -3.528 0.021) 5.413 15.300 ( -2.158 -1.393 -0.520) 2.621 15.329 ( -1.442 0.426 -0.178) 1.514 15.633 ( 0.007 -2.393 -1.082) 2.626 15.730 ( 0.640 -2.590 1.164) 2.911 15.825 ( 0.513 -2.084 -0.878) 2.319 15.867 ( -0.453 -3.371 -0.066) 3.402 16.118 ( 0.745 2.167 0.134) 2.295 16.323 ( -2.818 -2.668 0.266) 3.890 ======================= Grid point 159 (57/72) ======================= q-point: ( 0.55 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.083 ( 25.309 -17.064 0.155) 30.525 4.410 ( 18.278 -4.582 -7.011) 20.105 4.816 ( 7.715 -5.419 13.845) 16.750 5.036 ( 7.158 -7.024 -14.526) 17.652 5.151 ( -6.726 7.740 13.799) 17.192 5.260 ( -0.983 -5.453 3.013) 6.307 5.377 ( 9.465 -15.579 -2.478) 18.397 5.469 ( -8.046 -5.659 2.329) 10.108 5.585 ( -0.311 -4.325 -4.424) 6.195 5.674 ( 4.644 -6.148 -8.523) 11.489 5.774 ( -8.334 1.535 0.677) 8.501 5.852 ( 15.626 -11.721 -0.195) 19.534 5.886 ( 9.041 -7.205 -2.028) 11.737 5.979 ( 8.123 1.116 8.191) 11.589 6.134 ( 5.820 -4.043 -7.206) 10.107 6.224 ( 0.340 -10.625 1.715) 10.768 6.246 ( -0.796 -7.997 -8.605) 11.775 6.312 ( -4.412 -2.043 7.739) 9.139 6.446 ( 7.991 -13.056 -0.951) 15.337 6.576 ( -0.658 6.236 8.076) 10.225 6.628 ( -4.872 -3.837 7.432) 9.680 6.711 ( 6.845 3.386 1.755) 7.836 6.800 ( -0.095 7.731 -4.858) 9.131 6.884 ( 12.724 -5.210 -13.181) 19.047 7.134 ( 5.828 8.687 5.509) 11.823 7.161 ( 2.557 -10.145 3.263) 10.959 7.216 ( 0.833 -4.396 0.509) 4.503 7.228 ( 4.636 0.883 -8.762) 9.953 7.321 ( 3.375 -3.873 -3.449) 6.187 7.367 ( -0.674 -8.473 5.047) 9.886 7.443 ( 0.292 7.005 -4.394) 8.274 7.550 ( 6.862 -1.941 2.628) 7.600 7.610 ( 1.174 8.313 1.786) 8.583 7.667 ( 4.392 3.211 0.248) 5.446 7.737 ( 7.909 3.180 7.285) 11.213 7.785 ( 8.781 -5.417 -8.267) 13.221 7.887 ( 7.220 -6.406 4.273) 10.556 7.921 ( 9.999 -1.356 5.431) 11.459 8.082 ( 4.919 3.596 3.151) 6.860 8.159 ( 0.819 7.146 -0.681) 7.225 8.244 ( -2.292 10.260 -4.182) 11.314 8.319 ( 1.290 12.140 -4.147) 12.893 8.341 ( 3.866 2.622 -2.506) 5.301 8.404 ( 4.405 3.182 -1.072) 5.539 8.499 ( 0.059 1.358 5.466) 5.632 8.556 ( 0.712 6.687 1.469) 6.884 8.569 ( 0.723 -4.996 -3.860) 6.355 8.719 ( -1.744 2.131 -0.091) 2.755 8.948 ( -4.797 -1.882 -1.723) 5.434 9.076 ( 3.975 19.404 0.448) 19.812 9.178 ( -6.209 7.412 2.138) 9.902 9.296 ( -5.276 0.664 -4.089) 6.708 9.357 ( -0.721 11.066 8.777) 14.142 9.413 ( -3.704 1.114 -5.925) 7.076 9.532 ( -2.544 6.496 1.208) 7.080 9.623 ( -5.771 5.159 -3.133) 8.351 9.785 ( -10.238 7.233 6.273) 14.017 9.902 ( -6.785 13.444 -1.073) 15.097 10.071 ( -5.900 7.799 4.009) 10.569 10.098 ( -1.969 2.929 -3.221) 4.778 10.240 ( -8.436 0.531 -6.506) 10.666 10.352 ( -3.371 1.825 4.848) 6.180 10.419 ( -9.158 1.729 -1.817) 9.495 10.498 ( -4.888 -1.010 -1.886) 5.336 10.551 ( -7.653 -0.784 0.912) 7.747 10.656 ( -3.012 4.620 2.097) 5.900 10.731 ( -3.235 4.853 -3.259) 6.681 10.797 ( -2.054 2.826 -2.550) 4.325 10.816 ( -2.796 0.720 3.487) 4.527 10.842 ( -5.999 1.306 0.177) 6.142 11.044 ( -1.541 1.941 3.696) 4.450 11.078 ( -3.782 1.140 -1.252) 4.144 11.189 ( -7.922 -1.070 -0.367) 8.003 11.234 ( -2.626 2.672 2.692) 4.613 11.283 ( -1.748 -2.687 -6.425) 7.180 11.323 ( -12.880 3.256 1.962) 13.429 11.591 ( -1.834 3.931 4.948) 6.581 11.767 ( -5.577 2.631 -5.065) 7.980 12.038 ( 6.557 0.141 1.397) 6.706 12.232 ( -0.184 -2.418 -0.207) 2.434 12.655 ( 0.957 -1.209 -0.097) 1.545 12.781 ( 2.127 -1.510 0.334) 2.630 12.833 ( -0.685 -1.957 0.072) 2.074 12.863 ( -0.095 -0.968 -0.898) 1.324 12.888 ( 1.311 -0.629 -0.052) 1.455 12.922 ( 0.335 0.333 0.262) 0.540 13.050 ( 1.375 0.574 0.954) 1.770 13.097 ( -0.120 -0.419 0.223) 0.490 13.118 ( 3.671 -0.949 -0.212) 3.798 13.137 ( 3.185 1.169 -0.089) 3.394 13.193 ( 3.286 -0.134 -0.026) 3.289 13.270 ( -0.675 -1.193 -1.029) 1.714 13.337 ( -1.280 -1.344 2.021) 2.744 13.387 ( -0.459 -1.309 0.319) 1.423 13.439 ( -0.865 -1.355 -0.687) 1.748 13.504 ( -5.829 -0.066 -2.934) 6.526 13.580 ( 0.193 -0.919 1.516) 1.783 13.668 ( 1.292 -1.397 -1.298) 2.303 13.767 ( 0.337 0.192 1.594) 1.640 13.862 ( -1.492 -1.055 0.707) 1.959 13.915 ( 1.639 2.689 -0.869) 3.267 13.929 ( 0.712 -1.408 0.109) 1.581 14.003 ( 3.164 1.545 0.077) 3.522 14.091 ( 5.401 0.442 0.108) 5.420 14.222 ( 2.964 -0.172 0.204) 2.976 14.326 ( -1.441 1.132 0.010) 1.832 14.375 ( 0.124 1.758 -1.535) 2.337 14.409 ( 0.514 -1.403 1.062) 1.833 14.927 ( 2.707 1.510 -1.371) 3.389 15.063 ( -1.834 -0.662 4.809) 5.189 15.188 ( 2.314 -2.220 -3.021) 4.405 15.284 ( -0.435 -2.861 -0.497) 2.936 15.336 ( 2.961 -2.785 0.019) 4.065 15.350 ( 0.393 -3.223 0.368) 3.268 15.662 ( -0.920 -1.156 -0.073) 1.480 15.751 ( -0.882 0.180 -0.505) 1.032 15.882 ( 1.158 -2.938 0.277) 3.170 15.924 ( -0.508 -3.083 -0.085) 3.126 16.099 ( 2.499 1.053 0.156) 2.717 16.342 ( -4.306 -2.857 0.080) 5.168 ======================= Grid point 160 (58/72) ======================= q-point: (-0.36 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( 6.770 21.259 -9.166) 24.121 4.449 ( 10.601 5.776 5.576) 13.298 4.776 ( -5.215 4.882 11.505) 13.542 5.035 ( -1.096 13.486 -10.769) 17.293 5.110 ( 3.824 3.619 7.845) 9.448 5.226 ( -3.498 -1.752 -1.638) 4.241 5.451 ( 0.665 -0.477 -0.470) 0.944 5.502 ( 3.689 4.502 -6.708) 8.882 5.651 ( -5.584 5.334 2.713) 8.185 5.688 ( -2.916 -3.186 1.340) 4.522 5.789 ( -2.061 -7.913 -2.072) 8.436 5.953 ( -0.385 4.101 6.241) 7.478 6.028 ( 0.784 5.657 -10.718) 12.145 6.112 ( -11.123 0.390 7.738) 13.556 6.149 ( -3.593 -1.013 1.578) 4.053 6.186 ( -5.569 -0.461 -4.572) 7.220 6.246 ( -3.242 5.435 1.897) 6.607 6.330 ( -2.014 2.880 -1.799) 3.948 6.467 ( 13.137 -1.208 3.645) 13.687 6.634 ( 5.722 0.341 -0.694) 5.774 6.667 ( 8.211 -0.531 -2.886) 8.720 6.779 ( 2.993 -5.030 -6.586) 8.811 6.817 ( -2.721 6.923 2.519) 7.854 6.959 ( 5.680 4.992 8.040) 11.037 7.069 ( -0.948 2.458 -3.655) 4.506 7.127 ( 2.132 5.272 6.302) 8.488 7.197 ( 2.297 5.354 -2.932) 6.522 7.234 ( 3.393 4.956 -2.616) 6.551 7.252 ( -8.181 -1.256 1.410) 8.396 7.384 ( 0.091 8.387 -1.703) 8.558 7.440 ( -2.720 6.284 2.122) 7.168 7.515 ( -3.630 7.312 -4.889) 9.516 7.582 ( 3.151 -8.417 7.037) 11.414 7.600 ( 3.862 8.144 0.203) 9.016 7.731 ( 1.558 1.758 -6.749) 7.146 7.829 ( -3.657 14.662 -3.829) 15.588 7.906 ( 5.218 3.863 5.365) 8.422 7.960 ( 5.028 3.262 -2.313) 6.424 8.038 ( 6.520 2.778 7.130) 10.054 8.105 ( 4.638 2.096 -3.044) 5.930 8.146 ( 3.433 -2.163 -3.539) 5.384 8.255 ( 4.397 -4.422 8.829) 10.809 8.311 ( 8.441 -3.768 -3.443) 9.865 8.418 ( -0.397 1.429 -1.717) 2.269 8.490 ( 5.010 -4.676 2.641) 7.344 8.572 ( 3.487 -2.327 0.190) 4.196 8.697 ( 3.070 10.077 1.043) 10.585 8.833 ( 4.606 5.190 -2.582) 7.404 8.906 ( -0.052 -4.790 -3.227) 5.776 9.014 ( 1.403 -4.297 0.988) 4.627 9.065 ( 4.960 -3.288 -4.521) 7.473 9.214 ( 0.012 -6.968 -2.234) 7.318 9.300 ( -1.767 11.207 6.874) 13.266 9.371 ( -3.120 -10.437 -2.789) 11.245 9.440 ( -1.975 -6.983 0.376) 7.267 9.572 ( -1.446 -4.476 3.344) 5.771 9.694 ( 2.402 -2.026 2.800) 4.209 9.830 ( 0.782 -7.428 -1.474) 7.613 9.959 ( -6.353 -1.376 -0.194) 6.503 10.070 ( 2.526 -0.555 3.065) 4.010 10.144 ( -5.435 3.350 -5.432) 8.383 10.265 ( -8.871 -2.407 -1.099) 9.258 10.375 ( -5.128 -1.791 0.273) 5.439 10.489 ( -0.544 -0.578 1.280) 1.506 10.517 ( -10.890 -4.017 0.418) 11.615 10.596 ( -2.398 -0.678 0.229) 2.502 10.674 ( 0.024 -0.390 -2.694) 2.722 10.753 ( -0.714 -0.192 -1.454) 1.631 10.798 ( -3.773 -0.675 -0.779) 3.911 10.820 ( -2.602 -1.570 3.808) 4.872 11.013 ( -2.285 0.648 3.862) 4.534 11.034 ( -2.934 1.856 -0.951) 3.600 11.154 ( -7.905 -4.172 -1.730) 9.104 11.189 ( -3.637 -1.101 0.848) 3.893 11.222 ( -4.740 -1.791 1.116) 5.189 11.316 ( -4.063 -3.782 -5.527) 7.833 11.547 ( 1.795 1.374 8.499) 8.794 11.680 ( -4.483 0.999 -6.363) 7.847 12.126 ( 8.753 -2.052 1.318) 9.086 12.300 ( 0.150 -4.154 -0.517) 4.189 12.706 ( 3.283 -2.154 -0.402) 3.947 12.832 ( 2.174 -0.538 0.661) 2.335 12.837 ( -0.842 -1.297 -0.396) 1.596 12.895 ( 1.976 0.604 0.135) 2.071 12.901 ( 0.526 -1.702 -0.239) 1.797 12.930 ( 0.155 -0.944 0.106) 0.963 13.037 ( 0.301 1.292 1.137) 1.747 13.114 ( -0.617 -0.960 -0.593) 1.286 13.126 ( 1.711 0.472 0.245) 1.791 13.181 ( 6.686 1.077 -0.239) 6.776 13.218 ( 2.672 0.099 -0.634) 2.748 13.267 ( -1.786 0.300 -0.375) 1.850 13.331 ( -1.476 0.543 2.406) 2.874 13.384 ( -2.693 0.390 0.503) 2.768 13.440 ( -5.193 -0.014 -1.585) 5.429 13.456 ( -3.087 -1.352 -1.793) 3.818 13.622 ( 1.903 -1.949 1.166) 2.963 13.685 ( -0.746 -0.234 -0.770) 1.098 13.761 ( 0.611 0.974 0.359) 1.205 13.842 ( -1.686 1.683 0.907) 2.549 13.880 ( 1.937 2.062 -0.782) 2.935 13.966 ( -1.393 -2.324 0.449) 2.746 13.995 ( 3.770 2.476 -0.235) 4.517 14.103 ( 2.126 2.125 -0.203) 3.013 14.226 ( 1.320 1.780 0.412) 2.254 14.279 ( -2.137 1.705 -0.228) 2.743 14.354 ( 1.065 1.138 0.541) 1.650 14.420 ( -0.750 0.294 -0.731) 1.088 14.908 ( 3.201 2.906 -0.976) 4.432 15.039 ( -3.145 1.120 3.648) 4.945 15.228 ( 3.189 0.172 -3.318) 4.606 15.306 ( -1.801 -0.970 0.361) 2.077 15.416 ( 2.719 -2.819 0.294) 3.928 15.431 ( 2.761 -3.090 0.151) 4.146 15.659 ( -1.380 0.305 0.018) 1.414 15.717 ( -2.512 1.629 -0.174) 2.999 15.927 ( 0.869 -0.758 0.339) 1.202 15.959 ( -0.861 -1.292 -0.163) 1.561 16.140 ( 5.487 -1.623 0.017) 5.722 16.348 ( -5.151 -2.364 0.014) 5.668 ======================= Grid point 161 (59/72) ======================= q-point: (-0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( 6.102 31.091 -8.930) 32.918 4.017 ( -9.828 30.153 11.458) 33.721 4.538 ( -3.247 29.496 9.222) 31.074 4.593 ( -6.736 29.909 -12.487) 33.104 4.975 ( 7.189 18.206 -10.422) 22.176 5.117 ( -6.676 12.158 7.419) 15.730 5.305 ( -0.510 14.979 5.261) 15.884 5.375 ( -4.854 6.512 5.646) 9.892 5.565 ( -0.911 20.511 9.772) 22.738 5.600 ( -0.596 14.622 -11.677) 18.722 5.764 ( 6.372 4.022 -4.892) 8.984 5.834 ( 6.278 -4.977 -6.854) 10.543 5.913 ( -7.266 5.494 6.122) 10.975 5.954 ( -4.541 2.379 -2.578) 5.738 6.069 ( -2.990 12.827 3.702) 13.681 6.116 ( -6.389 3.456 -2.675) 7.740 6.229 ( -0.913 7.078 3.712) 8.044 6.265 ( -3.529 5.578 -0.961) 6.671 6.392 ( 1.879 22.916 -3.601) 23.273 6.447 ( -3.913 25.908 0.077) 26.202 6.504 ( 4.220 0.742 4.903) 6.512 6.582 ( -3.622 10.216 -5.573) 12.188 6.830 ( 2.468 9.918 -2.374) 10.492 6.842 ( -0.283 11.418 4.445) 12.256 6.973 ( -1.123 9.749 1.322) 9.902 7.017 ( -4.782 12.776 2.118) 13.805 7.083 ( 3.895 -3.695 2.968) 6.135 7.171 ( -3.461 2.717 0.970) 4.505 7.200 ( -0.893 2.940 -10.355) 10.801 7.227 ( -3.673 -0.144 4.984) 6.193 7.368 ( 5.902 -3.769 -2.269) 7.361 7.445 ( -2.302 2.196 -0.960) 3.323 7.546 ( 2.861 2.214 3.305) 4.900 7.600 ( -2.772 3.340 -0.550) 4.375 7.757 ( 3.660 -5.950 -1.546) 7.155 7.812 ( -1.576 -9.880 1.823) 10.169 7.876 ( 8.682 -2.665 1.963) 9.291 7.997 ( -1.351 -2.050 -2.606) 3.580 8.093 ( 3.432 -5.398 5.410) 8.377 8.136 ( 0.924 -5.898 -4.374) 7.401 8.261 ( 5.443 -4.179 -0.344) 6.871 8.336 ( -1.765 -4.757 -1.371) 5.256 8.439 ( 5.436 -3.202 1.521) 6.490 8.519 ( -1.564 -0.116 0.280) 1.593 8.551 ( 6.221 -6.124 -0.291) 8.734 8.634 ( -2.898 -5.884 -2.261) 6.938 8.738 ( 9.478 -5.841 9.396) 14.568 8.856 ( -2.213 -1.736 -11.233) 11.580 8.963 ( 6.783 -10.336 -0.890) 12.395 9.042 ( -1.928 -5.420 0.540) 5.778 9.196 ( 3.762 -4.589 3.032) 6.664 9.272 ( -2.451 -6.517 -0.732) 7.001 9.448 ( 5.096 -7.044 -1.230) 8.781 9.556 ( -5.954 -4.651 3.086) 8.162 9.587 ( 5.811 -13.596 -0.097) 14.786 9.674 ( -1.697 -7.256 1.873) 7.684 9.866 ( 3.530 -3.315 -3.880) 6.206 9.913 ( -2.853 -1.596 4.161) 5.292 10.098 ( 3.645 -7.041 -0.871) 7.976 10.150 ( 0.684 -18.777 -1.894) 18.885 10.236 ( 1.052 -14.239 1.753) 14.385 10.293 ( -5.886 -7.595 -2.579) 9.949 10.393 ( 0.591 -3.179 -1.241) 3.464 10.492 ( -8.824 -6.052 1.509) 10.805 10.553 ( 1.440 -4.730 0.190) 4.948 10.617 ( -4.533 -4.881 0.564) 6.685 10.719 ( 2.453 -2.622 -0.788) 3.676 10.770 ( -2.686 -2.379 1.484) 3.882 10.801 ( 1.119 -2.516 -4.088) 4.929 10.837 ( -2.278 -2.208 4.187) 5.253 10.959 ( -1.915 2.010 -2.999) 4.086 10.980 ( -4.699 -0.407 3.869) 6.100 11.222 ( -0.404 -3.619 2.625) 4.489 11.226 ( -0.756 -5.762 -4.766) 7.516 11.288 ( -0.611 -8.871 -0.615) 8.913 11.349 ( -6.004 -6.452 -0.324) 8.819 11.587 ( 4.082 -2.237 7.404) 8.746 11.657 ( -3.006 -2.386 -6.230) 7.317 12.252 ( 8.611 -2.980 0.821) 9.149 12.358 ( -3.027 -3.443 -0.538) 4.616 12.778 ( 3.576 -2.047 -0.673) 4.175 12.826 ( -1.729 -0.470 0.592) 1.887 12.876 ( 3.763 0.656 -0.327) 3.834 12.904 ( 1.414 -0.363 -1.094) 1.825 12.927 ( -0.362 -0.739 0.297) 0.875 12.939 ( -2.183 -0.336 1.255) 2.540 13.038 ( 3.545 0.014 1.651) 3.911 13.104 ( -2.588 -0.129 -1.534) 3.012 13.141 ( 3.358 1.168 -0.163) 3.559 13.199 ( 5.114 2.152 -0.040) 5.549 13.211 ( -3.265 1.569 -0.201) 3.628 13.254 ( 2.876 1.274 -0.114) 3.147 13.290 ( -2.909 1.535 1.438) 3.590 13.343 ( -3.651 0.816 -0.361) 3.759 13.411 ( -0.625 -1.022 -1.137) 1.651 13.460 ( -3.219 -1.744 0.038) 3.661 13.638 ( 0.075 1.381 -0.329) 1.421 13.661 ( -2.289 1.497 1.514) 3.126 13.740 ( 1.623 2.832 -2.129) 3.897 13.778 ( -2.566 3.256 1.393) 4.373 13.903 ( 4.505 -1.416 -0.157) 4.725 13.976 ( -2.838 -0.520 -0.164) 2.890 13.983 ( 4.822 2.902 0.219) 5.632 14.049 ( -1.566 3.754 0.043) 4.068 14.204 ( 0.454 1.104 -0.559) 1.318 14.229 ( -2.072 1.651 0.419) 2.682 14.349 ( 1.336 0.897 1.577) 2.253 14.386 ( -2.061 1.744 -1.575) 3.126 14.891 ( 4.676 2.559 -0.997) 5.423 14.976 ( -4.680 2.205 2.357) 5.685 15.232 ( 3.665 2.518 -3.023) 5.377 15.280 ( -2.125 2.200 1.641) 3.471 15.479 ( 2.346 -1.498 -0.199) 2.790 15.491 ( 1.555 -1.317 0.198) 2.048 15.634 ( -0.816 1.184 0.613) 1.563 15.659 ( -2.878 1.883 -0.456) 3.469 15.932 ( 1.250 1.038 0.033) 1.625 15.954 ( -1.204 0.782 -0.026) 1.436 16.230 ( 6.334 -1.880 0.012) 6.607 16.335 ( -5.445 -1.312 -0.004) 5.601 ======================= Grid point 163 (60/72) ======================= q-point: (-0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 3.356 34.351 -23.148) 41.558 3.347 ( -3.356 34.351 23.148) 41.558 3.882 ( -2.943 40.895 -12.149) 42.763 3.882 ( 2.943 40.895 12.149) 42.763 4.578 ( 6.768 30.050 -9.190) 32.144 4.578 ( -6.768 30.050 9.190) 32.144 4.870 ( -4.059 38.061 -4.111) 38.497 4.870 ( 4.059 38.061 4.111) 38.497 5.300 ( -0.616 40.275 -21.927) 45.861 5.300 ( 0.616 40.275 21.927) 45.861 5.533 ( 3.357 7.224 -7.295) 10.801 5.533 ( -3.357 7.224 7.295) 10.801 5.677 ( 2.915 17.495 -15.361) 23.464 5.677 ( -2.915 17.495 15.361) 23.464 5.914 ( -3.602 16.060 -12.586) 20.719 5.914 ( 3.602 16.060 12.586) 20.719 6.036 ( -1.203 14.448 -5.192) 15.399 6.036 ( 1.203 14.448 5.192) 15.399 6.228 ( 1.765 -2.438 -2.998) 4.248 6.228 ( -1.765 -2.438 2.998) 4.248 6.395 ( 3.642 11.605 -6.897) 13.982 6.395 ( -3.642 11.605 6.897) 13.982 6.650 ( -0.096 7.603 -11.043) 13.407 6.650 ( 0.096 7.603 11.043) 13.407 6.851 ( 1.605 4.013 -9.174) 10.141 6.851 ( -1.605 4.013 9.174) 10.141 7.094 ( -6.638 2.274 -2.536) 7.461 7.094 ( 6.638 2.274 2.536) 7.461 7.231 ( 1.505 -5.093 -1.240) 5.453 7.231 ( -1.505 -5.093 1.240) 5.453 7.428 ( 0.595 -4.290 -3.916) 5.838 7.428 ( -0.595 -4.290 3.916) 5.838 7.696 ( -2.900 -12.589 -3.135) 13.294 7.696 ( 2.900 -12.589 3.135) 13.294 7.944 ( -1.104 -9.220 -3.984) 10.104 7.944 ( 1.104 -9.220 3.984) 10.104 8.084 ( -6.256 -10.209 -1.635) 12.084 8.084 ( 6.256 -10.209 1.635) 12.084 8.295 ( -0.972 -10.652 -3.968) 11.408 8.295 ( 0.972 -10.652 3.968) 11.408 8.419 ( -4.941 -7.566 -2.679) 9.425 8.419 ( 4.941 -7.566 2.679) 9.425 8.528 ( -2.221 -4.782 -8.347) 9.873 8.528 ( 2.221 -4.782 8.347) 9.873 8.729 ( -1.995 -6.944 -5.323) 8.974 8.729 ( 1.995 -6.944 5.323) 8.974 8.907 ( 0.293 -5.562 -12.225) 13.434 8.907 ( -0.293 -5.562 12.225) 13.434 9.169 ( -0.121 -7.790 -2.364) 8.142 9.169 ( 0.121 -7.790 2.364) 8.142 9.384 ( 0.893 -8.842 -1.869) 9.082 9.384 ( -0.893 -8.842 1.869) 9.082 9.580 ( 1.361 -3.840 -12.934) 13.560 9.580 ( -1.361 -3.840 12.934) 13.560 9.765 ( 3.734 -5.086 -9.913) 11.750 9.765 ( -3.734 -5.086 9.913) 11.750 9.987 ( 1.512 -9.912 -5.613) 11.491 9.987 ( -1.512 -9.912 5.613) 11.491 10.272 ( -6.671 -3.795 -1.529) 7.826 10.272 ( 6.671 -3.795 1.529) 7.826 10.402 ( -0.177 -3.344 -1.747) 3.777 10.402 ( 0.177 -3.344 1.747) 3.777 10.643 ( -4.418 -11.891 -4.761) 13.549 10.643 ( 4.418 -11.891 4.761) 13.549 10.703 ( 1.392 -8.828 -5.289) 10.384 10.703 ( -1.392 -8.828 5.289) 10.384 10.804 ( 1.483 -4.894 -2.584) 5.729 10.804 ( -1.483 -4.894 2.584) 5.729 10.878 ( -0.635 -4.324 -3.542) 5.625 10.878 ( 0.635 -4.324 3.542) 5.625 10.989 ( -2.912 -6.442 -1.816) 7.300 10.989 ( 2.912 -6.442 1.816) 7.300 11.309 ( -1.766 -6.457 -0.727) 6.734 11.309 ( 1.766 -6.457 0.727) 6.734 11.504 ( 0.833 -13.597 -2.471) 13.845 11.504 ( -0.833 -13.597 2.471) 13.845 11.695 ( -2.392 -5.258 -6.267) 8.523 11.695 ( 2.392 -5.258 6.267) 8.523 12.370 ( -2.691 -2.555 -3.970) 5.435 12.370 ( 2.691 -2.555 3.970) 5.435 12.822 ( 0.868 -0.345 -1.365) 1.654 12.822 ( -0.868 -0.345 1.365) 1.654 12.891 ( -3.332 0.651 0.531) 3.436 12.891 ( 3.332 0.651 -0.531) 3.436 12.931 ( -1.054 0.238 -0.036) 1.081 12.931 ( 1.054 0.238 0.036) 1.081 13.075 ( -2.248 0.418 -1.081) 2.529 13.075 ( 2.248 0.418 1.081) 2.529 13.134 ( 0.292 2.953 -1.168) 3.189 13.134 ( -0.292 2.953 1.168) 3.189 13.197 ( -2.935 2.329 -0.349) 3.763 13.197 ( 2.935 2.329 0.349) 3.763 13.296 ( -2.264 0.469 -2.943) 3.743 13.296 ( 2.264 0.469 2.943) 3.743 13.458 ( -3.398 -1.699 0.522) 3.835 13.458 ( 3.398 -1.699 -0.522) 3.835 13.598 ( 0.222 3.499 -4.439) 5.657 13.598 ( -0.222 3.499 4.439) 5.657 13.698 ( 1.525 2.795 -2.860) 4.280 13.698 ( -1.525 2.795 2.860) 4.280 13.928 ( -2.845 3.814 -0.297) 4.768 13.928 ( 2.845 3.814 0.297) 4.768 13.977 ( -2.556 1.293 -0.839) 2.985 13.977 ( 2.556 1.293 0.839) 2.985 14.195 ( -0.518 0.839 -3.313) 3.456 14.195 ( 0.518 0.839 3.313) 3.456 14.342 ( -0.340 0.748 -0.272) 0.865 14.342 ( 0.340 0.748 0.272) 0.865 14.893 ( 0.287 1.977 -5.721) 6.059 14.893 ( -0.287 1.977 5.721) 6.059 15.196 ( 1.704 4.507 -3.478) 5.943 15.196 ( -1.704 4.507 3.478) 5.943 15.504 ( -0.013 0.340 -0.362) 0.497 15.504 ( 0.013 0.340 0.362) 0.497 15.608 ( -0.852 1.679 -1.862) 2.648 15.608 ( 0.852 1.679 1.862) 2.648 15.914 ( -1.412 2.239 0.010) 2.647 15.914 ( 1.412 2.239 -0.010) 2.647 16.301 ( -3.429 -0.134 -1.387) 3.702 16.301 ( 3.429 -0.134 1.387) 3.702 ======================= Grid point 170 (61/72) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 38.406 0.000 -26.263) 46.527 3.057 ( 35.040 0.000 32.604) 47.863 3.208 ( 49.200 0.000 -10.764) 50.364 3.381 ( 47.220 0.000 13.357) 49.072 4.134 ( 35.618 0.000 -22.839) 42.311 4.251 ( 30.647 0.000 4.689) 31.003 4.437 ( 66.680 0.000 -9.856) 67.404 4.588 ( 27.444 0.000 -15.884) 31.709 4.650 ( 32.356 0.000 29.660) 43.893 4.838 ( 64.119 0.000 25.525) 69.013 5.103 ( 24.936 0.000 7.638) 26.080 5.105 ( 26.042 0.000 -9.286) 27.648 5.372 ( 16.789 0.000 -2.587) 16.987 5.387 ( 14.182 0.000 1.096) 14.224 5.624 ( -2.914 -0.000 4.110) 5.038 5.751 ( -18.019 -0.000 -1.080) 18.051 5.834 ( 1.297 0.000 -2.650) 2.950 5.879 ( 31.079 0.000 -18.833) 36.340 5.914 ( 26.623 0.000 -37.808) 46.241 6.104 ( -18.862 -0.000 12.275) 22.504 6.167 ( 17.778 0.000 16.408) 24.193 6.505 ( 0.148 0.000 -17.549) 17.550 6.696 ( -1.781 -0.000 -1.329) 2.222 6.715 ( -3.532 -0.000 7.884) 8.639 6.816 ( 7.706 0.000 -11.353) 13.721 6.883 ( -2.572 -0.000 5.366) 5.950 6.900 ( 6.841 0.000 9.730) 11.894 7.009 ( 24.239 0.000 29.070) 37.850 7.303 ( -20.580 -0.000 -8.369) 22.217 7.326 ( -8.785 -0.000 -6.765) 11.088 7.402 ( 4.777 0.000 5.474) 7.265 7.405 ( -27.058 -0.000 11.579) 29.431 7.667 ( -20.315 -0.000 -7.393) 21.618 7.726 ( -0.336 -0.000 -3.431) 3.447 7.808 ( -17.227 -0.000 1.546) 17.296 7.881 ( -9.725 -0.000 2.665) 10.084 8.113 ( -3.716 -0.000 7.350) 8.236 8.195 ( -0.750 -0.000 -10.485) 10.512 8.371 ( -1.482 -0.000 -5.250) 5.455 8.418 ( -0.605 -0.000 7.972) 7.995 8.702 ( -6.710 -0.000 -3.273) 7.465 8.729 ( -3.359 -0.000 -20.150) 20.428 8.775 ( -0.719 -0.000 3.082) 3.165 8.877 ( -3.981 -0.000 4.777) 6.218 8.978 ( 1.887 0.000 -3.765) 4.212 9.143 ( -6.588 -0.000 1.607) 6.782 9.208 ( -3.519 -0.000 0.017) 3.519 9.296 ( -5.266 -0.000 9.022) 10.447 9.430 ( -9.399 -0.000 2.383) 9.696 9.480 ( -1.715 -0.000 2.056) 2.678 9.597 ( -5.093 -0.000 -2.607) 5.721 9.617 ( -5.663 -0.000 -1.620) 5.890 9.751 ( -4.991 -0.000 0.281) 4.999 9.759 ( -5.329 -0.000 -1.564) 5.554 9.955 ( -16.282 -0.000 -6.063) 17.374 10.003 ( -12.687 -0.000 8.211) 15.112 10.072 ( -2.139 -0.000 10.453) 10.669 10.340 ( -0.261 -0.000 -10.426) 10.429 10.442 ( -0.591 -0.000 2.559) 2.626 10.506 ( -3.488 -0.000 2.147) 4.096 10.580 ( -3.941 -0.000 1.225) 4.127 10.593 ( -11.689 -0.000 -0.340) 11.694 10.726 ( -10.681 -0.000 -12.346) 16.325 10.732 ( -5.158 -0.000 1.874) 5.488 10.756 ( -5.239 -0.000 -0.597) 5.273 10.972 ( -3.107 -0.000 4.034) 5.092 11.043 ( -2.125 -0.000 -2.288) 3.122 11.173 ( 1.602 0.000 -0.216) 1.617 11.263 ( -4.619 -0.000 6.177) 7.713 11.269 ( 2.996 0.000 2.344) 3.804 11.336 ( -1.083 -0.000 -0.826) 1.362 11.413 ( -13.393 -0.000 1.039) 13.433 11.443 ( 0.522 0.000 -1.542) 1.628 11.446 ( -0.320 -0.000 0.004) 0.320 11.460 ( -5.081 -0.000 -0.166) 5.084 11.731 ( -9.706 -0.000 -1.920) 9.894 11.971 ( -9.148 -0.000 -5.504) 10.676 12.001 ( -11.119 -0.000 5.412) 12.366 12.220 ( -7.760 -0.000 -2.159) 8.055 12.326 ( -8.191 -0.000 1.102) 8.265 12.676 ( -1.188 -0.000 -0.961) 1.528 12.717 ( -3.405 -0.000 1.084) 3.573 12.767 ( 1.176 0.000 0.003) 1.176 12.792 ( 1.636 0.000 0.008) 1.636 12.828 ( 3.785 0.000 -0.556) 3.825 12.860 ( 4.398 0.000 0.937) 4.497 12.986 ( 0.374 0.000 -1.083) 1.146 13.020 ( 1.915 0.000 -0.164) 1.922 13.050 ( -1.328 -0.000 0.307) 1.363 13.065 ( 2.364 0.000 1.022) 2.575 13.194 ( 2.151 0.000 -1.780) 2.792 13.206 ( 3.394 0.000 2.086) 3.984 13.241 ( 4.292 0.000 -0.121) 4.294 13.370 ( -0.179 -0.000 1.302) 1.315 13.385 ( 2.514 0.000 -3.369) 4.204 13.451 ( 4.772 0.000 -0.053) 4.772 13.472 ( 0.010 0.000 -0.524) 0.524 13.523 ( 1.684 0.000 2.575) 3.077 13.695 ( 1.377 0.000 -1.457) 2.005 13.724 ( 2.755 0.000 0.959) 2.917 13.906 ( 4.362 0.000 0.908) 4.456 13.921 ( 3.631 0.000 0.208) 3.637 14.003 ( 1.005 0.000 -1.660) 1.940 14.005 ( 2.199 0.000 -1.857) 2.878 14.154 ( 1.149 0.000 0.947) 1.489 14.154 ( 0.226 0.000 1.639) 1.655 14.404 ( 0.410 0.000 -0.371) 0.553 14.469 ( -0.829 -0.000 0.175) 0.847 14.804 ( -0.059 -0.000 -1.661) 1.662 14.880 ( 0.017 0.000 1.932) 1.932 15.005 ( 0.793 0.000 -1.593) 1.779 15.024 ( -0.611 -0.000 2.696) 2.765 15.371 ( -1.828 -0.000 -0.617) 1.929 15.416 ( -1.693 -0.000 4.031) 4.372 15.527 ( 2.495 0.000 -6.485) 6.949 15.579 ( -0.920 -0.000 2.449) 2.616 15.775 ( -0.478 -0.000 1.744) 1.809 15.826 ( -1.951 -0.000 -2.300) 3.016 16.183 ( 1.389 0.000 -3.460) 3.728 16.282 ( 1.064 0.000 3.154) 3.329 ======================= Grid point 171 (62/72) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 38.418 -6.932 -14.901) 41.786 3.466 ( 34.005 -8.904 21.254) 41.077 3.695 ( 42.659 -9.973 -6.174) 44.242 3.954 ( 41.147 -16.357 9.973) 45.388 4.498 ( 29.859 -6.872 -15.809) 34.477 4.594 ( 28.523 -9.612 -2.692) 30.220 4.799 ( 21.769 -1.399 -9.479) 23.785 5.010 ( 25.172 -9.665 25.548) 37.145 5.047 ( 45.208 -6.494 -4.897) 45.934 5.290 ( 20.679 -5.955 -1.681) 21.585 5.391 ( 17.081 -4.369 3.052) 17.893 5.441 ( 23.307 -8.372 -1.410) 24.805 5.529 ( 8.775 -3.571 0.471) 9.486 5.577 ( 11.871 -4.411 -0.509) 12.674 5.612 ( 9.636 -4.293 8.435) 13.507 5.695 ( 3.425 -6.051 4.867) 8.487 5.777 ( -4.470 -1.387 -2.163) 5.156 5.962 ( -11.894 -2.277 14.086) 18.576 6.186 ( 27.145 -4.242 -21.614) 34.958 6.254 ( 37.047 -4.662 -32.803) 49.701 6.414 ( 14.745 -1.001 15.803) 21.637 6.477 ( -1.596 -2.293 -9.780) 10.171 6.559 ( -18.653 -4.065 -6.822) 20.273 6.634 ( -11.033 -5.930 6.587) 14.152 6.811 ( -3.124 0.603 12.308) 12.713 7.022 ( 9.252 -0.178 1.862) 9.439 7.051 ( -7.901 3.785 -1.862) 8.956 7.113 ( -4.350 -1.995 -2.450) 5.376 7.188 ( 6.945 -2.303 -6.562) 9.828 7.251 ( 21.988 0.588 18.431) 28.697 7.394 ( 9.739 -3.252 5.526) 11.660 7.436 ( -2.088 -0.431 -0.869) 2.302 7.535 ( -12.093 -2.823 -5.124) 13.434 7.676 ( -4.380 0.644 5.222) 6.847 7.726 ( -8.573 -2.413 -0.083) 8.906 7.810 ( -4.111 2.233 2.647) 5.375 7.980 ( -0.026 9.103 1.535) 9.232 8.109 ( -2.231 7.442 -0.853) 7.816 8.304 ( -7.177 3.652 -4.375) 9.164 8.412 ( -4.783 2.508 6.821) 8.700 8.584 ( -0.521 3.854 -7.399) 8.359 8.655 ( -3.205 4.587 -11.121) 12.449 8.768 ( -7.974 6.033 -0.510) 10.012 8.775 ( -2.163 1.381 -0.574) 2.630 8.953 ( 0.857 3.058 -4.166) 5.238 9.090 ( -3.113 3.071 4.204) 6.066 9.167 ( -8.588 1.007 -1.552) 8.785 9.213 ( -2.451 4.030 5.789) 7.467 9.318 ( -8.252 10.597 -4.199) 14.072 9.347 ( -9.218 -1.160 7.167) 11.734 9.494 ( -5.871 5.245 -2.141) 8.159 9.553 ( -6.206 7.096 -0.326) 9.432 9.618 ( -5.387 -1.538 2.289) 6.051 9.717 ( -6.201 4.821 -1.871) 8.074 9.867 ( -14.791 1.683 8.571) 17.177 9.903 ( -12.907 -7.515 -3.351) 15.307 10.098 ( -3.087 -3.945 9.548) 10.782 10.258 ( -5.762 5.523 -10.901) 13.511 10.381 ( -3.051 5.059 3.620) 6.929 10.418 ( -11.079 4.691 -6.230) 13.549 10.470 ( -6.103 0.019 4.207) 7.413 10.518 ( -3.972 3.254 -1.241) 5.282 10.599 ( -8.911 1.653 -5.499) 10.601 10.689 ( -3.498 0.747 2.447) 4.334 10.751 ( -3.654 -2.126 -3.013) 5.191 10.895 ( -6.434 3.395 1.815) 7.498 10.955 ( -4.211 5.385 -1.157) 6.934 11.124 ( -3.969 3.085 2.332) 5.541 11.167 ( -1.826 8.628 6.307) 10.842 11.213 ( 0.221 4.599 -0.656) 4.651 11.269 ( -6.734 3.029 -4.689) 8.746 11.344 ( -7.319 0.353 2.675) 7.801 11.378 ( -0.494 6.217 -4.341) 7.599 11.425 ( 3.515 2.305 5.060) 6.578 11.469 ( -4.982 -0.546 -2.946) 5.814 11.651 ( -7.426 2.084 1.132) 7.796 11.889 ( -9.228 2.056 1.592) 9.587 11.930 ( -8.581 -1.492 -1.304) 8.807 12.132 ( -6.065 1.927 -3.398) 7.214 12.256 ( -9.133 -0.350 1.769) 9.309 12.667 ( -1.810 -0.295 -0.616) 1.934 12.693 ( -2.588 -0.308 0.861) 2.745 12.765 ( 1.560 0.778 -1.314) 2.183 12.804 ( 1.499 0.487 1.283) 2.032 12.866 ( 2.964 -0.878 -0.733) 3.177 12.894 ( 3.594 0.595 0.748) 3.719 12.993 ( 0.836 -0.271 0.567) 1.046 13.027 ( 1.271 -0.831 -1.456) 2.104 13.070 ( 0.419 -1.828 0.196) 1.886 13.120 ( 1.858 -2.919 0.745) 3.540 13.204 ( 3.820 1.770 0.071) 4.211 13.222 ( 2.559 0.614 0.299) 2.649 13.271 ( 3.657 1.017 0.030) 3.796 13.369 ( 0.286 0.516 1.300) 1.427 13.397 ( 0.107 -0.593 -1.936) 2.027 13.485 ( 0.465 -1.111 -0.618) 1.354 13.511 ( 4.950 -1.427 -2.127) 5.573 13.557 ( 2.411 -1.294 3.107) 4.140 13.718 ( 1.352 -1.418 -0.524) 2.028 13.761 ( 1.200 -1.038 0.085) 1.589 13.906 ( 3.723 1.448 -0.952) 4.107 13.975 ( 2.168 -1.136 1.000) 2.644 14.008 ( 4.064 -0.051 2.680) 4.869 14.054 ( 1.908 -1.291 -2.924) 3.722 14.100 ( -0.222 2.052 -0.632) 2.158 14.215 ( 1.139 -3.196 0.980) 3.532 14.399 ( 0.795 1.192 -0.234) 1.452 14.452 ( -0.838 0.719 0.186) 1.120 14.824 ( 0.758 -2.028 -2.563) 3.355 14.907 ( -0.256 -2.831 2.400) 3.720 15.009 ( 0.439 -1.077 0.685) 1.350 15.063 ( -0.019 -3.345 0.642) 3.406 15.325 ( -1.985 2.197 0.340) 2.980 15.397 ( -2.054 0.996 1.611) 2.794 15.551 ( 1.683 -1.343 -5.133) 5.566 15.603 ( -0.729 -2.982 2.591) 4.017 15.778 ( -0.446 -0.665 1.610) 1.799 15.807 ( -0.800 0.017 -1.918) 2.078 16.188 ( 1.944 1.078 -3.871) 4.464 16.285 ( 0.234 0.513 3.652) 3.696 ======================= Grid point 172 (63/72) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( 35.357 -11.833 -4.495) 37.555 3.969 ( 33.490 -12.363 4.733) 36.012 4.274 ( 30.207 -18.010 -2.247) 35.240 4.595 ( 26.075 -17.896 9.077) 32.903 4.843 ( 19.167 -7.438 7.085) 21.746 4.944 ( 15.133 -3.670 -9.631) 18.310 5.073 ( 19.832 -13.978 -16.226) 29.189 5.176 ( -19.247 -4.173 6.945) 20.883 5.443 ( 16.182 -10.139 7.944) 20.683 5.514 ( 3.198 -7.224 4.849) 9.270 5.533 ( 0.055 -3.833 1.084) 3.984 5.619 ( 0.448 -3.035 -8.465) 9.003 5.687 ( -2.605 -8.514 2.482) 9.243 5.727 ( 4.770 -9.083 -5.673) 11.724 5.847 ( 4.560 -5.101 0.736) 6.881 5.910 ( 28.747 -7.507 -6.404) 30.393 6.024 ( 4.025 -8.412 8.898) 12.890 6.058 ( 24.146 -4.198 13.065) 27.773 6.316 ( -7.568 -0.236 -5.621) 9.430 6.399 ( 8.534 -3.246 -13.225) 16.071 6.580 ( 11.740 -5.655 0.602) 13.045 6.668 ( 13.215 -8.281 -8.472) 17.748 6.701 ( 7.763 -7.270 5.443) 11.948 6.774 ( 6.909 -3.089 4.672) 8.894 6.838 ( 10.278 -8.163 3.463) 13.575 6.942 ( -3.608 -0.952 -9.865) 10.547 7.058 ( -3.710 -7.147 6.640) 10.437 7.160 ( 2.318 -7.936 -1.336) 8.375 7.358 ( -7.517 0.818 -3.953) 8.532 7.386 ( 20.551 2.776 2.033) 20.837 7.447 ( 16.470 -2.215 1.423) 16.679 7.514 ( 4.787 4.735 0.195) 6.736 7.579 ( 4.768 0.652 -0.500) 4.839 7.615 ( 9.986 -0.716 0.519) 10.025 7.728 ( 1.262 3.126 -1.956) 3.898 7.771 ( 2.875 -2.489 2.527) 4.566 7.925 ( -5.716 -4.697 7.758) 10.720 7.961 ( -3.790 4.737 3.176) 6.848 8.146 ( -0.888 4.833 5.251) 7.191 8.274 ( -3.934 3.880 -0.790) 5.582 8.454 ( -6.219 12.018 -3.184) 13.901 8.528 ( -4.798 7.936 -11.870) 15.063 8.581 ( 2.157 4.998 -2.975) 6.203 8.686 ( 0.023 7.809 2.593) 8.228 8.816 ( -10.418 13.441 2.146) 17.140 8.911 ( -0.325 7.335 -2.872) 7.884 8.979 ( -5.415 12.238 -4.559) 14.137 9.121 ( -2.371 6.518 7.621) 10.304 9.174 ( -4.630 1.418 0.393) 4.858 9.283 ( -11.912 0.582 2.263) 12.139 9.324 ( -4.930 9.208 -1.366) 10.534 9.352 ( -6.843 3.030 -1.018) 7.553 9.530 ( -5.840 6.558 -2.950) 9.264 9.613 ( -6.265 -1.461 2.782) 7.009 9.702 ( -11.156 3.404 5.089) 12.726 9.919 ( -10.662 -3.329 -0.282) 11.173 10.093 ( -5.582 3.115 -9.562) 11.502 10.154 ( -2.400 -1.705 6.023) 6.704 10.198 ( -7.936 8.410 2.500) 11.830 10.274 ( -7.091 4.081 1.709) 8.358 10.385 ( -4.866 5.171 -1.042) 7.176 10.435 ( -2.049 6.160 -6.362) 9.089 10.462 ( -9.680 0.535 1.600) 9.825 10.637 ( -2.982 3.446 2.638) 5.266 10.710 ( -4.332 4.625 -4.214) 7.610 10.772 ( -6.507 2.708 0.242) 7.053 10.838 ( -4.482 1.267 -0.953) 4.755 10.927 ( -3.938 11.967 5.025) 13.564 11.053 ( -1.650 3.924 0.365) 4.272 11.107 ( -1.664 6.724 -0.003) 6.927 11.168 ( -6.367 2.926 -3.102) 7.663 11.232 ( -4.718 4.258 -6.410) 9.026 11.238 ( -6.542 5.940 4.493) 9.913 11.323 ( -8.641 8.062 -0.237) 11.821 11.390 ( 1.810 5.296 3.569) 6.638 11.527 ( -4.673 5.703 1.731) 7.573 11.755 ( -5.723 4.514 1.601) 7.463 11.858 ( -6.690 1.709 -2.670) 7.403 12.065 ( -1.869 0.998 -1.990) 2.907 12.188 ( -7.835 -0.693 1.317) 7.975 12.647 ( -1.526 0.373 0.215) 1.586 12.697 ( -1.620 -2.081 0.112) 2.640 12.776 ( 1.884 -0.585 -1.956) 2.778 12.811 ( 0.693 -0.223 1.609) 1.766 12.899 ( 2.024 0.299 -0.832) 2.209 12.911 ( 1.706 -0.864 0.808) 2.076 13.018 ( 2.086 -1.022 0.375) 2.353 13.074 ( 3.390 -1.809 -0.905) 3.948 13.102 ( -0.655 -1.470 -0.276) 1.633 13.176 ( 1.251 -0.850 1.243) 1.958 13.195 ( 3.638 2.463 1.265) 4.572 13.241 ( 0.623 -1.394 0.406) 1.580 13.274 ( 3.301 1.462 -1.537) 3.924 13.367 ( 0.636 0.129 0.914) 1.121 13.407 ( -0.425 -0.769 -1.070) 1.384 13.499 ( -1.663 -0.680 -1.804) 2.546 13.564 ( 2.763 -0.473 0.337) 2.823 13.610 ( 2.631 -1.686 0.879) 3.246 13.758 ( -0.818 -1.760 0.354) 1.973 13.771 ( 1.000 -0.331 -0.378) 1.119 13.933 ( 3.730 -0.126 1.094) 3.889 14.010 ( 1.841 1.256 -2.041) 3.022 14.025 ( 2.701 0.402 0.405) 2.761 14.070 ( 4.432 -0.581 1.791) 4.816 14.141 ( 1.080 -3.825 -1.033) 4.106 14.289 ( 0.616 -3.722 -0.282) 3.784 14.381 ( 1.379 1.484 0.349) 2.056 14.433 ( -0.790 0.766 -0.031) 1.101 14.881 ( 1.420 -3.169 -3.067) 4.633 14.968 ( -1.078 -3.897 3.328) 5.237 15.057 ( 0.827 -3.284 0.945) 3.516 15.134 ( -0.315 -4.549 -0.110) 4.561 15.284 ( -0.442 0.706 0.232) 0.865 15.355 ( -0.591 1.831 0.283) 1.945 15.594 ( 1.044 -2.209 -3.352) 4.148 15.664 ( -0.943 -4.158 2.629) 5.009 15.795 ( -0.141 -1.491 0.350) 1.538 15.819 ( 0.020 -1.832 -1.310) 2.252 16.171 ( 1.985 2.303 -1.903) 3.587 16.277 ( -1.517 -0.086 2.047) 2.549 ======================= Grid point 173 (64/72) ======================= q-point: ( 0.55 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.043 ( 30.925 -14.012 -0.921) 33.963 4.466 ( 29.428 -10.453 -5.236) 31.665 4.792 ( 15.832 -11.480 -2.647) 19.734 4.922 ( 0.771 -6.311 20.808) 21.758 5.022 ( 0.409 -10.813 -1.277) 10.895 5.114 ( -9.561 -6.347 -1.317) 11.551 5.283 ( 1.560 -7.594 -4.944) 9.195 5.331 ( 3.272 -5.620 -2.193) 6.863 5.471 ( 1.527 -3.153 1.243) 3.718 5.545 ( -13.750 -4.304 -0.738) 14.427 5.729 ( -0.197 -6.822 -1.742) 7.043 5.761 ( 7.285 -8.817 -3.735) 12.032 5.814 ( -0.473 -4.944 0.811) 5.032 5.937 ( -1.863 -14.365 -1.108) 14.528 6.033 ( 2.307 -10.564 -1.341) 10.895 6.108 ( 3.644 -3.289 2.908) 5.706 6.237 ( 10.968 -1.332 4.415) 11.898 6.265 ( 20.028 -1.352 -9.531) 22.221 6.410 ( 9.219 -9.971 3.213) 13.955 6.534 ( 7.497 -1.047 -3.939) 8.533 6.664 ( -2.302 5.585 17.897) 18.889 6.767 ( 5.697 -6.628 -0.422) 8.750 6.821 ( -0.454 0.422 0.353) 0.713 6.940 ( -1.303 -7.016 -0.258) 7.141 7.008 ( 4.195 -5.214 -10.500) 12.451 7.106 ( 8.419 -6.491 -7.026) 12.743 7.230 ( 3.407 -5.480 2.095) 6.784 7.257 ( 4.470 -0.737 2.604) 5.226 7.332 ( 2.792 5.066 -7.370) 9.369 7.362 ( 5.924 8.547 2.149) 10.619 7.524 ( 3.111 -1.275 3.293) 4.706 7.606 ( 5.154 -0.099 2.950) 5.940 7.690 ( 10.697 -4.335 -0.161) 11.543 7.699 ( 7.480 -5.082 -2.267) 9.323 7.787 ( 11.804 -5.341 -4.739) 13.795 7.836 ( 4.404 1.996 11.674) 12.636 7.907 ( 7.109 0.145 -0.486) 7.127 8.039 ( 8.942 -3.753 3.285) 10.239 8.110 ( -4.735 1.062 0.539) 4.883 8.213 ( -1.747 -0.436 -6.149) 6.407 8.293 ( -5.092 2.586 3.407) 6.650 8.404 ( 5.952 0.622 5.403) 8.062 8.444 ( -2.748 4.677 -5.499) 7.724 8.472 ( -2.895 12.883 -1.691) 13.312 8.590 ( 5.273 9.008 1.579) 10.557 8.662 ( -2.620 12.452 -6.423) 14.254 8.734 ( -6.562 10.482 0.844) 12.396 8.882 ( -1.996 16.425 1.245) 16.592 9.015 ( -2.716 9.012 -1.154) 9.483 9.165 ( -7.780 1.487 1.452) 8.053 9.222 ( -7.688 -1.857 -1.629) 8.075 9.276 ( -9.689 0.227 -1.604) 9.823 9.466 ( 5.867 1.727 3.994) 7.305 9.537 ( -2.819 7.120 4.627) 8.947 9.582 ( -5.748 0.479 -1.815) 6.047 9.746 ( 0.197 18.739 -1.565) 18.805 9.923 ( -8.604 8.615 -1.075) 12.223 10.012 ( -9.349 10.528 0.513) 14.089 10.088 ( -8.753 -2.066 -0.906) 9.039 10.147 ( -3.803 5.157 2.160) 6.762 10.218 ( -4.110 8.153 -2.400) 9.440 10.288 ( -14.197 -3.055 -1.008) 14.557 10.440 ( 1.717 4.559 4.000) 6.303 10.481 ( -2.068 6.547 -0.202) 6.869 10.557 ( -4.924 5.173 -3.459) 7.936 10.688 ( -5.179 1.672 0.392) 5.456 10.775 ( -2.078 2.860 1.113) 3.707 10.810 ( -2.548 0.224 -1.570) 3.001 10.881 ( -3.519 11.319 2.176) 12.052 10.899 ( -5.600 10.001 -2.557) 11.743 11.060 ( -4.194 1.818 -0.937) 4.666 11.073 ( -5.382 3.990 2.612) 7.191 11.157 ( -4.360 3.659 0.981) 5.776 11.187 ( -4.567 -1.674 -5.383) 7.255 11.293 ( -0.666 5.660 4.906) 7.520 11.361 ( -4.781 7.324 -0.076) 8.747 11.654 ( -0.652 3.858 3.330) 5.138 11.764 ( -5.201 2.609 -4.567) 7.397 12.068 ( 2.249 -1.169 0.470) 2.578 12.165 ( -3.952 -2.742 0.033) 4.810 12.647 ( 1.142 -0.826 0.450) 1.479 12.732 ( -1.910 -3.319 -0.679) 3.889 12.808 ( 1.120 -0.912 -0.939) 1.723 12.826 ( -0.244 -1.488 0.794) 1.704 12.909 ( 1.883 0.215 -0.410) 1.939 12.933 ( 0.725 -0.045 0.782) 1.067 13.061 ( 2.243 -1.230 0.310) 2.577 13.100 ( -0.708 0.869 0.661) 1.301 13.135 ( 3.410 -0.756 -1.216) 3.698 13.182 ( 2.951 0.573 -0.339) 3.025 13.197 ( 0.555 -0.516 1.841) 1.991 13.279 ( -1.176 -2.342 1.080) 2.834 13.285 ( 3.084 0.390 -1.786) 3.585 13.370 ( -0.369 -0.023 0.609) 0.713 13.417 ( -0.147 -0.598 -0.542) 0.820 13.473 ( -3.402 0.671 -2.302) 4.162 13.584 ( 1.704 0.080 2.376) 2.925 13.652 ( 0.584 -1.321 -1.098) 1.814 13.769 ( 0.207 -0.753 -1.309) 1.524 13.801 ( -0.920 -1.841 1.905) 2.804 13.950 ( 2.182 1.218 1.465) 2.897 13.978 ( 1.165 2.649 -1.776) 3.395 14.060 ( 3.992 0.191 -0.026) 3.997 14.122 ( 2.808 -0.886 -0.145) 2.948 14.219 ( 2.327 -2.739 1.248) 3.805 14.327 ( -1.725 -0.437 -1.882) 2.590 14.387 ( 1.627 -0.731 0.981) 2.036 14.408 ( -0.204 1.237 -0.123) 1.260 14.944 ( 2.003 -1.957 -3.432) 4.430 15.017 ( -2.413 -2.642 5.074) 6.209 15.135 ( 1.236 -4.144 0.074) 4.325 15.207 ( -2.121 -4.190 -1.171) 4.841 15.303 ( 1.878 -2.156 0.144) 2.863 15.342 ( 1.686 -0.325 0.089) 1.719 15.638 ( 1.077 -1.596 -1.094) 2.215 15.719 ( -1.989 -2.517 0.690) 3.281 15.837 ( 0.949 -2.893 0.182) 3.050 15.864 ( -0.079 -3.054 -0.776) 3.152 16.148 ( 2.563 1.931 -0.263) 3.220 16.265 ( -3.644 -1.109 0.608) 3.858 ======================= Grid point 174 (65/72) ======================= q-point: ( 0.64 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.523 ( 23.593 -9.951 -5.928) 26.283 4.705 ( 17.318 8.045 -7.290) 20.440 4.825 ( -11.605 3.218 22.219) 25.273 5.055 ( -19.466 -2.563 -1.517) 19.692 5.150 ( 7.356 -3.066 -11.410) 13.917 5.173 ( 6.958 -1.456 4.302) 8.310 5.318 ( -2.314 -10.437 0.337) 10.695 5.459 ( -9.926 -8.222 4.623) 13.693 5.556 ( 4.916 -8.598 -1.785) 10.064 5.627 ( -2.988 -5.549 -0.499) 6.323 5.747 ( 4.324 3.624 -9.938) 11.428 5.896 ( -10.339 -6.253 3.961) 12.715 5.967 ( 3.900 -5.636 6.925) 9.743 6.046 ( -3.973 -3.771 -5.947) 8.086 6.140 ( -0.115 0.654 -5.607) 5.647 6.183 ( -4.778 -3.422 7.719) 9.701 6.356 ( 8.825 5.664 -7.798) 13.068 6.470 ( -6.915 11.070 8.232) 15.431 6.492 ( 22.353 -8.247 2.396) 23.946 6.648 ( 15.628 -5.424 -5.123) 17.318 6.677 ( 2.724 -5.311 5.671) 8.233 6.811 ( 2.377 1.926 -4.354) 5.322 6.833 ( 0.487 -2.333 4.638) 5.214 6.946 ( -8.621 -0.064 -1.624) 8.773 7.104 ( -7.667 -2.538 -3.318) 8.731 7.116 ( -4.209 1.022 -3.197) 5.384 7.197 ( 0.342 5.734 5.789) 8.156 7.245 ( -3.019 -0.908 -5.043) 5.947 7.346 ( 5.558 -0.142 7.675) 9.478 7.417 ( -0.290 -2.108 -10.244) 10.462 7.511 ( 8.222 2.262 2.772) 8.966 7.608 ( -0.951 2.097 0.542) 2.365 7.684 ( 7.189 9.677 3.198) 12.472 7.752 ( 2.137 6.949 -2.618) 7.728 7.877 ( 7.368 5.307 3.933) 9.896 7.962 ( 1.033 0.367 -1.667) 1.995 7.993 ( 6.199 2.142 7.387) 9.879 8.027 ( 6.875 -2.735 -0.893) 7.453 8.123 ( -4.217 5.421 -6.372) 9.369 8.177 ( -4.575 4.537 -4.161) 7.670 8.234 ( 5.096 8.311 -1.537) 9.869 8.321 ( 7.933 -1.338 6.746) 10.499 8.375 ( -8.143 -0.548 2.272) 8.471 8.449 ( -4.416 -1.423 -1.896) 5.012 8.492 ( 5.229 12.180 1.253) 13.314 8.540 ( 1.758 0.292 0.664) 1.901 8.718 ( 9.038 -11.118 -3.539) 14.758 8.789 ( 2.086 -7.202 -0.152) 7.499 8.933 ( 7.652 -3.079 -0.801) 8.287 9.109 ( -1.767 -0.069 -3.377) 3.812 9.164 ( -5.254 -0.716 0.074) 5.303 9.181 ( 2.906 15.270 2.150) 15.692 9.235 ( -5.914 10.704 -0.114) 12.229 9.333 ( -9.168 13.756 2.701) 16.750 9.510 ( -2.100 4.494 -5.959) 7.754 9.532 ( -4.065 3.089 2.399) 5.641 9.726 ( 5.810 1.501 9.591) 11.313 9.868 ( 1.070 6.331 -0.061) 6.421 9.936 ( -7.202 8.250 -8.149) 13.651 10.019 ( -7.739 4.169 1.848) 8.983 10.106 ( -1.480 -3.627 -0.082) 3.918 10.215 ( -10.161 -1.530 -1.971) 10.463 10.358 ( 0.712 2.532 0.908) 2.782 10.409 ( -4.607 1.948 1.328) 5.175 10.509 ( 3.754 1.399 0.290) 4.017 10.602 ( -4.219 3.489 0.451) 5.494 10.680 ( -0.772 2.815 -1.579) 3.318 10.729 ( -4.921 1.650 -1.214) 5.331 10.782 ( -0.490 0.634 0.859) 1.174 10.792 ( -1.431 0.675 0.124) 1.587 11.009 ( -1.806 -0.445 2.077) 2.788 11.019 ( -2.401 -0.746 -1.039) 2.720 11.081 ( -1.829 2.631 -0.701) 3.280 11.130 ( -7.142 2.503 0.154) 7.570 11.223 ( 0.501 1.380 5.444) 5.639 11.255 ( -1.763 0.459 -5.782) 6.063 11.604 ( 1.995 2.664 6.461) 7.268 11.669 ( -4.359 2.499 -6.289) 8.049 12.140 ( 4.869 -3.081 1.215) 5.889 12.208 ( -2.601 -4.431 -0.793) 5.199 12.697 ( 3.536 -2.203 0.288) 4.176 12.768 ( -3.888 -2.993 -0.842) 4.978 12.832 ( 1.887 -1.312 -0.076) 2.300 12.860 ( -0.862 -2.226 0.228) 2.398 12.924 ( 1.690 0.025 0.053) 1.691 12.932 ( 0.532 0.543 0.339) 0.833 13.069 ( 0.694 1.520 2.380) 2.908 13.091 ( -0.831 -0.323 -1.857) 2.060 13.154 ( 3.130 0.178 0.156) 3.139 13.208 ( -1.733 -0.932 -0.704) 2.089 13.233 ( 4.462 -1.218 -0.067) 4.625 13.295 ( 2.684 0.973 0.588) 2.915 13.303 ( -2.147 -1.391 -0.007) 2.559 13.355 ( -2.594 0.498 0.118) 2.644 13.420 ( -0.929 -0.189 0.701) 1.179 13.428 ( -2.148 1.055 -1.985) 3.109 13.616 ( 3.150 -1.362 1.901) 3.923 13.667 ( -1.609 -1.024 -1.480) 2.414 13.782 ( 1.351 0.061 -1.046) 1.710 13.817 ( -2.889 -1.434 1.537) 3.573 13.935 ( 0.863 2.285 -1.628) 2.935 13.939 ( 0.185 1.573 1.446) 2.145 14.081 ( 4.646 1.621 0.145) 4.923 14.135 ( -0.647 0.719 -0.502) 1.090 14.264 ( 1.820 0.237 1.318) 2.260 14.294 ( -1.651 1.675 -0.818) 2.490 14.388 ( 1.313 1.003 -0.121) 1.657 14.410 ( -0.746 -0.461 -0.157) 0.891 14.972 ( 2.935 0.854 -2.795) 4.142 15.022 ( -3.182 -0.227 4.145) 5.231 15.217 ( 1.709 -3.237 -0.854) 3.758 15.250 ( -2.125 -3.095 -0.418) 3.778 15.377 ( 2.073 -3.518 -0.314) 4.096 15.392 ( 1.179 -3.122 0.494) 3.374 15.665 ( 1.751 0.041 0.256) 1.770 15.714 ( -3.012 0.389 -0.685) 3.114 15.903 ( 0.961 -2.715 0.813) 2.992 15.916 ( -0.469 -2.677 -0.636) 2.792 16.165 ( 4.751 -0.594 0.001) 4.788 16.255 ( -5.360 -2.119 0.104) 5.765 ======================= Grid point 175 (66/72) ======================= q-point: (-0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.446 ( 8.126 23.634 -17.266) 30.376 4.446 ( -8.126 23.634 17.266) 30.376 4.903 ( -8.547 4.657 -6.924) 11.945 4.903 ( 8.547 4.657 6.924) 11.945 5.140 ( -1.495 2.865 -4.008) 5.148 5.140 ( 1.495 2.865 4.008) 5.148 5.521 ( 1.533 7.173 -3.811) 8.266 5.521 ( -1.533 7.173 3.811) 8.266 5.657 ( -4.067 -10.812 -1.691) 11.675 5.657 ( 4.067 -10.812 1.691) 11.675 5.832 ( 10.390 -0.429 -10.418) 14.719 5.832 ( -10.390 -0.429 10.418) 14.719 5.975 ( -1.493 9.493 -8.970) 13.146 5.975 ( 1.493 9.493 8.970) 13.146 6.154 ( 0.478 3.121 -5.276) 6.149 6.154 ( -0.478 3.121 5.276) 6.149 6.254 ( 0.767 1.178 -9.981) 10.079 6.254 ( -0.767 1.178 9.981) 10.079 6.689 ( -5.477 10.244 -3.392) 12.101 6.689 ( 5.477 10.244 3.392) 12.101 6.752 ( -2.745 2.737 -6.126) 7.250 6.752 ( 2.745 2.737 6.126) 7.250 6.912 ( -8.688 -3.609 -3.653) 10.092 6.912 ( 8.688 -3.609 3.653) 10.092 7.037 ( 0.655 -0.094 -5.118) 5.161 7.037 ( -0.655 -0.094 5.118) 5.161 7.237 ( 3.464 1.606 -1.900) 4.265 7.237 ( -3.464 1.606 1.900) 4.265 7.330 ( -1.212 11.572 -6.410) 13.284 7.330 ( 1.212 11.572 6.410) 13.284 7.440 ( -0.536 8.616 -6.937) 11.074 7.440 ( 0.536 8.616 6.937) 11.074 7.652 ( -1.193 -2.270 -6.365) 6.862 7.652 ( 1.193 -2.270 6.365) 6.862 7.744 ( -3.037 11.556 -3.791) 12.536 7.744 ( 3.037 11.556 3.791) 12.536 7.997 ( -1.604 4.847 -4.688) 6.931 7.997 ( 1.604 4.847 4.688) 6.931 8.110 ( -0.943 1.704 -13.374) 13.515 8.110 ( 0.943 1.704 13.374) 13.515 8.231 ( -5.718 -1.445 -4.462) 7.395 8.231 ( 5.718 -1.445 4.462) 7.395 8.436 ( -4.307 -3.915 -3.751) 6.925 8.436 ( 4.307 -3.915 3.751) 6.925 8.542 ( -5.142 -2.242 -2.338) 6.077 8.542 ( 5.142 -2.242 2.338) 6.077 8.816 ( -7.806 5.027 -7.764) 12.103 8.816 ( 7.806 5.027 7.764) 12.103 8.937 ( -1.452 2.087 -2.663) 3.682 8.937 ( 1.452 2.087 2.663) 3.682 9.247 ( 6.133 0.512 -7.552) 9.742 9.247 ( -6.133 0.512 7.552) 9.742 9.280 ( -1.689 -14.254 -3.392) 14.749 9.280 ( 1.689 -14.254 3.392) 14.749 9.454 ( -5.662 -6.620 -1.679) 8.871 9.454 ( 5.662 -6.620 1.679) 8.871 9.816 ( -5.071 -5.315 -7.313) 10.366 9.816 ( 5.071 -5.315 7.313) 10.366 9.960 ( -10.176 -5.111 -5.945) 12.846 9.960 ( 10.176 -5.111 5.945) 12.846 10.162 ( -2.447 -0.092 -4.153) 4.821 10.162 ( 2.447 -0.092 4.153) 4.821 10.358 ( -4.233 -1.679 -0.898) 4.642 10.358 ( 4.233 -1.679 0.898) 4.642 10.530 ( -2.715 -0.652 -5.051) 5.771 10.530 ( 2.715 -0.652 5.051) 5.771 10.703 ( -0.514 -1.945 -1.108) 2.297 10.703 ( 0.514 -1.945 1.108) 2.297 10.785 ( 1.232 -0.930 -5.621) 5.829 10.785 ( -1.232 -0.930 5.621) 5.829 10.994 ( -0.108 2.770 -4.353) 5.161 10.994 ( 0.108 2.770 4.353) 5.161 11.099 ( -1.017 -5.503 0.045) 5.596 11.099 ( 1.017 -5.503 -0.045) 5.596 11.246 ( -2.689 -1.480 -4.861) 5.749 11.246 ( 2.689 -1.480 4.861) 5.749 11.605 ( -2.901 0.289 -9.136) 9.589 11.605 ( 2.901 0.289 9.136) 9.589 12.252 ( -2.717 -3.885 -3.787) 6.067 12.252 ( 2.717 -3.885 3.787) 6.067 12.774 ( -4.054 -2.079 0.041) 4.556 12.774 ( 4.054 -2.079 -0.041) 4.556 12.886 ( -0.650 -2.081 -0.364) 2.210 12.886 ( 0.650 -2.081 0.364) 2.210 12.926 ( -0.749 0.614 0.083) 0.972 12.926 ( 0.749 0.614 -0.083) 0.972 13.070 ( -2.969 0.132 -2.982) 4.210 13.070 ( 2.969 0.132 2.982) 4.210 13.189 ( -3.142 0.104 -1.413) 3.446 13.189 ( 3.142 0.104 1.413) 3.446 13.283 ( -2.138 0.778 0.221) 2.286 13.283 ( 2.138 0.778 -0.221) 2.286 13.305 ( -3.859 0.825 -1.671) 4.286 13.305 ( 3.859 0.825 1.671) 4.286 13.413 ( 0.427 -0.285 -0.772) 0.927 13.413 ( -0.427 -0.285 0.772) 0.927 13.661 ( 0.110 -0.062 -6.234) 6.235 13.661 ( -0.110 -0.062 6.234) 6.235 13.797 ( 1.009 0.860 -1.039) 1.685 13.797 ( -1.009 0.860 1.039) 1.685 13.918 ( -1.092 -0.198 -0.556) 1.241 13.918 ( 1.092 -0.198 0.556) 1.241 14.082 ( -3.476 2.657 -0.616) 4.419 14.082 ( 3.476 2.657 0.616) 4.419 14.248 ( -1.290 2.148 -0.662) 2.591 14.248 ( 1.290 2.148 0.662) 2.591 14.390 ( -1.908 0.966 -2.362) 3.187 14.390 ( 1.908 0.966 2.362) 3.187 14.974 ( 0.936 1.972 -6.389) 6.751 14.974 ( -0.936 1.972 6.389) 6.751 15.272 ( 1.474 -0.896 -1.788) 2.485 15.272 ( -1.474 -0.896 1.788) 2.485 15.452 ( 0.107 -3.030 -0.570) 3.085 15.452 ( -0.107 -3.030 0.570) 3.085 15.667 ( 0.016 1.538 -5.696) 5.900 15.667 ( -0.016 1.538 5.696) 5.900 15.943 ( -0.708 -0.919 -0.581) 1.297 15.943 ( 0.708 -0.919 0.581) 1.297 16.246 ( -5.762 -2.395 -0.341) 6.249 16.246 ( 5.762 -2.395 0.341) 6.249 ======================= Grid point 184 (67/72) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 40.636 0.000 -14.640) 43.193 3.688 ( 33.003 0.000 24.085) 40.857 4.008 ( 42.789 0.000 -8.936) 43.712 4.170 ( 40.602 0.000 9.137) 41.618 4.702 ( 32.069 0.000 -17.594) 36.579 4.737 ( 23.974 0.000 -8.875) 25.564 4.961 ( 14.088 0.000 -7.661) 16.036 5.082 ( 5.122 0.000 33.282) 33.674 5.223 ( -13.058 -0.000 -3.147) 13.432 5.301 ( 18.758 0.000 2.715) 18.953 5.429 ( -8.526 -0.000 -4.227) 9.517 5.444 ( 13.443 0.000 -8.477) 15.893 5.549 ( 1.889 0.000 6.694) 6.955 5.657 ( -2.835 -0.000 -0.504) 2.879 5.729 ( 7.195 0.000 -1.654) 7.383 5.730 ( 50.674 0.000 -5.633) 50.986 5.837 ( -6.693 -0.000 8.394) 10.735 6.053 ( 46.027 0.000 21.475) 50.790 6.323 ( -11.254 -0.000 -7.348) 13.441 6.338 ( -1.866 -0.000 -8.059) 8.272 6.370 ( 2.910 0.000 -20.136) 20.345 6.448 ( -5.892 -0.000 -0.378) 5.904 6.547 ( 37.591 0.000 -17.654) 41.530 6.647 ( 23.186 0.000 11.108) 25.710 6.786 ( -3.521 -0.000 20.136) 20.442 6.920 ( -16.360 -0.000 -0.983) 16.390 7.036 ( -13.706 -0.000 10.123) 17.039 7.058 ( 2.146 0.000 -15.129) 15.280 7.294 ( -14.384 -0.000 -5.023) 15.236 7.349 ( 24.894 0.000 -13.610) 28.371 7.391 ( -1.096 -0.000 3.802) 3.957 7.465 ( 13.417 0.000 11.322) 17.556 7.585 ( -10.006 -0.000 -3.282) 10.531 7.604 ( 24.709 0.000 10.929) 27.018 7.685 ( 8.368 0.000 5.373) 9.945 7.853 ( 4.450 0.000 1.097) 4.583 8.100 ( -2.509 -0.000 1.214) 2.788 8.185 ( -0.355 -0.000 -2.271) 2.299 8.229 ( -14.361 -0.000 -1.083) 14.402 8.368 ( -7.393 -0.000 10.417) 12.774 8.594 ( -1.853 -0.000 -9.311) 9.494 8.673 ( -1.559 -0.000 -19.484) 19.546 8.756 ( -9.287 -0.000 5.226) 10.656 8.778 ( -0.642 -0.000 5.840) 5.875 8.984 ( 0.838 0.000 -11.698) 11.727 9.033 ( -5.844 -0.000 1.875) 6.137 9.150 ( -4.333 -0.000 1.825) 4.701 9.161 ( -7.556 -0.000 3.370) 8.274 9.284 ( -5.604 -0.000 3.361) 6.535 9.459 ( -2.397 -0.000 0.705) 2.499 9.470 ( -11.336 -0.000 1.191) 11.398 9.506 ( -4.410 -0.000 1.911) 4.806 9.577 ( -12.811 -0.000 0.226) 12.813 9.647 ( -6.504 -0.000 -1.106) 6.597 9.713 ( -8.599 -0.000 -1.658) 8.757 9.771 ( -13.284 -0.000 5.171) 14.255 10.025 ( -12.164 -0.000 8.611) 14.903 10.191 ( -11.550 -0.000 -4.611) 12.436 10.333 ( -17.818 -0.000 -4.152) 18.295 10.422 ( -1.546 -0.000 -3.376) 3.713 10.424 ( -2.951 -0.000 1.985) 3.557 10.516 ( -2.714 -0.000 0.334) 2.734 10.549 ( -4.148 -0.000 -7.297) 8.393 10.658 ( -3.520 -0.000 1.527) 3.836 10.702 ( -3.112 -0.000 -1.200) 3.336 10.856 ( -10.485 -0.000 4.029) 11.232 10.950 ( -7.140 -0.000 -4.187) 8.277 11.067 ( -12.373 -0.000 4.957) 13.329 11.190 ( -2.364 -0.000 3.184) 3.965 11.282 ( -2.480 -0.000 -0.577) 2.546 11.308 ( 0.494 0.000 -0.272) 0.563 11.318 ( -0.233 -0.000 0.989) 1.016 11.438 ( -0.318 -0.000 1.163) 1.206 11.445 ( 0.107 0.000 -5.025) 5.026 11.488 ( 4.368 0.000 3.773) 5.771 11.630 ( -1.560 -0.000 -2.071) 2.593 11.839 ( -4.549 -0.000 -4.441) 6.357 11.856 ( -5.634 -0.000 6.038) 8.259 12.082 ( -6.830 -0.000 -5.448) 8.737 12.172 ( -9.309 -0.000 3.269) 9.866 12.655 ( -1.084 -0.000 -0.621) 1.249 12.666 ( -2.302 -0.000 0.554) 2.368 12.791 ( 1.575 0.000 -0.113) 1.579 12.817 ( 1.120 0.000 0.127) 1.127 12.896 ( 3.617 0.000 0.252) 3.625 12.929 ( 2.571 0.000 0.039) 2.572 13.002 ( 1.700 0.000 1.537) 2.292 13.011 ( -0.676 -0.000 -2.336) 2.432 13.074 ( 2.170 0.000 0.294) 2.190 13.097 ( 0.976 0.000 0.661) 1.179 13.233 ( 2.458 0.000 -1.086) 2.687 13.271 ( 3.520 0.000 0.928) 3.640 13.319 ( 4.199 0.000 0.415) 4.219 13.361 ( -0.877 -0.000 0.961) 1.301 13.413 ( 1.297 0.000 -0.312) 1.334 13.459 ( -1.108 -0.000 -1.557) 1.911 13.550 ( 5.775 0.000 -3.390) 6.697 13.575 ( 3.159 0.000 4.141) 5.208 13.719 ( 1.567 0.000 -0.883) 1.799 13.764 ( 1.473 0.000 0.353) 1.514 13.952 ( 1.261 0.000 -2.567) 2.860 13.983 ( 3.810 0.000 2.912) 4.795 14.022 ( 0.178 0.000 -1.704) 1.713 14.047 ( 2.557 0.000 2.427) 3.525 14.149 ( -0.496 -0.000 -1.410) 1.495 14.162 ( -0.294 -0.000 0.166) 0.337 14.414 ( 0.551 0.000 0.509) 0.750 14.452 ( -1.035 -0.000 -0.299) 1.077 14.808 ( 0.945 0.000 -3.653) 3.773 14.875 ( -1.074 -0.000 4.094) 4.232 15.017 ( -0.410 -0.000 1.863) 1.907 15.018 ( 0.791 0.000 -1.501) 1.697 15.336 ( -1.845 -0.000 -0.742) 1.989 15.377 ( -2.970 -0.000 3.239) 4.395 15.552 ( 1.326 0.000 -6.812) 6.940 15.566 ( -0.924 -0.000 4.045) 4.149 15.771 ( -0.364 -0.000 2.642) 2.667 15.795 ( -1.198 -0.000 -2.440) 2.718 16.217 ( 3.062 0.000 -6.711) 7.377 16.299 ( -0.023 -0.000 6.141) 6.141 ======================= Grid point 185 (68/72) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 38.794 -4.630 -7.403) 39.765 4.071 ( 32.255 -8.706 13.611) 36.076 4.377 ( 35.540 -3.788 -6.088) 36.256 4.604 ( 30.744 -9.367 4.973) 32.522 4.877 ( -8.981 -3.165 0.103) 9.523 4.953 ( -9.436 1.556 8.170) 12.578 5.010 ( 8.489 -2.171 -6.060) 10.654 5.060 ( 23.104 -7.356 -18.696) 30.618 5.294 ( -4.413 -8.224 -0.841) 9.371 5.398 ( -13.565 -3.403 7.121) 15.694 5.461 ( 10.348 -3.943 7.818) 13.555 5.521 ( 2.205 -3.876 3.997) 5.988 5.613 ( -2.779 -2.172 3.786) 5.174 5.656 ( 3.801 -3.503 -5.745) 7.728 5.812 ( 5.414 -2.333 -1.031) 5.985 5.878 ( 1.531 -5.239 2.895) 6.179 6.083 ( -13.429 -3.224 -2.432) 14.023 6.202 ( 23.149 -3.913 -5.553) 24.125 6.241 ( 13.674 0.106 -5.855) 14.875 6.367 ( -0.953 -4.252 4.414) 6.203 6.545 ( 18.585 -2.909 -8.203) 20.522 6.657 ( 10.867 -6.747 -3.178) 13.180 6.723 ( -0.609 -2.996 8.942) 9.450 6.799 ( 14.180 -0.821 9.970) 17.354 6.877 ( 4.830 -4.687 7.373) 9.983 6.940 ( 6.094 3.369 1.455) 7.114 6.985 ( 26.727 -4.601 0.864) 27.134 7.108 ( 9.694 -3.105 -12.344) 16.000 7.212 ( -10.921 -4.814 -9.163) 15.047 7.426 ( -2.126 -6.345 4.578) 8.107 7.504 ( -2.691 -4.099 -2.258) 5.399 7.574 ( 12.154 -1.452 -7.599) 14.408 7.593 ( 8.913 -1.659 3.383) 9.677 7.754 ( 7.034 0.876 3.833) 8.058 7.793 ( 14.099 5.137 5.374) 15.939 7.881 ( 6.686 3.327 0.496) 7.485 7.965 ( -15.896 4.275 0.197) 16.462 7.998 ( 0.988 10.547 2.166) 10.812 8.164 ( -4.640 0.347 2.440) 5.254 8.291 ( -8.470 3.236 2.772) 9.481 8.567 ( -2.842 2.587 -11.941) 12.544 8.596 ( -1.883 5.900 -5.276) 8.136 8.641 ( -1.607 2.135 2.573) 3.710 8.768 ( -0.553 1.726 6.934) 7.167 8.972 ( -1.048 6.780 -3.175) 7.560 9.002 ( -3.891 0.507 -5.832) 7.029 9.052 ( -1.998 0.489 2.769) 3.449 9.131 ( -5.700 2.411 -2.680) 6.744 9.157 ( -6.582 7.567 1.293) 10.112 9.260 ( -3.717 5.284 7.696) 10.049 9.405 ( -2.605 7.194 0.034) 7.651 9.438 ( -6.620 4.298 -0.652) 7.919 9.524 ( -5.396 -2.148 4.077) 7.096 9.578 ( -7.901 5.546 -2.531) 9.979 9.636 ( -10.424 -0.555 1.075) 10.494 9.704 ( -8.075 -6.375 1.001) 10.337 9.895 ( -21.033 -5.110 -4.476) 22.102 10.149 ( -15.829 -0.276 -0.494) 15.839 10.159 ( -3.208 0.053 7.992) 8.612 10.352 ( -2.359 4.640 -3.240) 6.131 10.396 ( -0.367 2.734 -3.096) 4.147 10.474 ( -0.443 2.654 -0.218) 2.700 10.512 ( -0.893 1.976 -4.992) 5.443 10.641 ( -2.523 -0.032 1.860) 3.135 10.685 ( -3.492 -1.245 -1.962) 4.194 10.738 ( -11.021 1.802 3.183) 11.612 10.857 ( -4.529 3.492 -2.215) 6.133 10.979 ( -10.363 -0.569 3.553) 10.970 11.145 ( -0.308 5.687 2.522) 6.229 11.187 ( -1.678 6.192 -1.453) 6.578 11.227 ( -0.364 7.199 -1.200) 7.308 11.279 ( -2.237 3.280 2.507) 4.695 11.359 ( -0.365 7.891 -1.448) 8.031 11.396 ( -2.497 5.580 -1.658) 6.334 11.504 ( 3.942 3.346 3.128) 6.044 11.595 ( -0.962 3.481 -0.794) 3.698 11.784 ( -2.591 2.769 0.309) 3.805 11.824 ( -3.565 0.199 -0.346) 3.587 12.034 ( -3.947 -0.769 -4.598) 6.108 12.103 ( -8.044 -0.804 3.342) 8.747 12.641 ( -0.869 0.226 0.178) 0.916 12.657 ( -1.578 -0.705 -0.228) 1.743 12.796 ( 1.792 0.686 -0.498) 1.983 12.822 ( 0.440 0.289 0.588) 0.789 12.913 ( 2.082 0.395 -0.155) 2.125 12.931 ( 0.721 0.975 0.068) 1.214 13.028 ( 2.490 -0.621 1.226) 2.844 13.042 ( 1.138 -2.819 -1.496) 3.388 13.093 ( 1.492 -0.587 0.119) 1.607 13.135 ( -0.242 -2.704 0.408) 2.745 13.253 ( 2.168 0.320 -0.591) 2.270 13.276 ( 2.242 2.350 1.143) 3.444 13.328 ( 2.698 1.526 -0.284) 3.113 13.377 ( 0.930 -1.129 1.532) 2.118 13.396 ( -0.055 1.330 -0.723) 1.515 13.468 ( -1.695 -1.061 -2.014) 2.838 13.592 ( 3.695 0.188 -0.095) 3.701 13.611 ( 2.753 -0.844 0.774) 2.982 13.742 ( 1.274 -0.751 0.493) 1.559 13.771 ( 0.091 0.000 -0.621) 0.628 13.961 ( 3.059 -0.340 -0.358) 3.098 14.023 ( 2.203 -0.620 1.646) 2.819 14.052 ( -0.207 -1.838 -1.523) 2.395 14.066 ( 0.255 -0.328 -0.814) 0.914 14.113 ( 2.582 0.159 2.377) 3.513 14.216 ( -1.068 -3.913 -1.407) 4.293 14.413 ( 0.769 0.753 0.157) 1.088 14.437 ( -0.763 0.479 0.115) 0.908 14.837 ( 1.348 -2.259 -4.146) 4.910 14.893 ( -1.802 -2.814 4.469) 5.581 15.022 ( 0.916 -1.419 0.754) 1.850 15.058 ( -0.549 -3.077 -0.621) 3.187 15.304 ( -0.259 1.330 -0.103) 1.359 15.358 ( -2.565 0.007 1.723) 3.090 15.568 ( 1.051 -1.460 -4.704) 5.036 15.590 ( -0.994 -2.825 3.065) 4.285 15.775 ( -0.164 -0.643 2.234) 2.330 15.791 ( -0.649 -0.806 -2.248) 2.475 16.226 ( 2.972 1.525 -6.362) 7.185 16.286 ( -0.944 1.310 6.021) 6.234 ======================= Grid point 186 (69/72) ======================= q-point: ( 0.55 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.128 ( 34.495 -8.150 -2.530) 35.535 4.542 ( 30.311 -11.086 0.894) 32.287 4.687 ( -22.802 -5.629 3.062) 23.685 4.770 ( 17.825 -7.670 -3.015) 19.638 4.929 ( -3.999 -3.553 12.624) 13.710 4.949 ( 5.487 -8.462 -3.918) 10.820 5.165 ( -2.210 -4.137 -0.515) 4.719 5.260 ( -15.449 -3.757 -1.777) 15.999 5.323 ( 3.971 -3.865 -6.724) 8.713 5.428 ( 4.964 -4.705 -5.294) 8.649 5.578 ( -2.076 -8.285 7.204) 11.174 5.621 ( -2.326 -7.713 -0.270) 8.061 5.713 ( 1.827 -8.391 2.069) 8.833 5.766 ( 2.840 -4.946 -1.372) 5.866 5.914 ( 3.147 -5.639 -2.672) 6.989 5.982 ( -3.644 -5.831 2.911) 7.466 6.159 ( 0.256 -12.981 3.971) 13.577 6.237 ( -4.017 -6.958 -5.044) 9.487 6.511 ( 18.755 -1.817 -4.010) 19.265 6.558 ( 9.714 -6.495 1.523) 11.784 6.717 ( 4.213 -2.739 -0.014) 5.025 6.740 ( -2.983 1.482 8.320) 8.962 6.768 ( 1.285 -5.667 -14.395) 15.523 6.865 ( -4.138 -0.915 18.896) 19.365 6.940 ( 16.626 2.691 -7.767) 18.547 7.114 ( 6.948 -10.144 5.909) 13.642 7.162 ( 3.231 -1.166 -9.410) 10.018 7.285 ( -0.596 -2.567 -2.660) 3.745 7.424 ( 22.611 -3.055 6.766) 23.799 7.537 ( 0.802 2.431 -3.830) 4.607 7.578 ( -4.302 3.828 -4.661) 7.409 7.608 ( 10.624 -11.457 3.209) 15.951 7.657 ( 4.054 3.622 1.974) 5.784 7.739 ( -0.088 -2.066 -1.552) 2.586 7.797 ( 2.627 -3.286 -1.226) 4.382 7.823 ( 4.192 -2.327 0.652) 4.839 7.871 ( -1.528 2.576 5.797) 6.525 7.951 ( 4.695 -2.467 2.613) 5.913 8.101 ( -13.907 -1.326 -3.783) 14.473 8.148 ( -8.404 2.227 -5.302) 10.183 8.449 ( 2.980 10.023 2.582) 10.771 8.527 ( 5.876 6.388 -3.274) 9.277 8.565 ( 4.081 6.458 3.338) 8.337 8.691 ( -2.550 8.675 3.879) 9.839 8.764 ( 0.792 11.714 1.659) 11.858 8.874 ( 2.298 11.533 -2.505) 12.024 8.927 ( -2.935 11.472 -2.991) 12.213 9.011 ( -9.495 1.305 -3.105) 10.075 9.095 ( -4.323 1.229 2.409) 5.099 9.127 ( -1.984 1.513 3.949) 4.671 9.202 ( -7.579 9.893 -3.550) 12.958 9.257 ( -6.242 7.802 -0.825) 10.026 9.486 ( 0.632 -0.289 2.691) 2.779 9.544 ( -1.263 0.042 2.363) 2.680 9.589 ( 2.279 -1.122 -1.899) 3.171 9.754 ( -7.723 -4.992 -1.526) 9.322 9.876 ( -7.865 -6.626 1.754) 10.433 10.013 ( -17.221 -3.041 -3.629) 17.860 10.173 ( 3.027 4.753 5.322) 7.751 10.226 ( 2.642 7.419 0.884) 7.925 10.283 ( -3.475 8.501 -2.386) 9.488 10.336 ( -3.567 11.683 -1.469) 12.303 10.505 ( 5.117 0.210 -1.919) 5.469 10.584 ( -3.680 2.984 1.515) 4.974 10.628 ( -3.214 5.525 -1.460) 6.557 10.650 ( -5.726 1.150 0.264) 5.846 10.788 ( -0.129 1.017 -1.827) 2.095 10.841 ( -6.129 6.269 3.512) 9.445 11.020 ( -0.044 5.730 -0.784) 5.784 11.058 ( -4.005 7.461 -0.128) 8.469 11.118 ( 1.612 6.842 -1.631) 7.216 11.154 ( -2.930 9.225 3.028) 10.142 11.182 ( -0.424 7.014 -1.956) 7.294 11.220 ( -4.218 7.117 0.157) 8.275 11.431 ( 2.269 7.546 2.380) 8.231 11.474 ( -2.469 7.890 -0.504) 8.283 11.720 ( 0.914 3.185 1.569) 3.667 11.766 ( -3.653 2.288 -2.608) 5.038 12.042 ( 0.023 -2.256 -1.441) 2.676 12.078 ( -4.453 -2.473 1.443) 5.294 12.642 ( 0.648 -0.706 0.766) 1.227 12.665 ( -1.696 -1.813 -0.848) 2.623 12.805 ( 1.352 -0.254 -1.119) 1.773 12.817 ( -0.233 0.203 1.197) 1.236 12.922 ( 0.970 0.037 -0.442) 1.067 12.931 ( 0.177 -0.436 0.412) 0.625 13.063 ( 2.250 -0.839 0.598) 2.475 13.088 ( -0.670 -1.305 -0.832) 1.686 13.134 ( 2.948 -2.090 -0.247) 3.621 13.174 ( -1.476 -2.147 0.640) 2.683 13.240 ( 1.145 2.680 0.853) 3.037 13.248 ( 0.050 1.085 0.106) 1.092 13.333 ( 3.420 0.834 -0.659) 3.581 13.375 ( -0.798 0.676 -0.058) 1.047 13.407 ( 1.354 -0.789 0.783) 1.751 13.453 ( -2.943 0.148 -2.112) 3.626 13.609 ( 2.086 0.532 2.618) 3.390 13.636 ( -0.155 -0.368 -1.786) 1.830 13.760 ( 1.240 -0.543 -0.135) 1.361 13.779 ( -0.473 -0.812 0.227) 0.966 13.994 ( 2.711 0.888 2.447) 3.758 14.023 ( -0.076 1.896 -2.747) 3.338 14.066 ( 1.962 -1.996 0.495) 2.842 14.099 ( -1.259 -2.641 -1.796) 3.433 14.192 ( 4.534 -3.227 4.159) 6.947 14.266 ( -2.866 -3.316 -3.056) 5.344 14.406 ( 1.220 0.765 0.885) 1.690 14.422 ( -0.565 0.661 -0.349) 0.937 14.902 ( 1.878 -3.531 -4.234) 5.825 14.938 ( -2.621 -3.666 4.579) 6.425 15.079 ( 1.606 -3.412 0.937) 3.885 15.112 ( -1.794 -3.953 -1.049) 4.465 15.302 ( 2.096 -0.268 -0.127) 2.117 15.338 ( -1.694 -0.119 0.781) 1.869 15.614 ( 1.714 -2.454 -3.421) 4.546 15.642 ( -1.862 -3.625 2.929) 5.019 15.799 ( 0.491 -1.916 1.283) 2.357 15.812 ( -0.555 -2.209 -1.646) 2.810 16.210 ( 2.611 2.330 -3.172) 4.723 16.248 ( -2.182 1.556 3.186) 4.163 ======================= Grid point 187 (70/72) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.564 ( -28.058 -9.088 5.003) 29.915 4.564 ( 28.058 -9.088 -5.003) 29.915 4.915 ( 17.402 -2.556 -11.807) 21.184 4.915 ( -17.402 -2.556 11.807) 21.184 5.093 ( 3.816 -9.603 -6.886) 12.418 5.093 ( -3.816 -9.603 6.886) 12.418 5.188 ( -11.030 -4.740 2.415) 12.246 5.188 ( 11.030 -4.740 -2.415) 12.246 5.480 ( 4.515 -5.549 -10.281) 12.525 5.480 ( -4.515 -5.549 10.281) 12.525 5.753 ( 1.519 -6.374 -5.078) 8.290 5.753 ( -1.519 -6.374 5.078) 8.290 5.879 ( -4.327 -7.897 -2.213) 9.272 5.879 ( 4.327 -7.897 2.213) 9.272 6.061 ( 0.846 -6.836 -7.237) 9.991 6.061 ( -0.846 -6.836 7.237) 9.991 6.427 ( 4.495 -13.606 -3.540) 14.760 6.427 ( -4.495 -13.606 3.540) 14.760 6.578 ( 6.891 7.829 -20.596) 23.086 6.578 ( -6.891 7.829 20.596) 23.086 6.748 ( 4.201 -4.187 -6.137) 8.535 6.748 ( -4.201 -4.187 6.137) 8.535 6.859 ( 1.632 -0.826 -8.646) 8.838 6.859 ( -1.632 -0.826 8.646) 8.838 7.058 ( -6.857 -0.619 -2.444) 7.306 7.058 ( 6.857 -0.619 2.444) 7.306 7.311 ( -1.713 2.723 -8.160) 8.772 7.311 ( 1.713 2.723 8.160) 8.772 7.378 ( -4.702 3.293 -2.021) 6.087 7.378 ( 4.702 3.293 2.021) 6.087 7.596 ( 6.006 1.157 -4.927) 7.854 7.596 ( -6.006 1.157 4.927) 7.854 7.825 ( 0.557 -0.034 -10.180) 10.195 7.825 ( -0.557 -0.034 10.180) 10.195 7.915 ( 1.206 -5.782 -3.794) 7.020 7.915 ( -1.206 -5.782 3.794) 7.020 8.047 ( -4.923 -8.379 -2.739) 10.096 8.047 ( 4.923 -8.379 2.739) 10.096 8.105 ( -7.557 -4.446 -4.939) 10.063 8.105 ( 7.557 -4.446 4.939) 10.063 8.303 ( -6.271 8.374 -3.069) 10.903 8.303 ( 6.271 8.374 3.069) 10.902 8.517 ( 5.796 11.882 -4.656) 14.016 8.517 ( -5.796 11.882 4.656) 14.016 8.587 ( -5.884 3.641 -9.463) 11.723 8.587 ( 5.884 3.641 9.463) 11.723 8.827 ( -4.847 11.317 -2.843) 12.635 8.827 ( 4.847 11.317 2.843) 12.635 9.037 ( -2.697 1.880 -5.595) 6.490 9.037 ( 2.697 1.880 5.595) 6.490 9.122 ( -3.385 0.318 -1.026) 3.551 9.122 ( 3.385 0.318 1.026) 3.551 9.506 ( -0.282 1.059 -7.823) 7.899 9.506 ( 0.282 1.059 7.823) 7.899 9.686 ( -10.751 6.278 -3.522) 12.938 9.686 ( 10.751 6.278 3.522) 12.938 9.858 ( 0.059 13.620 -4.675) 14.400 9.858 ( -0.059 13.620 4.675) 14.400 10.047 ( -4.819 -1.397 -3.622) 6.189 10.047 ( 4.819 -1.397 3.622) 6.189 10.166 ( -0.011 7.635 -4.481) 8.853 10.166 ( 0.011 7.635 4.481) 8.853 10.464 ( -2.259 7.674 -6.922) 10.579 10.464 ( 2.259 7.674 6.922) 10.579 10.574 ( -0.136 -0.124 -4.880) 4.883 10.574 ( 0.136 -0.124 4.880) 4.883 10.768 ( -1.060 2.321 -2.678) 3.698 10.768 ( 1.060 2.321 2.678) 3.698 10.845 ( -0.412 9.666 -6.918) 11.894 10.845 ( 0.412 9.666 6.918) 11.894 11.025 ( 0.696 3.239 -2.586) 4.203 11.025 ( -0.696 3.239 2.586) 4.203 11.128 ( -0.236 1.717 -3.988) 4.349 11.128 ( 0.236 1.717 3.988) 4.349 11.307 ( -1.422 6.952 -3.564) 7.940 11.307 ( 1.422 6.952 3.564) 7.940 11.684 ( -2.864 3.107 -4.454) 6.140 11.684 ( 2.864 3.107 4.454) 6.140 12.108 ( -2.338 -3.659 -0.787) 4.413 12.108 ( 2.338 -3.659 0.787) 4.413 12.685 ( -2.178 -2.367 -1.663) 3.621 12.685 ( 2.178 -2.367 1.663) 3.621 12.822 ( 0.322 -0.978 -1.797) 2.071 12.822 ( -0.322 -0.978 1.797) 2.071 12.934 ( 0.247 -0.180 -0.278) 0.414 12.934 ( -0.247 -0.180 0.278) 0.414 13.089 ( 0.312 0.006 -0.889) 0.943 13.089 ( -0.312 0.006 0.889) 0.943 13.181 ( 1.878 -0.110 -1.843) 2.633 13.181 ( -1.878 -0.110 1.843) 2.633 13.237 ( 0.754 -1.391 -3.233) 3.600 13.237 ( -0.754 -1.391 3.233) 3.600 13.347 ( -0.812 0.817 -1.017) 1.537 13.347 ( 0.812 0.817 1.017) 1.537 13.425 ( -0.882 0.278 -1.792) 2.017 13.425 ( 0.882 0.278 1.792) 2.017 13.627 ( -1.543 -0.485 -3.882) 4.206 13.627 ( 1.543 -0.485 3.882) 4.206 13.785 ( 1.056 -0.710 -2.918) 3.183 13.785 ( -1.056 -0.710 2.918) 3.183 13.979 ( -0.415 2.222 -2.390) 3.290 13.979 ( 0.415 2.222 2.390) 3.290 14.119 ( -2.167 -0.982 -0.986) 2.576 14.119 ( 2.167 -0.982 0.986) 2.576 14.277 ( -3.137 -1.428 -3.298) 4.770 14.277 ( 3.137 -1.428 3.298) 4.770 14.406 ( 0.013 0.428 -1.755) 1.806 14.406 ( -0.013 0.428 1.755) 1.806 14.977 ( 2.370 -2.474 -5.184) 6.214 14.977 ( -2.370 -2.474 5.184) 6.214 15.165 ( -1.983 -3.985 -0.989) 4.560 15.165 ( 1.983 -3.985 0.989) 4.560 15.341 ( -0.428 -1.973 -0.932) 2.224 15.341 ( 0.428 -1.973 0.932) 2.224 15.674 ( 0.149 -1.790 -4.287) 4.648 15.674 ( -0.149 -1.790 4.287) 4.648 15.855 ( -0.473 -3.200 -1.770) 3.687 15.855 ( 0.473 -3.200 1.770) 3.687 16.202 ( -0.342 0.747 -3.019) 3.129 16.202 ( 0.342 0.747 3.019) 3.129 ======================= Grid point 197 (71/72) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.993 ( 38.816 0.000 -7.040) 39.449 4.271 ( 30.726 0.000 12.891) 33.321 4.592 ( -12.208 -0.000 -0.529) 12.219 4.687 ( 11.518 0.000 -6.596) 13.273 4.751 ( 1.258 0.000 -3.478) 3.699 4.832 ( -2.700 -0.000 11.222) 11.542 5.123 ( 12.955 0.000 -10.628) 16.756 5.143 ( 5.245 0.000 -3.465) 6.287 5.249 ( -1.032 -0.000 3.830) 3.966 5.251 ( 3.743 0.000 -11.811) 12.390 5.493 ( -9.157 -0.000 12.327) 15.356 5.506 ( -7.434 -0.000 4.220) 8.548 5.541 ( 9.679 0.000 15.889) 18.605 5.666 ( 5.323 0.000 -8.610) 10.123 5.834 ( 0.280 0.000 -7.332) 7.338 5.846 ( -0.369 -0.000 1.643) 1.684 5.910 ( -7.012 -0.000 1.266) 7.126 6.079 ( -14.287 -0.000 -8.714) 16.734 6.317 ( 5.070 0.000 12.651) 13.629 6.536 ( -14.122 -0.000 -8.813) 16.646 6.597 ( 32.738 0.000 -16.032) 36.453 6.646 ( 16.571 0.000 -21.333) 27.013 6.699 ( -2.859 -0.000 22.977) 23.154 6.871 ( 3.910 0.000 11.887) 12.513 6.907 ( 0.004 0.000 24.127) 24.127 7.018 ( -10.507 -0.000 -9.089) 13.893 7.170 ( 12.658 0.000 -19.940) 23.618 7.179 ( 37.871 0.000 8.362) 38.784 7.273 ( 28.977 0.000 -1.686) 29.026 7.332 ( -1.321 -0.000 6.005) 6.149 7.427 ( 0.531 0.000 -4.194) 4.227 7.640 ( 1.386 0.000 -9.605) 9.704 7.645 ( 4.921 0.000 10.146) 11.276 7.760 ( -9.498 -0.000 4.583) 10.546 7.767 ( -17.894 -0.000 -4.356) 18.417 7.928 ( -8.552 -0.000 -0.073) 8.552 8.013 ( 10.359 0.000 -1.714) 10.500 8.104 ( -5.644 -0.000 -6.548) 8.645 8.151 ( 0.844 0.000 0.963) 1.281 8.234 ( -7.819 -0.000 8.159) 11.301 8.595 ( 2.440 0.000 -11.788) 12.038 8.629 ( 4.211 0.000 -5.219) 6.706 8.651 ( -0.081 -0.000 8.949) 8.950 8.767 ( -2.587 -0.000 7.218) 7.667 8.955 ( -2.600 -0.000 2.475) 3.590 8.958 ( -3.047 -0.000 -2.371) 3.861 9.115 ( 1.161 0.000 2.878) 3.104 9.137 ( 2.174 0.000 -8.000) 8.291 9.248 ( 2.002 0.000 3.720) 4.225 9.329 ( -0.738 -0.000 7.512) 7.548 9.366 ( -6.719 -0.000 -3.853) 7.745 9.482 ( -0.841 -0.000 4.344) 4.424 9.485 ( 1.551 0.000 2.260) 2.741 9.535 ( -6.674 -0.000 -0.829) 6.726 9.565 ( -7.354 -0.000 2.017) 7.625 9.588 ( -22.776 -0.000 -11.644) 25.579 9.660 ( 2.986 0.000 -0.579) 3.042 9.934 ( -23.960 -0.000 0.889) 23.976 10.206 ( 5.651 0.000 7.178) 9.136 10.331 ( -6.894 -0.000 -2.824) 7.450 10.466 ( 6.379 0.000 -8.116) 10.323 10.497 ( -0.006 -0.000 0.844) 0.844 10.511 ( -0.225 -0.000 -5.456) 5.461 10.606 ( -5.072 -0.000 5.795) 7.701 10.648 ( -2.427 -0.000 -0.042) 2.427 10.661 ( -8.387 -0.000 2.492) 8.749 10.853 ( -1.940 -0.000 -4.790) 5.168 10.890 ( -7.014 -0.000 4.818) 8.510 11.190 ( 1.592 0.000 1.147) 1.962 11.235 ( -3.014 -0.000 0.389) 3.039 11.307 ( 0.119 0.000 -0.658) 0.669 11.314 ( -0.535 -0.000 0.891) 1.039 11.442 ( 0.203 0.000 1.617) 1.630 11.443 ( 0.325 0.000 -3.033) 3.051 11.569 ( 3.837 0.000 3.263) 5.037 11.617 ( -1.054 -0.000 -2.407) 2.628 11.802 ( 0.558 0.000 -6.448) 6.472 11.811 ( -1.315 -0.000 6.708) 6.836 11.993 ( -1.680 -0.000 -5.349) 5.607 12.032 ( -6.486 -0.000 4.365) 7.818 12.640 ( -0.466 -0.000 -0.484) 0.672 12.640 ( -0.729 -0.000 0.481) 0.873 12.817 ( 1.182 0.000 0.041) 1.183 12.828 ( 0.028 0.000 -0.048) 0.055 12.939 ( 1.116 0.000 0.134) 1.124 12.947 ( 0.053 0.000 -0.109) 0.121 13.020 ( 1.709 0.000 -1.630) 2.362 13.034 ( 0.664 0.000 1.839) 1.955 13.100 ( 0.649 0.000 -0.166) 0.670 13.103 ( -0.044 -0.000 0.094) 0.104 13.275 ( 2.346 0.000 -1.017) 2.557 13.305 ( -0.622 -0.000 0.741) 0.968 13.363 ( 1.609 0.000 0.349) 1.647 13.374 ( 1.450 0.000 1.130) 1.838 13.426 ( 0.082 0.000 1.169) 1.172 13.434 ( -1.120 -0.000 -2.428) 2.673 13.623 ( 2.802 0.000 -5.902) 6.533 13.626 ( 1.381 0.000 5.605) 5.773 13.747 ( 1.586 0.000 0.641) 1.710 13.771 ( -0.715 -0.000 -0.505) 0.875 13.975 ( 1.605 0.000 -0.983) 1.882 14.001 ( -1.246 -0.000 -0.990) 1.591 14.052 ( 2.536 0.000 3.482) 4.307 14.076 ( 0.287 0.000 0.468) 0.549 14.141 ( 0.036 0.000 -2.746) 2.747 14.148 ( -1.037 -0.000 0.695) 1.248 14.424 ( 0.520 0.000 0.490) 0.714 14.435 ( -0.758 -0.000 -0.356) 0.837 14.827 ( 1.807 0.000 -5.138) 5.446 14.854 ( -1.951 -0.000 5.498) 5.834 15.019 ( 0.363 0.000 0.852) 0.926 15.024 ( 0.055 0.000 -1.026) 1.028 15.315 ( -0.086 -0.000 -1.518) 1.520 15.332 ( -2.255 -0.000 2.463) 3.340 15.558 ( 0.546 0.000 -6.146) 6.170 15.559 ( -0.544 -0.000 5.235) 5.263 15.770 ( -0.086 -0.000 2.857) 2.859 15.777 ( -0.468 -0.000 -2.698) 2.738 16.263 ( 3.041 0.000 -8.443) 8.974 16.294 ( -1.666 -0.000 8.131) 8.300 ======================= Grid point 198 (72/72) ======================= q-point: ( 0.55 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.339 ( -34.545 -2.660 3.097) 34.785 4.339 ( 34.545 -2.660 -3.097) 34.785 4.614 ( -26.644 -7.561 -5.492) 28.235 4.614 ( 26.644 -7.561 5.492) 28.235 4.893 ( 6.669 -1.852 -8.069) 10.631 4.893 ( -6.669 -1.852 8.069) 10.631 5.114 ( -4.201 -0.497 -5.255) 6.746 5.114 ( 4.201 -0.497 5.255) 6.746 5.385 ( 15.099 -3.438 -17.528) 23.388 5.385 ( -15.099 -3.438 17.528) 23.388 5.432 ( 11.387 -3.896 -6.673) 13.761 5.432 ( -11.387 -3.896 6.673) 13.761 5.669 ( -7.347 -2.754 -13.401) 15.529 5.669 ( 7.347 -2.754 13.401) 15.529 5.863 ( -0.223 -3.804 -3.038) 4.873 5.863 ( 0.223 -3.804 3.038) 4.873 6.018 ( -9.985 -6.670 -6.688) 13.745 6.018 ( 9.985 -6.670 6.688) 13.745 6.464 ( -10.524 -5.949 -11.650) 16.789 6.464 ( 10.524 -5.949 11.650) 16.789 6.701 ( 5.039 -2.075 -23.455) 24.080 6.701 ( -5.039 -2.075 23.455) 24.080 6.836 ( 14.296 1.277 -22.395) 26.600 6.836 ( -14.296 1.277 22.395) 26.600 6.998 ( -5.158 -6.642 -9.655) 12.804 6.998 ( 5.158 -6.642 9.655) 12.804 7.253 ( -3.218 5.205 -4.921) 7.853 7.253 ( 3.218 5.205 4.921) 7.853 7.409 ( 1.357 -8.037 -6.381) 10.351 7.409 ( -1.357 -8.037 6.381) 10.351 7.631 ( -6.141 -0.431 -3.562) 7.113 7.631 ( 6.141 -0.431 3.562) 7.113 7.675 ( -18.776 -3.366 -1.309) 19.120 7.675 ( 18.776 -3.366 1.309) 19.120 7.766 ( -12.886 -1.741 -5.438) 14.094 7.766 ( 12.886 -1.741 5.438) 14.094 7.993 ( 3.372 8.703 -3.351) 9.917 7.993 ( -3.372 8.703 3.351) 9.917 8.124 ( -8.509 3.995 -3.263) 9.950 8.124 ( 8.509 3.995 3.263) 9.950 8.599 ( 0.038 2.685 -7.383) 7.856 8.599 ( -0.038 2.685 7.383) 7.856 8.725 ( -1.924 0.848 -1.557) 2.616 8.725 ( 1.924 0.848 1.557) 2.616 8.935 ( -3.591 1.601 -1.467) 4.196 8.935 ( 3.591 1.601 1.467) 4.196 9.092 ( -0.400 5.975 -5.320) 8.011 9.092 ( 0.400 5.975 5.320) 8.011 9.154 ( -2.559 8.889 -4.144) 10.136 9.154 ( 2.559 8.889 4.144) 10.136 9.346 ( -2.635 5.747 -1.577) 6.517 9.346 ( 2.635 5.747 1.577) 6.517 9.505 ( -2.781 -0.145 -2.300) 3.612 9.505 ( 2.781 -0.145 2.300) 3.612 9.590 ( -2.281 -5.100 -2.232) 6.016 9.590 ( 2.281 -5.100 2.232) 6.016 9.788 ( -12.291 -4.320 -2.686) 13.301 9.788 ( 12.291 -4.320 2.686) 13.301 10.250 ( -6.082 1.588 -5.831) 8.574 10.250 ( 6.082 1.588 5.831) 8.574 10.458 ( -2.213 4.981 0.239) 5.456 10.458 ( 2.213 4.981 -0.239) 5.456 10.540 ( 3.659 -0.389 -7.527) 8.379 10.540 ( -3.659 -0.389 7.527) 8.379 10.645 ( -0.344 -0.544 -1.433) 1.571 10.645 ( 0.344 -0.544 1.433) 1.571 10.847 ( 2.709 1.022 -3.333) 4.414 10.847 ( -2.709 1.022 3.333) 4.414 11.159 ( -0.125 6.273 -3.180) 7.034 11.159 ( 0.125 6.273 3.180) 7.034 11.240 ( -1.275 5.437 -0.476) 5.604 11.240 ( 1.275 5.437 0.476) 5.604 11.367 ( 0.137 8.297 -4.094) 9.253 11.367 ( -0.137 8.297 4.094) 9.253 11.566 ( -2.470 4.092 -2.123) 5.230 11.566 ( 2.470 4.092 2.123) 5.230 11.783 ( 0.403 2.188 -6.422) 6.797 11.783 ( -0.403 2.188 6.422) 6.797 12.010 ( 2.431 -1.694 -3.717) 4.754 12.010 ( -2.431 -1.694 3.717) 4.754 12.638 ( -0.333 -0.231 -0.843) 0.936 12.638 ( 0.333 -0.231 0.843) 0.936 12.819 ( -0.144 0.464 -0.267) 0.555 12.819 ( 0.144 0.464 0.267) 0.555 12.933 ( 0.262 0.741 -0.283) 0.835 12.933 ( -0.262 0.741 0.283) 0.835 13.055 ( -0.089 -1.706 -2.242) 2.819 13.055 ( 0.089 -1.706 2.242) 2.819 13.118 ( -0.852 -1.669 -0.579) 1.961 13.118 ( 0.852 -1.669 0.579) 1.961 13.282 ( 1.006 1.398 -0.723) 1.867 13.282 ( -1.006 1.398 0.723) 1.867 13.369 ( -1.328 0.579 -0.975) 1.746 13.369 ( 1.328 0.579 0.975) 1.746 13.426 ( -2.203 0.060 -2.836) 3.592 13.426 ( 2.203 0.060 2.836) 3.592 13.632 ( 0.177 0.192 -5.627) 5.634 13.632 ( -0.177 0.192 5.627) 5.634 13.763 ( -0.777 -0.275 -1.295) 1.535 13.763 ( 0.777 -0.275 1.295) 1.535 14.012 ( -2.407 -2.058 -1.446) 3.482 14.012 ( 2.407 -2.058 1.446) 3.482 14.058 ( -0.738 0.703 -2.158) 2.387 14.058 ( 0.738 0.703 2.158) 2.387 14.174 ( -3.029 -3.014 -3.386) 5.452 14.174 ( 3.029 -3.014 3.386) 5.452 14.425 ( -0.397 0.389 -0.230) 0.602 14.425 ( 0.397 0.389 0.230) 0.602 14.862 ( 2.149 -2.359 -5.042) 5.967 14.862 ( -2.149 -2.359 5.042) 5.967 15.042 ( -0.919 -2.124 -1.072) 2.551 15.042 ( 0.919 -2.124 1.072) 2.551 15.318 ( 0.570 -0.020 -2.112) 2.188 15.318 ( -0.570 -0.020 2.112) 2.188 15.578 ( 0.809 -2.119 -5.413) 5.869 15.578 ( -0.809 -2.119 5.413) 5.869 15.779 ( -0.271 -0.825 -2.423) 2.574 15.779 ( 0.271 -0.825 2.423) 2.574 16.266 ( 2.217 1.632 -7.885) 8.352 16.266 ( -2.217 1.632 7.885) 8.352 =================== 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 3/29040 10.0 57515.891 48702.350 13834.298 0.000 10371.255 0.000 3/29040 20.0 14052.952 10479.213 4502.369 0.000 1245.169 0.000 3/29040 30.0 5143.929 3625.121 1941.256 0.000 328.439 0.000 3/29040 40.0 2333.087 1612.008 910.898 0.000 129.275 0.000 3/29040 50.0 1227.782 844.126 485.049 0.000 62.187 0.000 3/29040 60.0 730.563 501.847 291.830 0.000 34.058 0.000 3/29040 70.0 479.095 329.146 193.574 0.000 20.572 0.000 3/29040 80.0 338.621 232.799 138.317 0.000 13.437 0.000 3/29040 90.0 253.550 174.533 104.603 0.000 9.351 0.000 3/29040 100.0 198.569 136.931 82.648 0.000 6.853 0.000 3/29040 110.0 161.111 111.341 67.580 0.000 5.238 0.000 3/29040 120.0 134.461 93.147 56.783 0.000 4.146 0.000 3/29040 130.0 114.803 79.728 48.767 0.000 3.378 0.000 3/29040 140.0 99.856 69.522 42.634 0.000 2.818 0.000 3/29040 150.0 88.195 61.553 37.822 0.000 2.399 0.000 3/29040 160.0 78.893 55.190 33.963 0.000 2.078 0.000 3/29040 170.0 71.330 50.008 30.811 0.000 1.825 0.000 3/29040 180.0 65.078 45.718 28.193 0.000 1.623 0.000 3/29040 190.0 59.834 42.114 25.988 0.000 1.458 0.000 3/29040 200.0 55.379 39.046 24.108 0.000 1.323 0.000 3/29040 210.0 51.551 36.405 22.487 0.000 1.209 0.000 3/29040 220.0 48.229 34.109 21.076 0.000 1.113 0.000 3/29040 230.0 45.321 32.095 19.836 0.000 1.030 0.000 3/29040 240.0 42.753 30.314 18.739 0.000 0.959 0.000 3/29040 250.0 40.470 28.728 17.761 0.000 0.897 0.000 3/29040 260.0 38.427 27.306 16.884 0.000 0.842 0.000 3/29040 270.0 36.589 26.024 16.093 0.000 0.794 0.000 3/29040 280.0 34.925 24.862 15.375 0.000 0.751 0.000 3/29040 290.0 33.412 23.804 14.722 0.000 0.713 0.000 3/29040 300.0 32.030 22.837 14.124 0.000 0.678 0.000 3/29040 310.0 30.762 21.948 13.574 0.000 0.647 0.000 3/29040 320.0 29.596 21.129 13.068 0.000 0.618 0.000 3/29040 330.0 28.518 20.371 12.600 0.000 0.592 0.000 3/29040 340.0 27.519 19.668 12.165 0.000 0.568 0.000 3/29040 350.0 26.591 19.014 11.760 0.000 0.546 0.000 3/29040 360.0 25.726 18.404 11.383 0.000 0.526 0.000 3/29040 370.0 24.917 17.834 11.030 0.000 0.507 0.000 3/29040 380.0 24.160 17.299 10.699 0.000 0.490 0.000 3/29040 390.0 23.450 16.796 10.388 0.000 0.474 0.000 3/29040 400.0 22.781 16.323 10.096 0.000 0.459 0.000 3/29040 410.0 22.151 15.877 9.820 0.000 0.445 0.000 3/29040 420.0 21.557 15.456 9.559 0.000 0.431 0.000 3/29040 430.0 20.994 15.057 9.312 0.000 0.419 0.000 3/29040 440.0 20.461 14.679 9.078 0.000 0.407 0.000 3/29040 450.0 19.956 14.320 8.856 0.000 0.396 0.000 3/29040 460.0 19.476 13.979 8.645 0.000 0.386 0.000 3/29040 470.0 19.019 13.654 8.444 0.000 0.376 0.000 3/29040 480.0 18.584 13.344 8.252 0.000 0.366 0.000 3/29040 490.0 18.169 13.049 8.069 0.000 0.358 0.000 3/29040 500.0 17.772 12.766 7.895 0.000 0.349 0.000 3/29040 510.0 17.393 12.496 7.728 0.000 0.341 0.000 3/29040 520.0 17.031 12.238 7.568 0.000 0.333 0.000 3/29040 530.0 16.683 11.990 7.414 0.000 0.326 0.000 3/29040 540.0 16.350 11.753 7.267 0.000 0.319 0.000 3/29040 550.0 16.030 11.524 7.126 0.000 0.312 0.000 3/29040 560.0 15.723 11.305 6.991 0.000 0.306 0.000 3/29040 570.0 15.428 11.094 6.860 0.000 0.300 0.000 3/29040 580.0 15.144 10.891 6.735 0.000 0.294 0.000 3/29040 590.0 14.870 10.696 6.614 0.000 0.288 0.000 3/29040 600.0 14.607 10.508 6.497 0.000 0.283 0.000 3/29040 610.0 14.353 10.326 6.385 0.000 0.278 0.000 3/29040 620.0 14.107 10.150 6.276 0.000 0.273 0.000 3/29040 630.0 13.870 9.981 6.171 0.000 0.268 0.000 3/29040 640.0 13.642 9.817 6.070 0.000 0.263 0.000 3/29040 650.0 13.420 9.659 5.972 0.000 0.259 0.000 3/29040 660.0 13.206 9.506 5.877 0.000 0.254 0.000 3/29040 670.0 12.999 9.357 5.785 0.000 0.250 0.000 3/29040 680.0 12.798 9.213 5.697 0.000 0.246 0.000 3/29040 690.0 12.604 9.074 5.610 0.000 0.242 0.000 3/29040 700.0 12.415 8.939 5.527 0.000 0.238 0.000 3/29040 710.0 12.233 8.808 5.446 0.000 0.235 0.000 3/29040 720.0 12.055 8.681 5.367 0.000 0.231 0.000 3/29040 730.0 11.883 8.557 5.291 0.000 0.228 0.000 3/29040 740.0 11.716 8.437 5.217 0.000 0.224 0.000 3/29040 750.0 11.553 8.321 5.144 0.000 0.221 0.000 3/29040 760.0 11.395 8.207 5.074 0.000 0.218 0.000 3/29040 770.0 11.241 8.097 5.006 0.000 0.215 0.000 3/29040 780.0 11.092 7.990 4.940 0.000 0.212 0.000 3/29040 790.0 10.946 7.885 4.875 0.000 0.209 0.000 3/29040 800.0 10.804 7.784 4.812 0.000 0.206 0.000 3/29040 810.0 10.666 7.684 4.751 0.000 0.204 0.000 3/29040 820.0 10.532 7.588 4.691 0.000 0.201 0.000 3/29040 830.0 10.400 7.494 4.633 0.000 0.198 0.000 3/29040 840.0 10.273 7.402 4.576 0.000 0.196 0.000 3/29040 850.0 10.148 7.312 4.521 0.000 0.193 0.000 3/29040 860.0 10.026 7.225 4.467 0.000 0.191 0.000 3/29040 870.0 9.907 7.140 4.414 0.000 0.189 0.000 3/29040 880.0 9.792 7.056 4.362 0.000 0.186 0.000 3/29040 890.0 9.678 6.975 4.312 0.000 0.184 0.000 3/29040 900.0 9.568 6.896 4.263 0.000 0.182 0.000 3/29040 910.0 9.460 6.818 4.215 0.000 0.180 0.000 3/29040 920.0 9.354 6.742 4.168 0.000 0.178 0.000 3/29040 930.0 9.251 6.668 4.122 0.000 0.176 0.000 3/29040 940.0 9.150 6.595 4.077 0.000 0.174 0.000 3/29040 950.0 9.051 6.524 4.033 0.000 0.172 0.000 3/29040 960.0 8.954 6.455 3.990 0.000 0.170 0.000 3/29040 970.0 8.860 6.387 3.948 0.000 0.168 0.000 3/29040 980.0 8.767 6.320 3.907 0.000 0.166 0.000 3/29040 990.0 8.677 6.255 3.867 0.000 0.165 0.000 3/29040 1000.0 8.588 6.191 3.827 0.000 0.163 0.000 3/29040 Thermal conductivity related properties were written into "kappa-m11112.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:31:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|