----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:12:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.695045920038902 0.000000000000000 0.000000000000000 b 0.000000000000000 4.867846770000000 0.000000000000000 c -1.616252222408298 0.000000000000000 16.688872345284754 Atomic positions (fractional): *1 Zn 0.07773029275107 0.01060745025338 0.17959936144001 65.380 *2 Zn 0.43210139644282 0.29449855243329 0.15276351235133 65.380 *3 Zn 0.67031555213535 0.70317497778470 0.05669417792203 65.380 4 Zn 0.92226970724893 0.51060745025338 0.32040063855999 65.380 5 Zn 0.67031555213535 0.79682502221530 0.55669417792203 65.380 6 Zn 0.32968444786465 0.29682502221530 0.94330582207797 65.380 7 Zn 0.56789860355718 0.70550144756671 0.84723648764867 65.380 8 Zn 0.07773029275107 0.48939254974662 0.67959936144001 65.380 9 Zn 0.92226970724893 0.98939254974662 0.82040063855999 65.380 10 Zn 0.56789860355718 0.79449855243329 0.34723648764867 65.380 11 Zn 0.43210139644282 0.20550144756671 0.65276351235133 65.380 12 Zn 0.32968444786465 0.20317497778470 0.44330582207797 65.380 *13 P 0.68675417495351 0.21064802372602 0.94552324638495 30.974 *14 P 0.76222833150667 0.99547340452582 0.21808883259918 30.974 15 P 0.23777166849334 0.00452659547418 0.78191116740082 30.974 16 P 0.31324582504649 0.71064802372602 0.55447675361505 30.974 17 P 0.31324582504649 0.78935197627398 0.05447675361505 30.974 18 P 0.68675417495351 0.28935197627398 0.44552324638495 30.974 19 P 0.23777166849334 0.49547340452582 0.28191116740082 30.974 20 P 0.76222833150667 0.50452659547418 0.71808883259918 30.974 *21 H 0.92744563682345 0.95735687436460 0.40561886024132 1.008 *22 H 0.08506983874409 0.79038677504032 0.43315528736183 1.008 23 H 0.08506983874409 0.70961322495968 0.93315528736183 1.008 24 H 0.91493016125591 0.20961322495968 0.56684471263817 1.008 25 H 0.92744563682345 0.54264312563540 0.90561886024132 1.008 26 H 0.07255436317655 0.04264312563540 0.59438113975868 1.008 27 H 0.91493016125591 0.29038677504032 0.06684471263817 1.008 28 H 0.07255436317655 0.45735687436460 0.09438113975868 1.008 *29 O 0.02716504267044 0.27027874126456 0.08452445971222 15.999 *30 O 0.25832955893476 0.26672620328974 0.21718162269352 15.999 *31 O 0.80461386321212 0.64964703738432 0.64094857873121 15.999 32 O 0.74167044106524 0.76672620328974 0.28281837730648 15.999 *33 O 0.61338838605338 0.33771860257109 0.71032703747577 15.999 34 O 0.80461386321212 0.85035296261568 0.14094857873121 15.999 *35 O 0.81907426196369 0.25083127720346 0.39383915046854 15.999 *36 O 0.09391740571587 0.82434767689412 0.75656300509994 15.999 37 O 0.19538613678788 0.14964703738432 0.85905142126879 15.999 *38 O 0.35985930269274 0.09907634900625 0.04744790515564 15.999 39 O 0.18092573803632 0.74916872279654 0.60616084953146 15.999 *40 O 0.53778546496184 0.14314227443362 0.40442722411885 15.999 41 O 0.02716504267044 0.22972125873544 0.58452445971222 15.999 42 O 0.53778546496184 0.35685772556638 0.90442722411885 15.999 *43 O 0.72497279846507 0.32858824874004 0.03038833688661 15.999 44 O 0.61338838605338 0.16228139742891 0.21032703747577 15.999 45 O 0.35985930269274 0.40092365099375 0.54744790515564 15.999 46 O 0.19538613678788 0.35035296261568 0.35905142126879 15.999 47 O 0.18092573803632 0.75083127720346 0.10616084953146 15.999 48 O 0.64014069730726 0.90092365099375 0.95255209484436 15.999 49 O 0.09391740571587 0.67565232310588 0.25656300509994 15.999 50 O 0.81907426196369 0.24916872279654 0.89383915046854 15.999 51 O 0.72497279846507 0.17141175125996 0.53038833688661 15.999 52 O 0.74167044106524 0.73327379671026 0.78281837730648 15.999 53 O 0.25832955893476 0.23327379671026 0.71718162269352 15.999 54 O 0.90608259428413 0.32434767689412 0.74343699490006 15.999 55 O 0.90608259428413 0.17565232310588 0.24343699490006 15.999 56 O 0.97283495732956 0.72972125873544 0.91547554028778 15.999 57 O 0.38661161394662 0.66228139742891 0.28967296252423 15.999 58 O 0.46221453503816 0.64314227443362 0.09557277588115 15.999 59 O 0.38661161394662 0.83771860257109 0.78967296252423 15.999 60 O 0.97283495732956 0.77027874126456 0.41547554028778 15.999 61 O 0.27502720153493 0.82858824874004 0.46961166311339 15.999 62 O 0.46221453503816 0.85685772556638 0.59557277588115 15.999 63 O 0.27502720153493 0.67141175125996 0.96961166311339 15.999 64 O 0.64014069730726 0.59907634900625 0.45255209484436 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.695045920038902 0.000000000000000 0.000000000000000 b 0.000000000000000 4.867846770000000 0.000000000000000 c -1.616252222408298 0.000000000000000 16.688872345284754 Atomic positions (fractional): *1 Zn 0.07773029275107 0.01060745025338 0.17959936144001 65.380 > 1 *2 Zn 0.43210139644282 0.29449855243329 0.15276351235133 65.380 > 2 *3 Zn 0.67031555213535 0.70317497778470 0.05669417792203 65.380 > 3 4 Zn 0.92226970724893 0.51060745025338 0.32040063855999 65.380 > 4 5 Zn 0.67031555213535 0.79682502221530 0.55669417792203 65.380 > 5 6 Zn 0.32968444786465 0.29682502221530 0.94330582207797 65.380 > 6 7 Zn 0.56789860355718 0.70550144756671 0.84723648764867 65.380 > 7 8 Zn 0.07773029275107 0.48939254974662 0.67959936144001 65.380 > 8 9 Zn 0.92226970724893 0.98939254974662 0.82040063855999 65.380 > 9 10 Zn 0.56789860355718 0.79449855243329 0.34723648764867 65.380 > 10 11 Zn 0.43210139644282 0.20550144756671 0.65276351235133 65.380 > 11 12 Zn 0.32968444786465 0.20317497778470 0.44330582207797 65.380 > 12 *13 P 0.68675417495351 0.21064802372602 0.94552324638495 30.974 > 13 *14 P 0.76222833150667 0.99547340452582 0.21808883259918 30.974 > 14 15 P 0.23777166849334 0.00452659547418 0.78191116740082 30.974 > 15 16 P 0.31324582504649 0.71064802372602 0.55447675361505 30.974 > 16 17 P 0.31324582504649 0.78935197627398 0.05447675361505 30.974 > 17 18 P 0.68675417495351 0.28935197627398 0.44552324638495 30.974 > 18 19 P 0.23777166849334 0.49547340452582 0.28191116740082 30.974 > 19 20 P 0.76222833150667 0.50452659547418 0.71808883259918 30.974 > 20 *21 H 0.92744563682345 0.95735687436460 0.40561886024132 1.008 > 21 *22 H 0.08506983874409 0.79038677504032 0.43315528736183 1.008 > 22 23 H 0.08506983874409 0.70961322495968 0.93315528736183 1.008 > 23 24 H 0.91493016125591 0.20961322495968 0.56684471263817 1.008 > 24 25 H 0.92744563682345 0.54264312563540 0.90561886024132 1.008 > 25 26 H 0.07255436317655 0.04264312563540 0.59438113975868 1.008 > 26 27 H 0.91493016125591 0.29038677504032 0.06684471263817 1.008 > 27 28 H 0.07255436317655 0.45735687436460 0.09438113975868 1.008 > 28 *29 O 0.02716504267044 0.27027874126456 0.08452445971222 15.999 > 29 *30 O 0.25832955893476 0.26672620328974 0.21718162269352 15.999 > 30 *31 O 0.80461386321212 0.64964703738432 0.64094857873121 15.999 > 31 32 O 0.74167044106524 0.76672620328974 0.28281837730648 15.999 > 32 *33 O 0.61338838605338 0.33771860257109 0.71032703747577 15.999 > 33 34 O 0.80461386321212 0.85035296261568 0.14094857873121 15.999 > 34 *35 O 0.81907426196369 0.25083127720346 0.39383915046854 15.999 > 35 *36 O 0.09391740571587 0.82434767689412 0.75656300509994 15.999 > 36 37 O 0.19538613678788 0.14964703738432 0.85905142126879 15.999 > 37 *38 O 0.35985930269274 0.09907634900625 0.04744790515564 15.999 > 38 39 O 0.18092573803632 0.74916872279654 0.60616084953146 15.999 > 39 *40 O 0.53778546496184 0.14314227443362 0.40442722411885 15.999 > 40 41 O 0.02716504267044 0.22972125873544 0.58452445971222 15.999 > 41 42 O 0.53778546496184 0.35685772556638 0.90442722411885 15.999 > 42 *43 O 0.72497279846507 0.32858824874004 0.03038833688661 15.999 > 43 44 O 0.61338838605338 0.16228139742891 0.21032703747577 15.999 > 44 45 O 0.35985930269274 0.40092365099375 0.54744790515564 15.999 > 45 46 O 0.19538613678788 0.35035296261568 0.35905142126879 15.999 > 46 47 O 0.18092573803632 0.75083127720346 0.10616084953146 15.999 > 47 48 O 0.64014069730726 0.90092365099375 0.95255209484436 15.999 > 48 49 O 0.09391740571587 0.67565232310588 0.25656300509994 15.999 > 49 50 O 0.81907426196369 0.24916872279654 0.89383915046854 15.999 > 50 51 O 0.72497279846507 0.17141175125996 0.53038833688661 15.999 > 51 52 O 0.74167044106524 0.73327379671026 0.78281837730648 15.999 > 52 53 O 0.25832955893476 0.23327379671026 0.71718162269352 15.999 > 53 54 O 0.90608259428413 0.32434767689412 0.74343699490006 15.999 > 54 55 O 0.90608259428413 0.17565232310588 0.24343699490006 15.999 > 55 56 O 0.97283495732956 0.72972125873544 0.91547554028778 15.999 > 56 57 O 0.38661161394662 0.66228139742891 0.28967296252423 15.999 > 57 58 O 0.46221453503816 0.64314227443362 0.09557277588115 15.999 > 58 59 O 0.38661161394662 0.83771860257109 0.78967296252423 15.999 > 59 60 O 0.97283495732956 0.77027874126456 0.41547554028778 15.999 > 60 61 O 0.27502720153493 0.82858824874004 0.46961166311339 15.999 > 61 62 O 0.46221453503816 0.85685772556638 0.59557277588115 15.999 > 62 63 O 0.27502720153493 0.67141175125996 0.96961166311339 15.999 > 63 64 O 0.64014069730726 0.59907634900625 0.45255209484436 15.999 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.695045920038902 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735693540000000 0.000000000000000 c -1.616252222408298 0.000000000000000 16.688872345284754 Atomic positions (fractional): *1 Zn 0.07773029275107 0.00530372512669 0.17959936144001 65.380 > 1 2 Zn 0.07773029275107 0.50530372512669 0.17959936144001 65.380 > 1 *3 Zn 0.43210139644282 0.14724927621665 0.15276351235133 65.380 > 2 4 Zn 0.43210139644282 0.64724927621665 0.15276351235133 65.380 > 2 *5 Zn 0.67031555213535 0.35158748889235 0.05669417792203 65.380 > 3 6 Zn 0.67031555213535 0.85158748889235 0.05669417792203 65.380 > 3 7 Zn 0.92226970724893 0.25530372512669 0.32040063855999 65.380 > 4 8 Zn 0.92226970724893 0.75530372512669 0.32040063855999 65.380 > 4 9 Zn 0.67031555213535 0.39841251110765 0.55669417792203 65.380 > 5 10 Zn 0.67031555213535 0.89841251110765 0.55669417792203 65.380 > 5 11 Zn 0.32968444786465 0.14841251110765 0.94330582207797 65.380 > 6 12 Zn 0.32968444786465 0.64841251110765 0.94330582207797 65.380 > 6 13 Zn 0.56789860355718 0.35275072378335 0.84723648764867 65.380 > 7 14 Zn 0.56789860355718 0.85275072378335 0.84723648764867 65.380 > 7 15 Zn 0.07773029275107 0.24469627487331 0.67959936144001 65.380 > 8 16 Zn 0.07773029275107 0.74469627487331 0.67959936144001 65.380 > 8 17 Zn 0.92226970724893 0.49469627487331 0.82040063855999 65.380 > 9 18 Zn 0.92226970724893 0.99469627487331 0.82040063855999 65.380 > 9 19 Zn 0.56789860355718 0.39724927621665 0.34723648764867 65.380 > 10 20 Zn 0.56789860355718 0.89724927621665 0.34723648764867 65.380 > 10 21 Zn 0.43210139644282 0.10275072378335 0.65276351235133 65.380 > 11 22 Zn 0.43210139644282 0.60275072378335 0.65276351235133 65.380 > 11 23 Zn 0.32968444786465 0.10158748889235 0.44330582207797 65.380 > 12 24 Zn 0.32968444786465 0.60158748889235 0.44330582207797 65.380 > 12 *25 P 0.68675417495351 0.10532401186301 0.94552324638495 30.974 > 13 26 P 0.68675417495351 0.60532401186301 0.94552324638495 30.974 > 13 *27 P 0.76222833150667 0.49773670226291 0.21808883259918 30.974 > 14 28 P 0.76222833150667 0.99773670226291 0.21808883259918 30.974 > 14 29 P 0.23777166849334 0.00226329773709 0.78191116740082 30.974 > 15 30 P 0.23777166849334 0.50226329773709 0.78191116740082 30.974 > 15 31 P 0.31324582504649 0.35532401186301 0.55447675361505 30.974 > 16 32 P 0.31324582504649 0.85532401186301 0.55447675361505 30.974 > 16 33 P 0.31324582504649 0.39467598813699 0.05447675361505 30.974 > 17 34 P 0.31324582504649 0.89467598813699 0.05447675361505 30.974 > 17 35 P 0.68675417495351 0.14467598813699 0.44552324638495 30.974 > 18 36 P 0.68675417495351 0.64467598813699 0.44552324638495 30.974 > 18 37 P 0.23777166849334 0.24773670226291 0.28191116740082 30.974 > 19 38 P 0.23777166849334 0.74773670226291 0.28191116740082 30.974 > 19 39 P 0.76222833150667 0.25226329773709 0.71808883259918 30.974 > 20 40 P 0.76222833150667 0.75226329773709 0.71808883259918 30.974 > 20 *41 H 0.92744563682345 0.47867843718230 0.40561886024132 1.008 > 21 42 H 0.92744563682345 0.97867843718230 0.40561886024132 1.008 > 21 *43 H 0.08506983874409 0.39519338752016 0.43315528736183 1.008 > 22 44 H 0.08506983874409 0.89519338752016 0.43315528736183 1.008 > 22 45 H 0.08506983874409 0.35480661247984 0.93315528736183 1.008 > 23 46 H 0.08506983874409 0.85480661247984 0.93315528736183 1.008 > 23 47 H 0.91493016125591 0.10480661247984 0.56684471263817 1.008 > 24 48 H 0.91493016125591 0.60480661247984 0.56684471263817 1.008 > 24 49 H 0.92744563682345 0.27132156281770 0.90561886024132 1.008 > 25 50 H 0.92744563682345 0.77132156281770 0.90561886024132 1.008 > 25 51 H 0.07255436317655 0.02132156281770 0.59438113975868 1.008 > 26 52 H 0.07255436317655 0.52132156281770 0.59438113975868 1.008 > 26 53 H 0.91493016125591 0.14519338752016 0.06684471263817 1.008 > 27 54 H 0.91493016125591 0.64519338752016 0.06684471263817 1.008 > 27 55 H 0.07255436317655 0.22867843718230 0.09438113975868 1.008 > 28 56 H 0.07255436317655 0.72867843718230 0.09438113975868 1.008 > 28 *57 O 0.02716504267044 0.13513937063228 0.08452445971222 15.999 > 29 58 O 0.02716504267044 0.63513937063228 0.08452445971222 15.999 > 29 *59 O 0.25832955893476 0.13336310164487 0.21718162269352 15.999 > 30 60 O 0.25832955893476 0.63336310164487 0.21718162269352 15.999 > 30 *61 O 0.80461386321212 0.32482351869216 0.64094857873121 15.999 > 31 62 O 0.80461386321212 0.82482351869216 0.64094857873121 15.999 > 31 63 O 0.74167044106524 0.38336310164487 0.28281837730648 15.999 > 32 64 O 0.74167044106524 0.88336310164487 0.28281837730648 15.999 > 32 *65 O 0.61338838605338 0.16885930128554 0.71032703747577 15.999 > 33 66 O 0.61338838605338 0.66885930128554 0.71032703747577 15.999 > 33 67 O 0.80461386321212 0.42517648130784 0.14094857873121 15.999 > 34 68 O 0.80461386321212 0.92517648130784 0.14094857873121 15.999 > 34 *69 O 0.81907426196369 0.12541563860173 0.39383915046854 15.999 > 35 70 O 0.81907426196369 0.62541563860173 0.39383915046854 15.999 > 35 *71 O 0.09391740571587 0.41217383844706 0.75656300509994 15.999 > 36 72 O 0.09391740571587 0.91217383844706 0.75656300509994 15.999 > 36 73 O 0.19538613678788 0.07482351869216 0.85905142126879 15.999 > 37 74 O 0.19538613678788 0.57482351869216 0.85905142126879 15.999 > 37 *75 O 0.35985930269274 0.04953817450312 0.04744790515564 15.999 > 38 76 O 0.35985930269274 0.54953817450312 0.04744790515564 15.999 > 38 77 O 0.18092573803632 0.37458436139827 0.60616084953146 15.999 > 39 78 O 0.18092573803632 0.87458436139827 0.60616084953146 15.999 > 39 *79 O 0.53778546496184 0.07157113721681 0.40442722411885 15.999 > 40 80 O 0.53778546496184 0.57157113721681 0.40442722411885 15.999 > 40 81 O 0.02716504267044 0.11486062936772 0.58452445971222 15.999 > 41 82 O 0.02716504267044 0.61486062936772 0.58452445971222 15.999 > 41 83 O 0.53778546496184 0.17842886278319 0.90442722411885 15.999 > 42 84 O 0.53778546496184 0.67842886278319 0.90442722411885 15.999 > 42 *85 O 0.72497279846507 0.16429412437002 0.03038833688661 15.999 > 43 86 O 0.72497279846507 0.66429412437002 0.03038833688661 15.999 > 43 87 O 0.61338838605338 0.08114069871446 0.21032703747577 15.999 > 44 88 O 0.61338838605338 0.58114069871446 0.21032703747577 15.999 > 44 89 O 0.35985930269274 0.20046182549688 0.54744790515564 15.999 > 45 90 O 0.35985930269274 0.70046182549688 0.54744790515564 15.999 > 45 91 O 0.19538613678788 0.17517648130784 0.35905142126879 15.999 > 46 92 O 0.19538613678788 0.67517648130784 0.35905142126879 15.999 > 46 93 O 0.18092573803632 0.37541563860173 0.10616084953146 15.999 > 47 94 O 0.18092573803632 0.87541563860173 0.10616084953146 15.999 > 47 95 O 0.64014069730726 0.45046182549688 0.95255209484436 15.999 > 48 96 O 0.64014069730726 0.95046182549688 0.95255209484436 15.999 > 48 97 O 0.09391740571587 0.33782616155294 0.25656300509994 15.999 > 49 98 O 0.09391740571587 0.83782616155294 0.25656300509994 15.999 > 49 99 O 0.81907426196369 0.12458436139827 0.89383915046854 15.999 > 50 100 O 0.81907426196369 0.62458436139827 0.89383915046854 15.999 > 50 101 O 0.72497279846507 0.08570587562998 0.53038833688661 15.999 > 51 102 O 0.72497279846507 0.58570587562998 0.53038833688661 15.999 > 51 103 O 0.74167044106524 0.36663689835513 0.78281837730648 15.999 > 52 104 O 0.74167044106524 0.86663689835513 0.78281837730648 15.999 > 52 105 O 0.25832955893476 0.11663689835513 0.71718162269352 15.999 > 53 106 O 0.25832955893476 0.61663689835513 0.71718162269352 15.999 > 53 107 O 0.90608259428413 0.16217383844706 0.74343699490006 15.999 > 54 108 O 0.90608259428413 0.66217383844706 0.74343699490006 15.999 > 54 109 O 0.90608259428413 0.08782616155294 0.24343699490006 15.999 > 55 110 O 0.90608259428413 0.58782616155294 0.24343699490006 15.999 > 55 111 O 0.97283495732956 0.36486062936772 0.91547554028778 15.999 > 56 112 O 0.97283495732956 0.86486062936772 0.91547554028778 15.999 > 56 113 O 0.38661161394662 0.33114069871446 0.28967296252423 15.999 > 57 114 O 0.38661161394662 0.83114069871446 0.28967296252423 15.999 > 57 115 O 0.46221453503816 0.32157113721681 0.09557277588115 15.999 > 58 116 O 0.46221453503816 0.82157113721681 0.09557277588115 15.999 > 58 117 O 0.38661161394662 0.41885930128554 0.78967296252423 15.999 > 59 118 O 0.38661161394662 0.91885930128554 0.78967296252423 15.999 > 59 119 O 0.97283495732956 0.38513937063228 0.41547554028778 15.999 > 60 120 O 0.97283495732956 0.88513937063228 0.41547554028778 15.999 > 60 121 O 0.27502720153493 0.41429412437002 0.46961166311339 15.999 > 61 122 O 0.27502720153493 0.91429412437002 0.46961166311339 15.999 > 61 123 O 0.46221453503816 0.42842886278319 0.59557277588115 15.999 > 62 124 O 0.46221453503816 0.92842886278319 0.59557277588115 15.999 > 62 125 O 0.27502720153493 0.33570587562998 0.96961166311339 15.999 > 63 126 O 0.27502720153493 0.83570587562998 0.96961166311339 15.999 > 63 127 O 0.64014069730726 0.29953817450312 0.45255209484436 15.999 > 64 128 O 0.64014069730726 0.79953817450312 0.45255209484436 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9883327 0.0000000 -0.0028641 0.0000000 2.9406540 0.0000000 -0.0028632 0.0000000 2.9498976 -------------------------- Born effective charges -------------------------- 1 Zn 2.5374254 -0.2336365 -0.1924584 0.0136698 2.3887888 -0.1753968 -0.1265450 -0.0648337 2.1563207 2 Zn 2.1759665 -0.1784159 0.0556680 -0.2055810 2.1233925 -0.0137639 -0.0882215 -0.1046135 2.2771418 3 Zn 1.9430895 0.0398160 -0.0134744 0.0715954 2.2078485 -0.0125286 0.0922897 0.2310049 2.2866739 4 Zn 2.5374254 0.2336365 -0.1924584 -0.0136698 2.3887888 0.1753968 -0.1265450 0.0648337 2.1563207 5 Zn 1.9430895 -0.0398160 -0.0134744 -0.0715954 2.2078485 0.0125286 0.0922897 -0.2310049 2.2866739 6 Zn 1.9430895 0.0398160 -0.0134744 0.0715954 2.2078485 -0.0125286 0.0922897 0.2310049 2.2866739 7 Zn 2.1759665 -0.1784159 0.0556680 -0.2055810 2.1233925 -0.0137639 -0.0882215 -0.1046135 2.2771418 8 Zn 2.5374254 0.2336365 -0.1924584 -0.0136698 2.3887888 0.1753968 -0.1265450 0.0648337 2.1563207 9 Zn 2.5374254 -0.2336365 -0.1924584 0.0136698 2.3887888 -0.1753968 -0.1265450 -0.0648337 2.1563207 10 Zn 2.1759665 0.1784159 0.0556680 0.2055810 2.1233925 0.0137639 -0.0882215 0.1046135 2.2771418 11 Zn 2.1759665 0.1784159 0.0556680 0.2055810 2.1233925 0.0137639 -0.0882215 0.1046135 2.2771418 12 Zn 1.9430895 -0.0398160 -0.0134744 -0.0715954 2.2078485 0.0125286 0.0922897 -0.2310049 2.2866739 13 P 3.2502602 0.0824721 -0.0668785 -0.0479050 3.4861139 0.1846845 -0.2603296 -0.0580901 3.1940105 14 P 3.5032744 0.1142693 0.0067561 0.0610439 3.1733073 -0.1019143 -0.0270538 -0.2834762 3.5447248 15 P 3.5032744 0.1142693 0.0067561 0.0610439 3.1733073 -0.1019143 -0.0270538 -0.2834762 3.5447248 16 P 3.2502602 -0.0824721 -0.0668785 0.0479050 3.4861139 -0.1846845 -0.2603296 0.0580901 3.1940105 17 P 3.2502602 0.0824721 -0.0668785 -0.0479050 3.4861139 0.1846845 -0.2603296 -0.0580901 3.1940105 18 P 3.2502602 -0.0824721 -0.0668785 0.0479050 3.4861139 -0.1846845 -0.2603296 0.0580901 3.1940105 19 P 3.5032744 -0.1142693 0.0067561 -0.0610439 3.1733073 0.1019143 -0.0270538 0.2834762 3.5447248 20 P 3.5032744 -0.1142693 0.0067561 -0.0610439 3.1733073 0.1019143 -0.0270538 0.2834762 3.5447248 21 H 0.6606445 -0.5695505 0.0633896 -0.4674040 0.9192499 -0.1137127 -0.0206418 0.0087675 0.3620625 22 H 1.1635110 -0.0128619 0.3225525 0.0440368 0.2411607 0.0505973 0.5042274 0.0360677 0.5752813 23 H 1.1635110 0.0128619 0.3225525 -0.0440368 0.2411607 -0.0505973 0.5042274 -0.0360677 0.5752813 24 H 1.1635110 -0.0128619 0.3225525 0.0440368 0.2411607 0.0505973 0.5042274 0.0360677 0.5752813 25 H 0.6606445 0.5695505 0.0633896 0.4674040 0.9192499 0.1137127 -0.0206418 -0.0087675 0.3620625 26 H 0.6606445 -0.5695505 0.0633896 -0.4674040 0.9192499 -0.1137127 -0.0206418 0.0087675 0.3620625 27 H 1.1635110 0.0128619 0.3225525 -0.0440368 0.2411607 -0.0505973 0.5042274 -0.0360677 0.5752813 28 H 0.6606445 0.5695505 0.0633896 0.4674040 0.9192499 0.1137127 -0.0206418 -0.0087675 0.3620625 29 O -1.3994056 -0.2808345 -0.1894657 -0.1866785 -1.0929724 0.1238262 -0.2722463 0.1960792 -1.0626080 30 O -1.5845884 -0.0308519 0.2875524 -0.0337529 -1.7561692 -0.6684228 0.2799860 -0.7744440 -1.8759945 31 O -1.4409223 0.0972150 -0.1315839 0.0355929 -1.2865394 0.5469171 0.0075498 0.6128597 -2.2559799 32 O -1.5845884 0.0308519 0.2875524 0.0337529 -1.7561692 0.6684228 0.2799860 0.7744440 -1.8759945 33 O -2.2553925 -0.7326659 -0.3338938 -0.6726318 -1.3920122 -0.2231531 -0.4006880 -0.3166766 -1.2580343 34 O -1.4409223 -0.0972150 -0.1315839 -0.0355929 -1.2865394 -0.5469171 0.0075498 -0.6128597 -2.2559799 35 O -1.9192197 0.1310947 0.6474667 0.1217787 -1.4310299 0.1016058 0.7393900 0.0505000 -1.5494951 36 O -2.1094085 -0.4989034 -0.0811318 -0.4427995 -1.6767373 -0.4207953 -0.0840744 -0.4634611 -1.3719288 37 O -1.4409223 -0.0972150 -0.1315839 -0.0355929 -1.2865394 -0.5469171 0.0075498 -0.6128597 -2.2559799 38 O -1.0605249 -0.3471504 0.0147116 -0.3769167 -2.5260414 0.0811315 0.0204720 0.1441221 -1.6658855 39 O -1.9192197 0.1310947 0.6474667 0.1217787 -1.4310299 0.1016058 0.7393900 0.0505000 -1.5494951 40 O -2.0963164 -0.2321413 -0.1987333 -0.3112878 -1.7178016 -0.4754116 -0.1297953 -0.3735012 -1.3480882 41 O -1.3994056 0.2808345 -0.1894657 0.1866785 -1.0929724 -0.1238262 -0.2722463 -0.1960792 -1.0626080 42 O -2.0963164 0.2321413 -0.1987333 0.3112878 -1.7178016 0.4754116 -0.1297953 0.3735012 -1.3480882 43 O -1.3683930 0.1093268 -0.1904773 0.0768910 -1.6605580 -0.5836656 -0.2343192 -0.5142823 -2.0082012 44 O -2.2553925 0.7326659 -0.3338938 0.6726318 -1.3920122 0.2231531 -0.4006880 0.3166766 -1.2580343 45 O -1.0605249 0.3471504 0.0147116 0.3769167 -2.5260414 -0.0811315 0.0204720 -0.1441221 -1.6658855 46 O -1.4409223 0.0972150 -0.1315839 0.0355929 -1.2865394 0.5469171 0.0075498 0.6128597 -2.2559799 47 O -1.9192197 -0.1310947 0.6474667 -0.1217787 -1.4310299 -0.1016058 0.7393900 -0.0505000 -1.5494951 48 O -1.0605249 -0.3471504 0.0147116 -0.3769167 -2.5260414 0.0811315 0.0204720 0.1441221 -1.6658855 49 O -2.1094085 0.4989034 -0.0811318 0.4427995 -1.6767373 0.4207953 -0.0840744 0.4634611 -1.3719288 50 O -1.9192197 -0.1310947 0.6474667 -0.1217787 -1.4310299 -0.1016058 0.7393900 -0.0505000 -1.5494951 51 O -1.3683930 -0.1093268 -0.1904773 -0.0768910 -1.6605580 0.5836656 -0.2343192 0.5142823 -2.0082012 52 O -1.5845884 -0.0308519 0.2875524 -0.0337529 -1.7561692 -0.6684228 0.2799860 -0.7744440 -1.8759945 53 O -1.5845884 0.0308519 0.2875524 0.0337529 -1.7561692 0.6684228 0.2799860 0.7744440 -1.8759945 54 O -2.1094085 0.4989034 -0.0811318 0.4427995 -1.6767373 0.4207953 -0.0840744 0.4634611 -1.3719288 55 O -2.1094085 -0.4989034 -0.0811318 -0.4427995 -1.6767373 -0.4207953 -0.0840744 -0.4634611 -1.3719288 56 O -1.3994056 -0.2808345 -0.1894657 -0.1866785 -1.0929724 0.1238262 -0.2722463 0.1960792 -1.0626080 57 O -2.2553925 -0.7326659 -0.3338938 -0.6726318 -1.3920122 -0.2231531 -0.4006880 -0.3166766 -1.2580343 58 O -2.0963164 0.2321413 -0.1987333 0.3112878 -1.7178016 0.4754116 -0.1297953 0.3735012 -1.3480882 59 O -2.2553925 0.7326659 -0.3338938 0.6726318 -1.3920122 0.2231531 -0.4006880 0.3166766 -1.2580343 60 O -1.3994056 0.2808345 -0.1894657 0.1866785 -1.0929724 -0.1238262 -0.2722463 -0.1960792 -1.0626080 61 O -1.3683930 -0.1093268 -0.1904773 -0.0768910 -1.6605580 0.5836656 -0.2343192 0.5142823 -2.0082012 62 O -2.0963164 -0.2321413 -0.1987333 -0.3112878 -1.7178016 -0.4754116 -0.1297953 -0.3735012 -1.3480882 63 O -1.3683930 0.1093268 -0.1904773 0.0768910 -1.6605580 -0.5836656 -0.2343192 -0.5142823 -2.0082012 64 O -1.0605249 0.3471504 0.0147116 0.3769167 -2.5260414 -0.0811315 0.0204720 -0.1441221 -1.6658855 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 221 eigenvectors found. (2) Block: 548 / 548 (2) 275 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 519 eigenvectors found. (1) Complementary block size: 124 (1) Compute compressed projector. (1) Use standard solver. (1) 92 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 221 eigenvectors found. (2) Block: 548 / 548 (2) 275 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 519 eigenvectors found. (1) Complementary block size: 124 (1) Compute compressed projector. (1) Use standard solver. (1) 92 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9360, 9217), data: False |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 92), data: (2048, 124) @ (124, 92) |-- (548, 519), data: False |-- (548, 23), data: (548, 52) @ (52, 23) |-- (298, 275), data: True |-- (250, 221), data: True |-- (500, 469), data: False |-- (500, 18), data: (500, 49) @ (49, 18) |-- (250, 223), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 27), data: (500, 59) @ (59, 27) |-- (250, 223), data: True |-- (250, 218), data: True |-- (500, 468), data: False |-- (500, 18), data: (500, 50) @ (50, 18) |-- (250, 232), data: True |-- (250, 218), data: True |-- (2048, 2016), data: False |-- (2048, 92), data: (2048, 124) @ (124, 92) |-- (548, 519), data: False |-- (548, 23), data: (548, 52) @ (52, 23) |-- (298, 275), data: True |-- (250, 221), data: True |-- (500, 469), data: False |-- (500, 18), data: (500, 49) @ (49, 18) |-- (250, 223), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 27), data: (500, 59) @ (59, 27) |-- (250, 223), data: True |-- (250, 218), data: True |-- (500, 468), data: False |-- (500, 18), data: (500, 50) @ (50, 18) |-- (250, 232), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1920 - Time: 3.886 Solver_block: 200 / 1920 - Time: 8.951 Solver_block: 300 / 1920 - Time: 4.658 Solver_block: 400 / 1920 - Time: 6.920 Solver_block: 500 / 1920 - Time: 4.352 Solver_block: 600 / 1920 - Time: 6.702 Solver_block: 700 / 1920 - Time: 5.339 Solver_block: 800 / 1920 - Time: 3.521 Solver_block: 900 / 1920 - Time: 6.747 Solver_block: 1000 / 1920 - Time: 5.081 Solver_block: 1100 / 1920 - Time: 5.933 Solver_block: 1200 / 1920 - Time: 7.213 Solver_block: 1300 / 1920 - Time: 4.171 Solver_block: 1400 / 1920 - Time: 8.652 Solver_block: 1500 / 1920 - Time: 4.302 Solver_block: 1600 / 1920 - Time: 4.248 Solver_block: 1700 / 1920 - Time: 4.206 Solver_block: 1800 / 1920 - Time: 4.475 Solver_block: 1900 / 1920 - Time: 4.657 Solver_block: 1920 / 1920 - Time: 1.132 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 108.412 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 221 eigenvectors found. (2) Block: 548 / 548 (2) 275 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 519 eigenvectors found. (1) Complementary block size: 124 (1) Compute compressed projector. (1) Use standard solver. (1) 92 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 221 eigenvectors found. (2) Block: 548 / 548 (2) 275 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 519 eigenvectors found. (1) Complementary block size: 124 (1) Compute compressed projector. (1) Use standard solver. (1) 92 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9360, 9217), data: False |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 92), data: (2048, 124) @ (124, 92) |-- (548, 519), data: False |-- (548, 23), data: (548, 52) @ (52, 23) |-- (298, 275), data: True |-- (250, 221), data: True |-- (500, 469), data: False |-- (500, 18), data: (500, 49) @ (49, 18) |-- (250, 223), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 27), data: (500, 59) @ (59, 27) |-- (250, 223), data: True |-- (250, 218), data: True |-- (500, 468), data: False |-- (500, 18), data: (500, 50) @ (50, 18) |-- (250, 232), data: True |-- (250, 218), data: True |-- (2048, 2016), data: False |-- (2048, 92), data: (2048, 124) @ (124, 92) |-- (548, 519), data: False |-- (548, 23), data: (548, 52) @ (52, 23) |-- (298, 275), data: True |-- (250, 221), data: True |-- (500, 469), data: False |-- (500, 18), data: (500, 49) @ (49, 18) |-- (250, 223), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 27), data: (500, 59) @ (59, 27) |-- (250, 223), data: True |-- (250, 218), data: True |-- (500, 468), data: False |-- (500, 18), data: (500, 50) @ (50, 18) |-- (250, 232), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:16:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:16:31]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.695045920038902 0.000000000000000 0.000000000000000 b 0.000000000000000 4.867846770000000 0.000000000000000 c -1.616252222408298 0.000000000000000 16.688872345284754 Atomic positions (fractional): 1 Zn 0.07773029275107 0.01060745025338 0.17959936144001 65.380 2 Zn 0.43210139644282 0.29449855243329 0.15276351235133 65.380 3 Zn 0.67031555213535 0.70317497778470 0.05669417792203 65.380 4 Zn 0.92226970724893 0.51060745025338 0.32040063855999 65.380 5 Zn 0.67031555213535 0.79682502221530 0.55669417792203 65.380 6 Zn 0.32968444786465 0.29682502221530 0.94330582207797 65.380 7 Zn 0.56789860355718 0.70550144756671 0.84723648764867 65.380 8 Zn 0.07773029275107 0.48939254974662 0.67959936144001 65.380 9 Zn 0.92226970724893 0.98939254974662 0.82040063855999 65.380 10 Zn 0.56789860355718 0.79449855243329 0.34723648764867 65.380 11 Zn 0.43210139644282 0.20550144756671 0.65276351235133 65.380 12 Zn 0.32968444786465 0.20317497778470 0.44330582207797 65.380 13 P 0.68675417495351 0.21064802372602 0.94552324638495 30.974 14 P 0.76222833150667 0.99547340452582 0.21808883259918 30.974 15 P 0.23777166849334 0.00452659547418 0.78191116740082 30.974 16 P 0.31324582504649 0.71064802372602 0.55447675361505 30.974 17 P 0.31324582504649 0.78935197627398 0.05447675361505 30.974 18 P 0.68675417495351 0.28935197627398 0.44552324638495 30.974 19 P 0.23777166849334 0.49547340452582 0.28191116740082 30.974 20 P 0.76222833150667 0.50452659547418 0.71808883259918 30.974 21 H 0.92744563682345 0.95735687436460 0.40561886024132 1.008 22 H 0.08506983874409 0.79038677504032 0.43315528736183 1.008 23 H 0.08506983874409 0.70961322495968 0.93315528736183 1.008 24 H 0.91493016125591 0.20961322495968 0.56684471263817 1.008 25 H 0.92744563682345 0.54264312563540 0.90561886024132 1.008 26 H 0.07255436317655 0.04264312563540 0.59438113975868 1.008 27 H 0.91493016125591 0.29038677504032 0.06684471263817 1.008 28 H 0.07255436317655 0.45735687436460 0.09438113975868 1.008 29 O 0.02716504267044 0.27027874126456 0.08452445971222 15.999 30 O 0.25832955893476 0.26672620328974 0.21718162269352 15.999 31 O 0.80461386321212 0.64964703738432 0.64094857873121 15.999 32 O 0.74167044106524 0.76672620328974 0.28281837730648 15.999 33 O 0.61338838605338 0.33771860257109 0.71032703747577 15.999 34 O 0.80461386321212 0.85035296261568 0.14094857873121 15.999 35 O 0.81907426196369 0.25083127720346 0.39383915046854 15.999 36 O 0.09391740571587 0.82434767689412 0.75656300509994 15.999 37 O 0.19538613678788 0.14964703738432 0.85905142126879 15.999 38 O 0.35985930269274 0.09907634900625 0.04744790515564 15.999 39 O 0.18092573803632 0.74916872279654 0.60616084953146 15.999 40 O 0.53778546496184 0.14314227443362 0.40442722411885 15.999 41 O 0.02716504267044 0.22972125873544 0.58452445971222 15.999 42 O 0.53778546496184 0.35685772556638 0.90442722411885 15.999 43 O 0.72497279846507 0.32858824874004 0.03038833688661 15.999 44 O 0.61338838605338 0.16228139742891 0.21032703747577 15.999 45 O 0.35985930269274 0.40092365099375 0.54744790515564 15.999 46 O 0.19538613678788 0.35035296261568 0.35905142126879 15.999 47 O 0.18092573803632 0.75083127720346 0.10616084953146 15.999 48 O 0.64014069730726 0.90092365099375 0.95255209484436 15.999 49 O 0.09391740571587 0.67565232310588 0.25656300509994 15.999 50 O 0.81907426196369 0.24916872279654 0.89383915046854 15.999 51 O 0.72497279846507 0.17141175125996 0.53038833688661 15.999 52 O 0.74167044106524 0.73327379671026 0.78281837730648 15.999 53 O 0.25832955893476 0.23327379671026 0.71718162269352 15.999 54 O 0.90608259428413 0.32434767689412 0.74343699490006 15.999 55 O 0.90608259428413 0.17565232310588 0.24343699490006 15.999 56 O 0.97283495732956 0.72972125873544 0.91547554028778 15.999 57 O 0.38661161394662 0.66228139742891 0.28967296252423 15.999 58 O 0.46221453503816 0.64314227443362 0.09557277588115 15.999 59 O 0.38661161394662 0.83771860257109 0.78967296252423 15.999 60 O 0.97283495732956 0.77027874126456 0.41547554028778 15.999 61 O 0.27502720153493 0.82858824874004 0.46961166311339 15.999 62 O 0.46221453503816 0.85685772556638 0.59557277588115 15.999 63 O 0.27502720153493 0.67141175125996 0.96961166311339 15.999 64 O 0.64014069730726 0.59907634900625 0.45255209484436 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.695045920038902 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735693540000000 0.000000000000000 c -1.616252222408298 0.000000000000000 16.688872345284754 Atomic positions (fractional): 1 Zn 0.07773029275107 0.00530372512669 0.17959936144001 65.380 > 1 2 Zn 0.07773029275107 0.50530372512669 0.17959936144001 65.380 > 1 3 Zn 0.43210139644282 0.14724927621665 0.15276351235133 65.380 > 3 4 Zn 0.43210139644282 0.64724927621665 0.15276351235133 65.380 > 3 5 Zn 0.67031555213535 0.35158748889235 0.05669417792203 65.380 > 5 6 Zn 0.67031555213535 0.85158748889235 0.05669417792203 65.380 > 5 7 Zn 0.92226970724893 0.25530372512669 0.32040063855999 65.380 > 7 8 Zn 0.92226970724893 0.75530372512669 0.32040063855999 65.380 > 7 9 Zn 0.67031555213535 0.39841251110765 0.55669417792203 65.380 > 9 10 Zn 0.67031555213535 0.89841251110765 0.55669417792203 65.380 > 9 11 Zn 0.32968444786465 0.14841251110765 0.94330582207797 65.380 > 11 12 Zn 0.32968444786465 0.64841251110765 0.94330582207797 65.380 > 11 13 Zn 0.56789860355718 0.35275072378335 0.84723648764867 65.380 > 13 14 Zn 0.56789860355718 0.85275072378335 0.84723648764867 65.380 > 13 15 Zn 0.07773029275107 0.24469627487331 0.67959936144001 65.380 > 15 16 Zn 0.07773029275107 0.74469627487331 0.67959936144001 65.380 > 15 17 Zn 0.92226970724893 0.49469627487331 0.82040063855999 65.380 > 17 18 Zn 0.92226970724893 0.99469627487331 0.82040063855999 65.380 > 17 19 Zn 0.56789860355718 0.39724927621665 0.34723648764867 65.380 > 19 20 Zn 0.56789860355718 0.89724927621665 0.34723648764867 65.380 > 19 21 Zn 0.43210139644282 0.10275072378335 0.65276351235133 65.380 > 21 22 Zn 0.43210139644282 0.60275072378335 0.65276351235133 65.380 > 21 23 Zn 0.32968444786465 0.10158748889235 0.44330582207797 65.380 > 23 24 Zn 0.32968444786465 0.60158748889235 0.44330582207797 65.380 > 23 25 P 0.68675417495351 0.10532401186301 0.94552324638495 30.974 > 25 26 P 0.68675417495351 0.60532401186301 0.94552324638495 30.974 > 25 27 P 0.76222833150667 0.49773670226291 0.21808883259918 30.974 > 27 28 P 0.76222833150667 0.99773670226291 0.21808883259918 30.974 > 27 29 P 0.23777166849334 0.00226329773709 0.78191116740082 30.974 > 29 30 P 0.23777166849334 0.50226329773709 0.78191116740082 30.974 > 29 31 P 0.31324582504649 0.35532401186301 0.55447675361505 30.974 > 31 32 P 0.31324582504649 0.85532401186301 0.55447675361505 30.974 > 31 33 P 0.31324582504649 0.39467598813699 0.05447675361505 30.974 > 33 34 P 0.31324582504649 0.89467598813699 0.05447675361505 30.974 > 33 35 P 0.68675417495351 0.14467598813699 0.44552324638495 30.974 > 35 36 P 0.68675417495351 0.64467598813699 0.44552324638495 30.974 > 35 37 P 0.23777166849334 0.24773670226291 0.28191116740082 30.974 > 37 38 P 0.23777166849334 0.74773670226291 0.28191116740082 30.974 > 37 39 P 0.76222833150667 0.25226329773709 0.71808883259918 30.974 > 39 40 P 0.76222833150667 0.75226329773709 0.71808883259918 30.974 > 39 41 H 0.92744563682345 0.47867843718230 0.40561886024132 1.008 > 41 42 H 0.92744563682345 0.97867843718230 0.40561886024132 1.008 > 41 43 H 0.08506983874409 0.39519338752016 0.43315528736183 1.008 > 43 44 H 0.08506983874409 0.89519338752016 0.43315528736183 1.008 > 43 45 H 0.08506983874409 0.35480661247984 0.93315528736183 1.008 > 45 46 H 0.08506983874409 0.85480661247984 0.93315528736183 1.008 > 45 47 H 0.91493016125591 0.10480661247984 0.56684471263817 1.008 > 47 48 H 0.91493016125591 0.60480661247984 0.56684471263817 1.008 > 47 49 H 0.92744563682345 0.27132156281770 0.90561886024132 1.008 > 49 50 H 0.92744563682345 0.77132156281770 0.90561886024132 1.008 > 49 51 H 0.07255436317655 0.02132156281770 0.59438113975868 1.008 > 51 52 H 0.07255436317655 0.52132156281770 0.59438113975868 1.008 > 51 53 H 0.91493016125591 0.14519338752016 0.06684471263817 1.008 > 53 54 H 0.91493016125591 0.64519338752016 0.06684471263817 1.008 > 53 55 H 0.07255436317655 0.22867843718230 0.09438113975868 1.008 > 55 56 H 0.07255436317655 0.72867843718230 0.09438113975868 1.008 > 55 57 O 0.02716504267044 0.13513937063228 0.08452445971222 15.999 > 57 58 O 0.02716504267044 0.63513937063228 0.08452445971222 15.999 > 57 59 O 0.25832955893476 0.13336310164487 0.21718162269352 15.999 > 59 60 O 0.25832955893476 0.63336310164487 0.21718162269352 15.999 > 59 61 O 0.80461386321212 0.32482351869216 0.64094857873121 15.999 > 61 62 O 0.80461386321212 0.82482351869216 0.64094857873121 15.999 > 61 63 O 0.74167044106524 0.38336310164487 0.28281837730648 15.999 > 63 64 O 0.74167044106524 0.88336310164487 0.28281837730648 15.999 > 63 65 O 0.61338838605338 0.16885930128554 0.71032703747577 15.999 > 65 66 O 0.61338838605338 0.66885930128554 0.71032703747577 15.999 > 65 67 O 0.80461386321212 0.42517648130784 0.14094857873121 15.999 > 67 68 O 0.80461386321212 0.92517648130784 0.14094857873121 15.999 > 67 69 O 0.81907426196369 0.12541563860173 0.39383915046854 15.999 > 69 70 O 0.81907426196369 0.62541563860173 0.39383915046854 15.999 > 69 71 O 0.09391740571587 0.41217383844706 0.75656300509994 15.999 > 71 72 O 0.09391740571587 0.91217383844706 0.75656300509994 15.999 > 71 73 O 0.19538613678788 0.07482351869216 0.85905142126879 15.999 > 73 74 O 0.19538613678788 0.57482351869216 0.85905142126879 15.999 > 73 75 O 0.35985930269274 0.04953817450312 0.04744790515564 15.999 > 75 76 O 0.35985930269274 0.54953817450312 0.04744790515564 15.999 > 75 77 O 0.18092573803632 0.37458436139827 0.60616084953146 15.999 > 77 78 O 0.18092573803632 0.87458436139827 0.60616084953146 15.999 > 77 79 O 0.53778546496184 0.07157113721681 0.40442722411885 15.999 > 79 80 O 0.53778546496184 0.57157113721681 0.40442722411885 15.999 > 79 81 O 0.02716504267044 0.11486062936772 0.58452445971222 15.999 > 81 82 O 0.02716504267044 0.61486062936772 0.58452445971222 15.999 > 81 83 O 0.53778546496184 0.17842886278319 0.90442722411885 15.999 > 83 84 O 0.53778546496184 0.67842886278319 0.90442722411885 15.999 > 83 85 O 0.72497279846507 0.16429412437002 0.03038833688661 15.999 > 85 86 O 0.72497279846507 0.66429412437002 0.03038833688661 15.999 > 85 87 O 0.61338838605338 0.08114069871446 0.21032703747577 15.999 > 87 88 O 0.61338838605338 0.58114069871446 0.21032703747577 15.999 > 87 89 O 0.35985930269274 0.20046182549688 0.54744790515564 15.999 > 89 90 O 0.35985930269274 0.70046182549688 0.54744790515564 15.999 > 89 91 O 0.19538613678788 0.17517648130784 0.35905142126879 15.999 > 91 92 O 0.19538613678788 0.67517648130784 0.35905142126879 15.999 > 91 93 O 0.18092573803632 0.37541563860173 0.10616084953146 15.999 > 93 94 O 0.18092573803632 0.87541563860173 0.10616084953146 15.999 > 93 95 O 0.64014069730726 0.45046182549688 0.95255209484436 15.999 > 95 96 O 0.64014069730726 0.95046182549688 0.95255209484436 15.999 > 95 97 O 0.09391740571587 0.33782616155294 0.25656300509994 15.999 > 97 98 O 0.09391740571587 0.83782616155294 0.25656300509994 15.999 > 97 99 O 0.81907426196369 0.12458436139827 0.89383915046854 15.999 > 99 100 O 0.81907426196369 0.62458436139827 0.89383915046854 15.999 > 99 101 O 0.72497279846507 0.08570587562998 0.53038833688661 15.999 > 101 102 O 0.72497279846507 0.58570587562998 0.53038833688661 15.999 > 101 103 O 0.74167044106524 0.36663689835513 0.78281837730648 15.999 > 103 104 O 0.74167044106524 0.86663689835513 0.78281837730648 15.999 > 103 105 O 0.25832955893476 0.11663689835513 0.71718162269352 15.999 > 105 106 O 0.25832955893476 0.61663689835513 0.71718162269352 15.999 > 105 107 O 0.90608259428413 0.16217383844706 0.74343699490006 15.999 > 107 108 O 0.90608259428413 0.66217383844706 0.74343699490006 15.999 > 107 109 O 0.90608259428413 0.08782616155294 0.24343699490006 15.999 > 109 110 O 0.90608259428413 0.58782616155294 0.24343699490006 15.999 > 109 111 O 0.97283495732956 0.36486062936772 0.91547554028778 15.999 > 111 112 O 0.97283495732956 0.86486062936772 0.91547554028778 15.999 > 111 113 O 0.38661161394662 0.33114069871446 0.28967296252423 15.999 > 113 114 O 0.38661161394662 0.83114069871446 0.28967296252423 15.999 > 113 115 O 0.46221453503816 0.32157113721681 0.09557277588115 15.999 > 115 116 O 0.46221453503816 0.82157113721681 0.09557277588115 15.999 > 115 117 O 0.38661161394662 0.41885930128554 0.78967296252423 15.999 > 117 118 O 0.38661161394662 0.91885930128554 0.78967296252423 15.999 > 117 119 O 0.97283495732956 0.38513937063228 0.41547554028778 15.999 > 119 120 O 0.97283495732956 0.88513937063228 0.41547554028778 15.999 > 119 121 O 0.27502720153493 0.41429412437002 0.46961166311339 15.999 > 121 122 O 0.27502720153493 0.91429412437002 0.46961166311339 15.999 > 121 123 O 0.46221453503816 0.42842886278319 0.59557277588115 15.999 > 123 124 O 0.46221453503816 0.92842886278319 0.59557277588115 15.999 > 123 125 O 0.27502720153493 0.33570587562998 0.96961166311339 15.999 > 125 126 O 0.27502720153493 0.83570587562998 0.96961166311339 15.999 > 125 127 O 0.64014069730726 0.29953817450312 0.45255209484436 15.999 > 127 128 O 0.64014069730726 0.79953817450312 0.45255209484436 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9883327 0.0000000 -0.0028641 0.0000000 2.9406540 0.0000000 -0.0028632 0.0000000 2.9498976 -------------------------- Born effective charges -------------------------- 1 Zn 2.5374254 -0.2336365 -0.1924584 0.0136698 2.3887888 -0.1753968 -0.1265450 -0.0648337 2.1563207 2 Zn 2.1759665 -0.1784159 0.0556680 -0.2055810 2.1233925 -0.0137639 -0.0882215 -0.1046135 2.2771418 3 Zn 1.9430895 0.0398160 -0.0134744 0.0715954 2.2078485 -0.0125286 0.0922897 0.2310049 2.2866739 4 Zn 2.5374254 0.2336365 -0.1924584 -0.0136698 2.3887888 0.1753968 -0.1265450 0.0648337 2.1563207 5 Zn 1.9430895 -0.0398160 -0.0134744 -0.0715954 2.2078485 0.0125286 0.0922897 -0.2310049 2.2866739 6 Zn 1.9430895 0.0398160 -0.0134744 0.0715954 2.2078485 -0.0125286 0.0922897 0.2310049 2.2866739 7 Zn 2.1759665 -0.1784159 0.0556680 -0.2055810 2.1233925 -0.0137639 -0.0882215 -0.1046135 2.2771418 8 Zn 2.5374254 0.2336365 -0.1924584 -0.0136698 2.3887888 0.1753968 -0.1265450 0.0648337 2.1563207 9 Zn 2.5374254 -0.2336365 -0.1924584 0.0136698 2.3887888 -0.1753968 -0.1265450 -0.0648337 2.1563207 10 Zn 2.1759665 0.1784159 0.0556680 0.2055810 2.1233925 0.0137639 -0.0882215 0.1046135 2.2771418 11 Zn 2.1759665 0.1784159 0.0556680 0.2055810 2.1233925 0.0137639 -0.0882215 0.1046135 2.2771418 12 Zn 1.9430895 -0.0398160 -0.0134744 -0.0715954 2.2078485 0.0125286 0.0922897 -0.2310049 2.2866739 13 P 3.2502602 0.0824721 -0.0668785 -0.0479050 3.4861139 0.1846845 -0.2603296 -0.0580901 3.1940105 14 P 3.5032744 0.1142693 0.0067561 0.0610439 3.1733073 -0.1019143 -0.0270538 -0.2834762 3.5447248 15 P 3.5032744 0.1142693 0.0067561 0.0610439 3.1733073 -0.1019143 -0.0270538 -0.2834762 3.5447248 16 P 3.2502602 -0.0824721 -0.0668785 0.0479050 3.4861139 -0.1846845 -0.2603296 0.0580901 3.1940105 17 P 3.2502602 0.0824721 -0.0668785 -0.0479050 3.4861139 0.1846845 -0.2603296 -0.0580901 3.1940105 18 P 3.2502602 -0.0824721 -0.0668785 0.0479050 3.4861139 -0.1846845 -0.2603296 0.0580901 3.1940105 19 P 3.5032744 -0.1142693 0.0067561 -0.0610439 3.1733073 0.1019143 -0.0270538 0.2834762 3.5447248 20 P 3.5032744 -0.1142693 0.0067561 -0.0610439 3.1733073 0.1019143 -0.0270538 0.2834762 3.5447248 21 H 0.6606445 -0.5695505 0.0633896 -0.4674040 0.9192499 -0.1137127 -0.0206418 0.0087675 0.3620625 22 H 1.1635110 -0.0128619 0.3225525 0.0440368 0.2411607 0.0505973 0.5042274 0.0360677 0.5752813 23 H 1.1635110 0.0128619 0.3225525 -0.0440368 0.2411607 -0.0505973 0.5042274 -0.0360677 0.5752813 24 H 1.1635110 -0.0128619 0.3225525 0.0440368 0.2411607 0.0505973 0.5042274 0.0360677 0.5752813 25 H 0.6606445 0.5695505 0.0633896 0.4674040 0.9192499 0.1137127 -0.0206418 -0.0087675 0.3620625 26 H 0.6606445 -0.5695505 0.0633896 -0.4674040 0.9192499 -0.1137127 -0.0206418 0.0087675 0.3620625 27 H 1.1635110 0.0128619 0.3225525 -0.0440368 0.2411607 -0.0505973 0.5042274 -0.0360677 0.5752813 28 H 0.6606445 0.5695505 0.0633896 0.4674040 0.9192499 0.1137127 -0.0206418 -0.0087675 0.3620625 29 O -1.3994056 -0.2808345 -0.1894657 -0.1866785 -1.0929724 0.1238262 -0.2722463 0.1960792 -1.0626080 30 O -1.5845884 -0.0308519 0.2875524 -0.0337529 -1.7561692 -0.6684228 0.2799860 -0.7744440 -1.8759945 31 O -1.4409223 0.0972150 -0.1315839 0.0355929 -1.2865394 0.5469171 0.0075498 0.6128597 -2.2559799 32 O -1.5845884 0.0308519 0.2875524 0.0337529 -1.7561692 0.6684228 0.2799860 0.7744440 -1.8759945 33 O -2.2553925 -0.7326659 -0.3338938 -0.6726318 -1.3920122 -0.2231531 -0.4006880 -0.3166766 -1.2580343 34 O -1.4409223 -0.0972150 -0.1315839 -0.0355929 -1.2865394 -0.5469171 0.0075498 -0.6128597 -2.2559799 35 O -1.9192197 0.1310947 0.6474667 0.1217787 -1.4310299 0.1016058 0.7393900 0.0505000 -1.5494951 36 O -2.1094085 -0.4989034 -0.0811318 -0.4427995 -1.6767373 -0.4207953 -0.0840744 -0.4634611 -1.3719288 37 O -1.4409223 -0.0972150 -0.1315839 -0.0355929 -1.2865394 -0.5469171 0.0075498 -0.6128597 -2.2559799 38 O -1.0605249 -0.3471504 0.0147116 -0.3769167 -2.5260414 0.0811315 0.0204720 0.1441221 -1.6658855 39 O -1.9192197 0.1310947 0.6474667 0.1217787 -1.4310299 0.1016058 0.7393900 0.0505000 -1.5494951 40 O -2.0963164 -0.2321413 -0.1987333 -0.3112878 -1.7178016 -0.4754116 -0.1297953 -0.3735012 -1.3480882 41 O -1.3994056 0.2808345 -0.1894657 0.1866785 -1.0929724 -0.1238262 -0.2722463 -0.1960792 -1.0626080 42 O -2.0963164 0.2321413 -0.1987333 0.3112878 -1.7178016 0.4754116 -0.1297953 0.3735012 -1.3480882 43 O -1.3683930 0.1093268 -0.1904773 0.0768910 -1.6605580 -0.5836656 -0.2343192 -0.5142823 -2.0082012 44 O -2.2553925 0.7326659 -0.3338938 0.6726318 -1.3920122 0.2231531 -0.4006880 0.3166766 -1.2580343 45 O -1.0605249 0.3471504 0.0147116 0.3769167 -2.5260414 -0.0811315 0.0204720 -0.1441221 -1.6658855 46 O -1.4409223 0.0972150 -0.1315839 0.0355929 -1.2865394 0.5469171 0.0075498 0.6128597 -2.2559799 47 O -1.9192197 -0.1310947 0.6474667 -0.1217787 -1.4310299 -0.1016058 0.7393900 -0.0505000 -1.5494951 48 O -1.0605249 -0.3471504 0.0147116 -0.3769167 -2.5260414 0.0811315 0.0204720 0.1441221 -1.6658855 49 O -2.1094085 0.4989034 -0.0811318 0.4427995 -1.6767373 0.4207953 -0.0840744 0.4634611 -1.3719288 50 O -1.9192197 -0.1310947 0.6474667 -0.1217787 -1.4310299 -0.1016058 0.7393900 -0.0505000 -1.5494951 51 O -1.3683930 -0.1093268 -0.1904773 -0.0768910 -1.6605580 0.5836656 -0.2343192 0.5142823 -2.0082012 52 O -1.5845884 -0.0308519 0.2875524 -0.0337529 -1.7561692 -0.6684228 0.2799860 -0.7744440 -1.8759945 53 O -1.5845884 0.0308519 0.2875524 0.0337529 -1.7561692 0.6684228 0.2799860 0.7744440 -1.8759945 54 O -2.1094085 0.4989034 -0.0811318 0.4427995 -1.6767373 0.4207953 -0.0840744 0.4634611 -1.3719288 55 O -2.1094085 -0.4989034 -0.0811318 -0.4427995 -1.6767373 -0.4207953 -0.0840744 -0.4634611 -1.3719288 56 O -1.3994056 -0.2808345 -0.1894657 -0.1866785 -1.0929724 0.1238262 -0.2722463 0.1960792 -1.0626080 57 O -2.2553925 -0.7326659 -0.3338938 -0.6726318 -1.3920122 -0.2231531 -0.4006880 -0.3166766 -1.2580343 58 O -2.0963164 0.2321413 -0.1987333 0.3112878 -1.7178016 0.4754116 -0.1297953 0.3735012 -1.3480882 59 O -2.2553925 0.7326659 -0.3338938 0.6726318 -1.3920122 0.2231531 -0.4006880 0.3166766 -1.2580343 60 O -1.3994056 0.2808345 -0.1894657 0.1866785 -1.0929724 -0.1238262 -0.2722463 -0.1960792 -1.0626080 61 O -1.3683930 -0.1093268 -0.1904773 -0.0768910 -1.6605580 0.5836656 -0.2343192 0.5142823 -2.0082012 62 O -2.0963164 -0.2321413 -0.1987333 -0.3112878 -1.7178016 -0.4754116 -0.1297953 -0.3735012 -1.3480882 63 O -1.3683930 0.1093268 -0.1904773 0.0768910 -1.6605580 -0.5836656 -0.2343192 -0.5142823 -2.0082012 64 O -1.0605249 0.3471504 0.0147116 0.3769167 -2.5260414 -0.0811315 0.0204720 -0.1441221 -1.6658855 ---------------------------------------------------------------------------- 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 3, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 27, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 43, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 59, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 71, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 75, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 79, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:18:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:18:11]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.695045920038902 0.000000000000000 0.000000000000000 b 0.000000000000000 4.867846770000000 0.000000000000000 c -1.616252222408298 0.000000000000000 16.688872345284754 Atomic positions (fractional): 1 Zn 0.07773029275107 0.01060745025338 0.17959936144001 65.380 2 Zn 0.43210139644282 0.29449855243329 0.15276351235133 65.380 3 Zn 0.67031555213535 0.70317497778470 0.05669417792203 65.380 4 Zn 0.92226970724893 0.51060745025338 0.32040063855999 65.380 5 Zn 0.67031555213535 0.79682502221530 0.55669417792203 65.380 6 Zn 0.32968444786465 0.29682502221530 0.94330582207797 65.380 7 Zn 0.56789860355718 0.70550144756671 0.84723648764867 65.380 8 Zn 0.07773029275107 0.48939254974662 0.67959936144001 65.380 9 Zn 0.92226970724893 0.98939254974662 0.82040063855999 65.380 10 Zn 0.56789860355718 0.79449855243329 0.34723648764867 65.380 11 Zn 0.43210139644282 0.20550144756671 0.65276351235133 65.380 12 Zn 0.32968444786465 0.20317497778470 0.44330582207797 65.380 13 P 0.68675417495351 0.21064802372602 0.94552324638495 30.974 14 P 0.76222833150667 0.99547340452582 0.21808883259918 30.974 15 P 0.23777166849334 0.00452659547418 0.78191116740082 30.974 16 P 0.31324582504649 0.71064802372602 0.55447675361505 30.974 17 P 0.31324582504649 0.78935197627398 0.05447675361505 30.974 18 P 0.68675417495351 0.28935197627398 0.44552324638495 30.974 19 P 0.23777166849334 0.49547340452582 0.28191116740082 30.974 20 P 0.76222833150667 0.50452659547418 0.71808883259918 30.974 21 H 0.92744563682345 0.95735687436460 0.40561886024132 1.008 22 H 0.08506983874409 0.79038677504032 0.43315528736183 1.008 23 H 0.08506983874409 0.70961322495968 0.93315528736183 1.008 24 H 0.91493016125591 0.20961322495968 0.56684471263817 1.008 25 H 0.92744563682345 0.54264312563540 0.90561886024132 1.008 26 H 0.07255436317655 0.04264312563540 0.59438113975868 1.008 27 H 0.91493016125591 0.29038677504032 0.06684471263817 1.008 28 H 0.07255436317655 0.45735687436460 0.09438113975868 1.008 29 O 0.02716504267044 0.27027874126456 0.08452445971222 15.999 30 O 0.25832955893476 0.26672620328974 0.21718162269352 15.999 31 O 0.80461386321212 0.64964703738432 0.64094857873121 15.999 32 O 0.74167044106524 0.76672620328974 0.28281837730648 15.999 33 O 0.61338838605338 0.33771860257109 0.71032703747577 15.999 34 O 0.80461386321212 0.85035296261568 0.14094857873121 15.999 35 O 0.81907426196369 0.25083127720346 0.39383915046854 15.999 36 O 0.09391740571587 0.82434767689412 0.75656300509994 15.999 37 O 0.19538613678788 0.14964703738432 0.85905142126879 15.999 38 O 0.35985930269274 0.09907634900625 0.04744790515564 15.999 39 O 0.18092573803632 0.74916872279654 0.60616084953146 15.999 40 O 0.53778546496184 0.14314227443362 0.40442722411885 15.999 41 O 0.02716504267044 0.22972125873544 0.58452445971222 15.999 42 O 0.53778546496184 0.35685772556638 0.90442722411885 15.999 43 O 0.72497279846507 0.32858824874004 0.03038833688661 15.999 44 O 0.61338838605338 0.16228139742891 0.21032703747577 15.999 45 O 0.35985930269274 0.40092365099375 0.54744790515564 15.999 46 O 0.19538613678788 0.35035296261568 0.35905142126879 15.999 47 O 0.18092573803632 0.75083127720346 0.10616084953146 15.999 48 O 0.64014069730726 0.90092365099375 0.95255209484436 15.999 49 O 0.09391740571587 0.67565232310588 0.25656300509994 15.999 50 O 0.81907426196369 0.24916872279654 0.89383915046854 15.999 51 O 0.72497279846507 0.17141175125996 0.53038833688661 15.999 52 O 0.74167044106524 0.73327379671026 0.78281837730648 15.999 53 O 0.25832955893476 0.23327379671026 0.71718162269352 15.999 54 O 0.90608259428413 0.32434767689412 0.74343699490006 15.999 55 O 0.90608259428413 0.17565232310588 0.24343699490006 15.999 56 O 0.97283495732956 0.72972125873544 0.91547554028778 15.999 57 O 0.38661161394662 0.66228139742891 0.28967296252423 15.999 58 O 0.46221453503816 0.64314227443362 0.09557277588115 15.999 59 O 0.38661161394662 0.83771860257109 0.78967296252423 15.999 60 O 0.97283495732956 0.77027874126456 0.41547554028778 15.999 61 O 0.27502720153493 0.82858824874004 0.46961166311339 15.999 62 O 0.46221453503816 0.85685772556638 0.59557277588115 15.999 63 O 0.27502720153493 0.67141175125996 0.96961166311339 15.999 64 O 0.64014069730726 0.59907634900625 0.45255209484436 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.695045920038902 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735693540000000 0.000000000000000 c -1.616252222408298 0.000000000000000 16.688872345284754 Atomic positions (fractional): 1 Zn 0.07773029275107 0.00530372512669 0.17959936144001 65.380 > 1 2 Zn 0.07773029275107 0.50530372512669 0.17959936144001 65.380 > 1 3 Zn 0.43210139644282 0.14724927621665 0.15276351235133 65.380 > 3 4 Zn 0.43210139644282 0.64724927621665 0.15276351235133 65.380 > 3 5 Zn 0.67031555213535 0.35158748889235 0.05669417792203 65.380 > 5 6 Zn 0.67031555213535 0.85158748889235 0.05669417792203 65.380 > 5 7 Zn 0.92226970724893 0.25530372512669 0.32040063855999 65.380 > 7 8 Zn 0.92226970724893 0.75530372512669 0.32040063855999 65.380 > 7 9 Zn 0.67031555213535 0.39841251110765 0.55669417792203 65.380 > 9 10 Zn 0.67031555213535 0.89841251110765 0.55669417792203 65.380 > 9 11 Zn 0.32968444786465 0.14841251110765 0.94330582207797 65.380 > 11 12 Zn 0.32968444786465 0.64841251110765 0.94330582207797 65.380 > 11 13 Zn 0.56789860355718 0.35275072378335 0.84723648764867 65.380 > 13 14 Zn 0.56789860355718 0.85275072378335 0.84723648764867 65.380 > 13 15 Zn 0.07773029275107 0.24469627487331 0.67959936144001 65.380 > 15 16 Zn 0.07773029275107 0.74469627487331 0.67959936144001 65.380 > 15 17 Zn 0.92226970724893 0.49469627487331 0.82040063855999 65.380 > 17 18 Zn 0.92226970724893 0.99469627487331 0.82040063855999 65.380 > 17 19 Zn 0.56789860355718 0.39724927621665 0.34723648764867 65.380 > 19 20 Zn 0.56789860355718 0.89724927621665 0.34723648764867 65.380 > 19 21 Zn 0.43210139644282 0.10275072378335 0.65276351235133 65.380 > 21 22 Zn 0.43210139644282 0.60275072378335 0.65276351235133 65.380 > 21 23 Zn 0.32968444786465 0.10158748889235 0.44330582207797 65.380 > 23 24 Zn 0.32968444786465 0.60158748889235 0.44330582207797 65.380 > 23 25 P 0.68675417495351 0.10532401186301 0.94552324638495 30.974 > 25 26 P 0.68675417495351 0.60532401186301 0.94552324638495 30.974 > 25 27 P 0.76222833150667 0.49773670226291 0.21808883259918 30.974 > 27 28 P 0.76222833150667 0.99773670226291 0.21808883259918 30.974 > 27 29 P 0.23777166849334 0.00226329773709 0.78191116740082 30.974 > 29 30 P 0.23777166849334 0.50226329773709 0.78191116740082 30.974 > 29 31 P 0.31324582504649 0.35532401186301 0.55447675361505 30.974 > 31 32 P 0.31324582504649 0.85532401186301 0.55447675361505 30.974 > 31 33 P 0.31324582504649 0.39467598813699 0.05447675361505 30.974 > 33 34 P 0.31324582504649 0.89467598813699 0.05447675361505 30.974 > 33 35 P 0.68675417495351 0.14467598813699 0.44552324638495 30.974 > 35 36 P 0.68675417495351 0.64467598813699 0.44552324638495 30.974 > 35 37 P 0.23777166849334 0.24773670226291 0.28191116740082 30.974 > 37 38 P 0.23777166849334 0.74773670226291 0.28191116740082 30.974 > 37 39 P 0.76222833150667 0.25226329773709 0.71808883259918 30.974 > 39 40 P 0.76222833150667 0.75226329773709 0.71808883259918 30.974 > 39 41 H 0.92744563682345 0.47867843718230 0.40561886024132 1.008 > 41 42 H 0.92744563682345 0.97867843718230 0.40561886024132 1.008 > 41 43 H 0.08506983874409 0.39519338752016 0.43315528736183 1.008 > 43 44 H 0.08506983874409 0.89519338752016 0.43315528736183 1.008 > 43 45 H 0.08506983874409 0.35480661247984 0.93315528736183 1.008 > 45 46 H 0.08506983874409 0.85480661247984 0.93315528736183 1.008 > 45 47 H 0.91493016125591 0.10480661247984 0.56684471263817 1.008 > 47 48 H 0.91493016125591 0.60480661247984 0.56684471263817 1.008 > 47 49 H 0.92744563682345 0.27132156281770 0.90561886024132 1.008 > 49 50 H 0.92744563682345 0.77132156281770 0.90561886024132 1.008 > 49 51 H 0.07255436317655 0.02132156281770 0.59438113975868 1.008 > 51 52 H 0.07255436317655 0.52132156281770 0.59438113975868 1.008 > 51 53 H 0.91493016125591 0.14519338752016 0.06684471263817 1.008 > 53 54 H 0.91493016125591 0.64519338752016 0.06684471263817 1.008 > 53 55 H 0.07255436317655 0.22867843718230 0.09438113975868 1.008 > 55 56 H 0.07255436317655 0.72867843718230 0.09438113975868 1.008 > 55 57 O 0.02716504267044 0.13513937063228 0.08452445971222 15.999 > 57 58 O 0.02716504267044 0.63513937063228 0.08452445971222 15.999 > 57 59 O 0.25832955893476 0.13336310164487 0.21718162269352 15.999 > 59 60 O 0.25832955893476 0.63336310164487 0.21718162269352 15.999 > 59 61 O 0.80461386321212 0.32482351869216 0.64094857873121 15.999 > 61 62 O 0.80461386321212 0.82482351869216 0.64094857873121 15.999 > 61 63 O 0.74167044106524 0.38336310164487 0.28281837730648 15.999 > 63 64 O 0.74167044106524 0.88336310164487 0.28281837730648 15.999 > 63 65 O 0.61338838605338 0.16885930128554 0.71032703747577 15.999 > 65 66 O 0.61338838605338 0.66885930128554 0.71032703747577 15.999 > 65 67 O 0.80461386321212 0.42517648130784 0.14094857873121 15.999 > 67 68 O 0.80461386321212 0.92517648130784 0.14094857873121 15.999 > 67 69 O 0.81907426196369 0.12541563860173 0.39383915046854 15.999 > 69 70 O 0.81907426196369 0.62541563860173 0.39383915046854 15.999 > 69 71 O 0.09391740571587 0.41217383844706 0.75656300509994 15.999 > 71 72 O 0.09391740571587 0.91217383844706 0.75656300509994 15.999 > 71 73 O 0.19538613678788 0.07482351869216 0.85905142126879 15.999 > 73 74 O 0.19538613678788 0.57482351869216 0.85905142126879 15.999 > 73 75 O 0.35985930269274 0.04953817450312 0.04744790515564 15.999 > 75 76 O 0.35985930269274 0.54953817450312 0.04744790515564 15.999 > 75 77 O 0.18092573803632 0.37458436139827 0.60616084953146 15.999 > 77 78 O 0.18092573803632 0.87458436139827 0.60616084953146 15.999 > 77 79 O 0.53778546496184 0.07157113721681 0.40442722411885 15.999 > 79 80 O 0.53778546496184 0.57157113721681 0.40442722411885 15.999 > 79 81 O 0.02716504267044 0.11486062936772 0.58452445971222 15.999 > 81 82 O 0.02716504267044 0.61486062936772 0.58452445971222 15.999 > 81 83 O 0.53778546496184 0.17842886278319 0.90442722411885 15.999 > 83 84 O 0.53778546496184 0.67842886278319 0.90442722411885 15.999 > 83 85 O 0.72497279846507 0.16429412437002 0.03038833688661 15.999 > 85 86 O 0.72497279846507 0.66429412437002 0.03038833688661 15.999 > 85 87 O 0.61338838605338 0.08114069871446 0.21032703747577 15.999 > 87 88 O 0.61338838605338 0.58114069871446 0.21032703747577 15.999 > 87 89 O 0.35985930269274 0.20046182549688 0.54744790515564 15.999 > 89 90 O 0.35985930269274 0.70046182549688 0.54744790515564 15.999 > 89 91 O 0.19538613678788 0.17517648130784 0.35905142126879 15.999 > 91 92 O 0.19538613678788 0.67517648130784 0.35905142126879 15.999 > 91 93 O 0.18092573803632 0.37541563860173 0.10616084953146 15.999 > 93 94 O 0.18092573803632 0.87541563860173 0.10616084953146 15.999 > 93 95 O 0.64014069730726 0.45046182549688 0.95255209484436 15.999 > 95 96 O 0.64014069730726 0.95046182549688 0.95255209484436 15.999 > 95 97 O 0.09391740571587 0.33782616155294 0.25656300509994 15.999 > 97 98 O 0.09391740571587 0.83782616155294 0.25656300509994 15.999 > 97 99 O 0.81907426196369 0.12458436139827 0.89383915046854 15.999 > 99 100 O 0.81907426196369 0.62458436139827 0.89383915046854 15.999 > 99 101 O 0.72497279846507 0.08570587562998 0.53038833688661 15.999 > 101 102 O 0.72497279846507 0.58570587562998 0.53038833688661 15.999 > 101 103 O 0.74167044106524 0.36663689835513 0.78281837730648 15.999 > 103 104 O 0.74167044106524 0.86663689835513 0.78281837730648 15.999 > 103 105 O 0.25832955893476 0.11663689835513 0.71718162269352 15.999 > 105 106 O 0.25832955893476 0.61663689835513 0.71718162269352 15.999 > 105 107 O 0.90608259428413 0.16217383844706 0.74343699490006 15.999 > 107 108 O 0.90608259428413 0.66217383844706 0.74343699490006 15.999 > 107 109 O 0.90608259428413 0.08782616155294 0.24343699490006 15.999 > 109 110 O 0.90608259428413 0.58782616155294 0.24343699490006 15.999 > 109 111 O 0.97283495732956 0.36486062936772 0.91547554028778 15.999 > 111 112 O 0.97283495732956 0.86486062936772 0.91547554028778 15.999 > 111 113 O 0.38661161394662 0.33114069871446 0.28967296252423 15.999 > 113 114 O 0.38661161394662 0.83114069871446 0.28967296252423 15.999 > 113 115 O 0.46221453503816 0.32157113721681 0.09557277588115 15.999 > 115 116 O 0.46221453503816 0.82157113721681 0.09557277588115 15.999 > 115 117 O 0.38661161394662 0.41885930128554 0.78967296252423 15.999 > 117 118 O 0.38661161394662 0.91885930128554 0.78967296252423 15.999 > 117 119 O 0.97283495732956 0.38513937063228 0.41547554028778 15.999 > 119 120 O 0.97283495732956 0.88513937063228 0.41547554028778 15.999 > 119 121 O 0.27502720153493 0.41429412437002 0.46961166311339 15.999 > 121 122 O 0.27502720153493 0.91429412437002 0.46961166311339 15.999 > 121 123 O 0.46221453503816 0.42842886278319 0.59557277588115 15.999 > 123 124 O 0.46221453503816 0.92842886278319 0.59557277588115 15.999 > 123 125 O 0.27502720153493 0.33570587562998 0.96961166311339 15.999 > 125 126 O 0.27502720153493 0.83570587562998 0.96961166311339 15.999 > 125 127 O 0.64014069730726 0.29953817450312 0.45255209484436 15.999 > 127 128 O 0.64014069730726 0.79953817450312 0.45255209484436 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9883327 0.0000000 -0.0028641 0.0000000 2.9406540 0.0000000 -0.0028632 0.0000000 2.9498976 -------------------------- Born effective charges -------------------------- 1 Zn 2.5374254 -0.2336365 -0.1924584 0.0136698 2.3887888 -0.1753968 -0.1265450 -0.0648337 2.1563207 2 Zn 2.1759665 -0.1784159 0.0556680 -0.2055810 2.1233925 -0.0137639 -0.0882215 -0.1046135 2.2771418 3 Zn 1.9430895 0.0398160 -0.0134744 0.0715954 2.2078485 -0.0125286 0.0922897 0.2310049 2.2866739 4 Zn 2.5374254 0.2336365 -0.1924584 -0.0136698 2.3887888 0.1753968 -0.1265450 0.0648337 2.1563207 5 Zn 1.9430895 -0.0398160 -0.0134744 -0.0715954 2.2078485 0.0125286 0.0922897 -0.2310049 2.2866739 6 Zn 1.9430895 0.0398160 -0.0134744 0.0715954 2.2078485 -0.0125286 0.0922897 0.2310049 2.2866739 7 Zn 2.1759665 -0.1784159 0.0556680 -0.2055810 2.1233925 -0.0137639 -0.0882215 -0.1046135 2.2771418 8 Zn 2.5374254 0.2336365 -0.1924584 -0.0136698 2.3887888 0.1753968 -0.1265450 0.0648337 2.1563207 9 Zn 2.5374254 -0.2336365 -0.1924584 0.0136698 2.3887888 -0.1753968 -0.1265450 -0.0648337 2.1563207 10 Zn 2.1759665 0.1784159 0.0556680 0.2055810 2.1233925 0.0137639 -0.0882215 0.1046135 2.2771418 11 Zn 2.1759665 0.1784159 0.0556680 0.2055810 2.1233925 0.0137639 -0.0882215 0.1046135 2.2771418 12 Zn 1.9430895 -0.0398160 -0.0134744 -0.0715954 2.2078485 0.0125286 0.0922897 -0.2310049 2.2866739 13 P 3.2502602 0.0824721 -0.0668785 -0.0479050 3.4861139 0.1846845 -0.2603296 -0.0580901 3.1940105 14 P 3.5032744 0.1142693 0.0067561 0.0610439 3.1733073 -0.1019143 -0.0270538 -0.2834762 3.5447248 15 P 3.5032744 0.1142693 0.0067561 0.0610439 3.1733073 -0.1019143 -0.0270538 -0.2834762 3.5447248 16 P 3.2502602 -0.0824721 -0.0668785 0.0479050 3.4861139 -0.1846845 -0.2603296 0.0580901 3.1940105 17 P 3.2502602 0.0824721 -0.0668785 -0.0479050 3.4861139 0.1846845 -0.2603296 -0.0580901 3.1940105 18 P 3.2502602 -0.0824721 -0.0668785 0.0479050 3.4861139 -0.1846845 -0.2603296 0.0580901 3.1940105 19 P 3.5032744 -0.1142693 0.0067561 -0.0610439 3.1733073 0.1019143 -0.0270538 0.2834762 3.5447248 20 P 3.5032744 -0.1142693 0.0067561 -0.0610439 3.1733073 0.1019143 -0.0270538 0.2834762 3.5447248 21 H 0.6606445 -0.5695505 0.0633896 -0.4674040 0.9192499 -0.1137127 -0.0206418 0.0087675 0.3620625 22 H 1.1635110 -0.0128619 0.3225525 0.0440368 0.2411607 0.0505973 0.5042274 0.0360677 0.5752813 23 H 1.1635110 0.0128619 0.3225525 -0.0440368 0.2411607 -0.0505973 0.5042274 -0.0360677 0.5752813 24 H 1.1635110 -0.0128619 0.3225525 0.0440368 0.2411607 0.0505973 0.5042274 0.0360677 0.5752813 25 H 0.6606445 0.5695505 0.0633896 0.4674040 0.9192499 0.1137127 -0.0206418 -0.0087675 0.3620625 26 H 0.6606445 -0.5695505 0.0633896 -0.4674040 0.9192499 -0.1137127 -0.0206418 0.0087675 0.3620625 27 H 1.1635110 0.0128619 0.3225525 -0.0440368 0.2411607 -0.0505973 0.5042274 -0.0360677 0.5752813 28 H 0.6606445 0.5695505 0.0633896 0.4674040 0.9192499 0.1137127 -0.0206418 -0.0087675 0.3620625 29 O -1.3994056 -0.2808345 -0.1894657 -0.1866785 -1.0929724 0.1238262 -0.2722463 0.1960792 -1.0626080 30 O -1.5845884 -0.0308519 0.2875524 -0.0337529 -1.7561692 -0.6684228 0.2799860 -0.7744440 -1.8759945 31 O -1.4409223 0.0972150 -0.1315839 0.0355929 -1.2865394 0.5469171 0.0075498 0.6128597 -2.2559799 32 O -1.5845884 0.0308519 0.2875524 0.0337529 -1.7561692 0.6684228 0.2799860 0.7744440 -1.8759945 33 O -2.2553925 -0.7326659 -0.3338938 -0.6726318 -1.3920122 -0.2231531 -0.4006880 -0.3166766 -1.2580343 34 O -1.4409223 -0.0972150 -0.1315839 -0.0355929 -1.2865394 -0.5469171 0.0075498 -0.6128597 -2.2559799 35 O -1.9192197 0.1310947 0.6474667 0.1217787 -1.4310299 0.1016058 0.7393900 0.0505000 -1.5494951 36 O -2.1094085 -0.4989034 -0.0811318 -0.4427995 -1.6767373 -0.4207953 -0.0840744 -0.4634611 -1.3719288 37 O -1.4409223 -0.0972150 -0.1315839 -0.0355929 -1.2865394 -0.5469171 0.0075498 -0.6128597 -2.2559799 38 O -1.0605249 -0.3471504 0.0147116 -0.3769167 -2.5260414 0.0811315 0.0204720 0.1441221 -1.6658855 39 O -1.9192197 0.1310947 0.6474667 0.1217787 -1.4310299 0.1016058 0.7393900 0.0505000 -1.5494951 40 O -2.0963164 -0.2321413 -0.1987333 -0.3112878 -1.7178016 -0.4754116 -0.1297953 -0.3735012 -1.3480882 41 O -1.3994056 0.2808345 -0.1894657 0.1866785 -1.0929724 -0.1238262 -0.2722463 -0.1960792 -1.0626080 42 O -2.0963164 0.2321413 -0.1987333 0.3112878 -1.7178016 0.4754116 -0.1297953 0.3735012 -1.3480882 43 O -1.3683930 0.1093268 -0.1904773 0.0768910 -1.6605580 -0.5836656 -0.2343192 -0.5142823 -2.0082012 44 O -2.2553925 0.7326659 -0.3338938 0.6726318 -1.3920122 0.2231531 -0.4006880 0.3166766 -1.2580343 45 O -1.0605249 0.3471504 0.0147116 0.3769167 -2.5260414 -0.0811315 0.0204720 -0.1441221 -1.6658855 46 O -1.4409223 0.0972150 -0.1315839 0.0355929 -1.2865394 0.5469171 0.0075498 0.6128597 -2.2559799 47 O -1.9192197 -0.1310947 0.6474667 -0.1217787 -1.4310299 -0.1016058 0.7393900 -0.0505000 -1.5494951 48 O -1.0605249 -0.3471504 0.0147116 -0.3769167 -2.5260414 0.0811315 0.0204720 0.1441221 -1.6658855 49 O -2.1094085 0.4989034 -0.0811318 0.4427995 -1.6767373 0.4207953 -0.0840744 0.4634611 -1.3719288 50 O -1.9192197 -0.1310947 0.6474667 -0.1217787 -1.4310299 -0.1016058 0.7393900 -0.0505000 -1.5494951 51 O -1.3683930 -0.1093268 -0.1904773 -0.0768910 -1.6605580 0.5836656 -0.2343192 0.5142823 -2.0082012 52 O -1.5845884 -0.0308519 0.2875524 -0.0337529 -1.7561692 -0.6684228 0.2799860 -0.7744440 -1.8759945 53 O -1.5845884 0.0308519 0.2875524 0.0337529 -1.7561692 0.6684228 0.2799860 0.7744440 -1.8759945 54 O -2.1094085 0.4989034 -0.0811318 0.4427995 -1.6767373 0.4207953 -0.0840744 0.4634611 -1.3719288 55 O -2.1094085 -0.4989034 -0.0811318 -0.4427995 -1.6767373 -0.4207953 -0.0840744 -0.4634611 -1.3719288 56 O -1.3994056 -0.2808345 -0.1894657 -0.1866785 -1.0929724 0.1238262 -0.2722463 0.1960792 -1.0626080 57 O -2.2553925 -0.7326659 -0.3338938 -0.6726318 -1.3920122 -0.2231531 -0.4006880 -0.3166766 -1.2580343 58 O -2.0963164 0.2321413 -0.1987333 0.3112878 -1.7178016 0.4754116 -0.1297953 0.3735012 -1.3480882 59 O -2.2553925 0.7326659 -0.3338938 0.6726318 -1.3920122 0.2231531 -0.4006880 0.3166766 -1.2580343 60 O -1.3994056 0.2808345 -0.1894657 0.1866785 -1.0929724 -0.1238262 -0.2722463 -0.1960792 -1.0626080 61 O -1.3683930 -0.1093268 -0.1904773 -0.0768910 -1.6605580 0.5836656 -0.2343192 0.5142823 -2.0082012 62 O -2.0963164 -0.2321413 -0.1987333 -0.3112878 -1.7178016 -0.4754116 -0.1297953 -0.3735012 -1.3480882 63 O -1.3683930 0.1093268 -0.1904773 0.0768910 -1.6605580 -0.5836656 -0.2343192 -0.5142823 -2.0082012 64 O -1.0605249 0.3471504 0.0147116 0.3769167 -2.5260414 -0.0811315 0.0204720 -0.1441221 -1.6658855 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 10 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 295, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.472 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.778 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 6.656 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 8.098 ( 0.000 0.000 0.000) 0.000 8.119 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 9.071 ( 0.000 0.000 0.000) 0.000 9.142 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.437 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 10.417 ( 0.000 0.000 0.000) 0.000 10.706 ( 0.000 0.000 0.000) 0.000 10.950 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.312 ( 0.000 0.000 0.000) 0.000 11.357 ( 0.000 0.000 0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 11.622 ( 0.000 0.000 0.000) 0.000 11.720 ( 0.000 0.000 0.000) 0.000 11.752 ( 0.000 0.000 0.000) 0.000 11.842 ( 0.000 0.000 0.000) 0.000 12.151 ( 0.000 0.000 0.000) 0.000 12.358 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 0.000) 0.000 12.595 ( 0.000 0.000 0.000) 0.000 12.760 ( 0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 13.227 ( 0.000 0.000 0.000) 0.000 13.266 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 0.000) 0.000 13.851 ( 0.000 0.000 0.000) 0.000 13.869 ( 0.000 0.000 0.000) 0.000 13.911 ( 0.000 0.000 0.000) 0.000 14.410 ( 0.000 0.000 0.000) 0.000 14.432 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 14.697 ( 0.000 0.000 0.000) 0.000 15.212 ( 0.000 0.000 0.000) 0.000 15.214 ( 0.000 0.000 0.000) 0.000 15.217 ( 0.000 0.000 0.000) 0.000 15.229 ( 0.000 0.000 0.000) 0.000 16.078 ( 0.000 0.000 0.000) 0.000 16.096 ( 0.000 0.000 0.000) 0.000 16.345 ( 0.000 0.000 0.000) 0.000 16.367 ( 0.000 0.000 0.000) 0.000 16.405 ( 0.000 0.000 0.000) 0.000 16.405 ( 0.000 0.000 0.000) 0.000 16.927 ( 0.000 0.000 0.000) 0.000 16.941 ( 0.000 0.000 0.000) 0.000 17.680 ( 0.000 0.000 0.000) 0.000 17.720 ( 0.000 0.000 0.000) 0.000 17.732 ( 0.000 0.000 0.000) 0.000 17.763 ( 0.000 0.000 0.000) 0.000 17.964 ( 0.000 0.000 0.000) 0.000 18.159 ( 0.000 0.000 0.000) 0.000 18.174 ( 0.000 0.000 0.000) 0.000 18.368 ( 0.000 0.000 0.000) 0.000 19.425 ( 0.000 0.000 0.000) 0.000 19.466 ( 0.000 0.000 0.000) 0.000 19.721 ( 0.000 0.000 0.000) 0.000 19.736 ( 0.000 0.000 0.000) 0.000 20.897 ( 0.000 0.000 0.000) 0.000 20.940 ( 0.000 0.000 0.000) 0.000 21.076 ( 0.000 0.000 0.000) 0.000 21.155 ( 0.000 0.000 0.000) 0.000 22.751 ( 0.000 0.000 0.000) 0.000 23.238 ( 0.000 0.000 0.000) 0.000 24.290 ( 0.000 0.000 0.000) 0.000 24.357 ( 0.000 0.000 0.000) 0.000 25.230 ( 0.000 0.000 0.000) 0.000 25.426 ( 0.000 0.000 0.000) 0.000 25.856 ( 0.000 0.000 0.000) 0.000 26.073 ( 0.000 0.000 0.000) 0.000 27.213 ( 0.000 0.000 0.000) 0.000 27.340 ( 0.000 0.000 0.000) 0.000 27.360 ( 0.000 0.000 0.000) 0.000 27.405 ( 0.000 0.000 0.000) 0.000 27.422 ( 0.000 0.000 0.000) 0.000 27.429 ( 0.000 0.000 0.000) 0.000 27.456 ( 0.000 0.000 0.000) 0.000 27.482 ( 0.000 0.000 0.000) 0.000 27.579 ( 0.000 0.000 0.000) 0.000 27.748 ( 0.000 0.000 0.000) 0.000 27.860 ( 0.000 0.000 0.000) 0.000 27.981 ( 0.000 0.000 0.000) 0.000 28.961 ( 0.000 0.000 0.000) 0.000 29.006 ( 0.000 0.000 0.000) 0.000 29.064 ( 0.000 0.000 0.000) 0.000 29.098 ( 0.000 0.000 0.000) 0.000 29.691 ( 0.000 0.000 0.000) 0.000 29.961 ( 0.000 0.000 0.000) 0.000 30.027 ( 0.000 0.000 0.000) 0.000 30.451 ( 0.000 0.000 0.000) 0.000 30.452 ( 0.000 0.000 0.000) 0.000 31.030 ( 0.000 0.000 0.000) 0.000 31.078 ( 0.000 0.000 0.000) 0.000 31.560 ( 0.000 0.000 0.000) 0.000 33.133 ( 0.000 0.000 0.000) 0.000 33.176 ( 0.000 0.000 0.000) 0.000 33.228 ( 0.000 0.000 0.000) 0.000 33.363 ( 0.000 0.000 0.000) 0.000 33.372 ( 0.000 0.000 0.000) 0.000 33.587 ( 0.000 0.000 0.000) 0.000 34.230 ( 0.000 0.000 0.000) 0.000 34.361 ( 0.000 0.000 0.000) 0.000 47.231 ( 0.000 0.000 0.000) 0.000 47.249 ( 0.000 0.000 0.000) 0.000 47.432 ( 0.000 0.000 0.000) 0.000 47.447 ( 0.000 0.000 0.000) 0.000 96.950 ( 0.000 0.000 0.000) 0.000 96.965 ( 0.000 0.000 0.000) 0.000 97.099 ( 0.000 0.000 0.000) 0.000 97.104 ( 0.000 0.000 0.000) 0.000 98.825 ( 0.000 0.000 0.000) 0.000 98.872 ( 0.000 0.000 0.000) 0.000 99.178 ( 0.000 0.000 0.000) 0.000 99.359 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 18.417 0.000 3.365) 18.722 0.429 ( 22.791 0.000 5.897) 23.542 0.963 ( 41.897 0.000 9.608) 42.984 1.520 ( 6.623 0.000 -10.818) 12.685 1.752 ( 6.596 0.000 10.933) 12.768 1.767 ( 3.461 0.000 -22.833) 23.093 1.933 ( 8.546 0.000 19.490) 21.282 2.099 ( -4.188 0.000 1.744) 4.536 2.134 ( -8.681 0.000 -6.747) 10.994 2.291 ( -3.500 0.000 -7.855) 8.600 2.352 ( 2.698 0.000 5.667) 6.277 2.426 ( 1.658 0.000 -2.480) 2.983 2.589 ( -3.492 0.000 3.303) 4.807 2.698 ( 5.828 0.000 -1.312) 5.974 2.790 ( 0.443 0.000 -2.683) 2.719 2.904 ( 8.782 0.000 -3.658) 9.514 2.952 ( -4.067 0.000 2.830) 4.955 2.996 ( -3.401 0.000 2.397) 4.161 3.081 ( -2.974 0.000 0.817) 3.084 3.201 ( 9.308 0.000 4.083) 10.164 3.219 ( 7.895 0.000 -10.331) 13.003 3.291 ( 12.926 0.000 -6.611) 14.518 3.486 ( 10.496 0.000 -1.923) 10.671 3.565 ( 11.297 0.000 8.798) 14.319 3.744 ( -5.042 0.000 -5.395) 7.385 3.814 ( 1.110 0.000 -0.077) 1.112 3.824 ( 4.059 0.000 0.649) 4.110 3.877 ( -3.353 0.000 3.459) 4.817 3.908 ( 2.011 0.000 2.007) 2.842 4.058 ( -3.629 0.000 2.119) 4.202 4.095 ( -4.058 0.000 -1.160) 4.221 4.218 ( 0.850 0.000 4.118) 4.205 4.287 ( 5.239 0.000 0.376) 5.253 4.353 ( 4.404 0.000 -0.113) 4.405 4.369 ( 0.999 0.000 0.535) 1.133 4.473 ( 1.738 0.000 1.468) 2.274 4.489 ( -4.169 0.000 1.894) 4.579 4.635 ( -5.179 0.000 -3.013) 5.991 4.652 ( -7.179 0.000 -1.486) 7.331 4.846 ( -0.428 0.000 -1.445) 1.507 4.851 ( -2.430 0.000 0.346) 2.454 4.971 ( -0.316 0.000 5.723) 5.732 5.101 ( -1.618 0.000 5.878) 6.096 5.114 ( 4.024 0.000 1.394) 4.259 5.125 ( -10.992 0.000 -4.419) 11.847 5.184 ( -5.051 0.000 1.541) 5.281 5.233 ( -5.079 0.000 2.428) 5.630 5.237 ( 1.412 0.000 -6.792) 6.937 5.431 ( 6.694 0.000 -1.295) 6.818 5.552 ( 2.273 0.000 -0.144) 2.277 5.555 ( 3.106 0.000 -16.560) 16.849 5.668 ( 8.166 0.000 8.696) 11.929 5.679 ( 2.814 0.000 1.860) 3.373 5.739 ( 1.515 0.000 1.136) 1.894 5.786 ( -1.336 0.000 -9.042) 9.140 5.863 ( -0.260 0.000 -5.219) 5.226 6.051 ( -5.498 0.000 -13.462) 14.542 6.157 ( -6.576 0.000 -0.289) 6.582 6.292 ( 1.137 0.000 9.072) 9.143 6.359 ( -8.177 0.000 0.847) 8.221 6.423 ( -11.068 0.000 4.893) 12.101 6.583 ( 0.105 0.000 -0.376) 0.391 6.661 ( -1.426 0.000 -4.602) 4.818 6.771 ( -8.548 0.000 4.085) 9.474 7.047 ( -3.436 0.000 -1.829) 3.892 7.297 ( 5.306 0.000 0.997) 5.399 7.315 ( -4.119 0.000 0.841) 4.204 7.376 ( -0.882 0.000 -0.487) 1.008 7.524 ( 0.273 0.000 1.224) 1.254 7.527 ( 4.314 0.000 -5.686) 7.137 7.716 ( -0.678 0.000 -3.475) 3.541 7.803 ( -1.252 0.000 7.361) 7.467 7.874 ( -1.576 0.000 3.836) 4.147 7.942 ( 3.755 0.000 1.169) 3.933 8.082 ( -1.545 0.000 0.841) 1.759 8.091 ( -2.180 0.000 -0.967) 2.384 8.837 ( 2.949 0.000 0.263) 2.961 8.940 ( 1.772 0.000 0.557) 1.858 9.071 ( -0.162 0.000 -0.660) 0.679 9.115 ( -2.676 0.000 0.358) 2.700 9.433 ( -0.290 0.000 -2.447) 2.465 9.480 ( -0.836 0.000 -3.965) 4.052 9.481 ( -1.468 0.000 -1.024) 1.790 9.746 ( -1.611 0.000 17.953) 18.025 10.391 ( -2.479 0.000 2.837) 3.767 10.695 ( -0.426 0.000 -4.809) 4.828 10.937 ( -1.660 0.000 3.795) 4.143 11.326 ( 1.706 0.000 3.186) 3.614 11.346 ( 4.546 0.000 -5.007) 6.763 11.472 ( 6.038 0.000 2.417) 6.504 11.543 ( -5.869 0.000 -6.595) 8.829 11.549 ( 0.354 0.000 -5.689) 5.700 11.681 ( -1.045 0.000 -3.311) 3.472 11.688 ( -4.086 0.000 0.318) 4.099 11.783 ( 1.139 0.000 -0.046) 1.140 11.906 ( 4.450 0.000 -2.307) 5.012 12.193 ( 3.741 0.000 1.403) 3.995 12.364 ( 0.517 0.000 -0.697) 0.868 12.528 ( -1.951 0.000 10.619) 10.796 12.567 ( -2.033 0.000 -2.283) 3.057 12.792 ( 2.635 0.000 2.410) 3.571 12.817 ( 2.947 0.000 -1.382) 3.255 13.192 ( -3.448 0.000 -0.775) 3.534 13.241 ( -2.615 0.000 0.790) 2.731 13.736 ( -3.538 0.000 1.507) 3.845 13.774 ( -4.336 0.000 -0.396) 4.354 13.988 ( 5.682 0.000 -0.748) 5.731 14.002 ( 6.904 0.000 -0.636) 6.933 14.362 ( -3.335 0.000 0.234) 3.343 14.453 ( -0.655 0.000 4.358) 4.407 14.479 ( -3.683 0.000 0.203) 3.688 14.636 ( -5.533 0.000 -0.873) 5.601 15.206 ( -1.895 0.000 -0.132) 1.899 15.212 ( -0.093 0.000 0.197) 0.218 15.230 ( 0.989 0.000 -0.418) 1.073 15.261 ( 0.214 0.000 4.318) 4.323 16.079 ( -1.356 0.000 1.464) 1.995 16.147 ( -4.020 0.000 -8.297) 9.219 16.351 ( -1.052 0.000 -0.582) 1.203 16.356 ( 0.478 0.000 0.228) 0.529 16.470 ( 5.186 0.000 -0.087) 5.187 16.488 ( 6.671 0.000 -0.099) 6.671 16.940 ( 1.249 0.000 0.193) 1.264 16.964 ( 2.080 0.000 0.080) 2.082 17.619 ( -5.005 0.000 -0.063) 5.006 17.632 ( -4.087 0.000 1.773) 4.454 17.890 ( 5.690 0.000 1.095) 5.794 17.936 ( -2.150 0.000 -1.220) 2.472 18.022 ( 3.780 0.000 2.124) 4.336 18.162 ( -1.230 0.000 0.019) 1.230 18.183 ( 1.953 0.000 0.682) 2.069 18.316 ( -3.589 0.000 -1.868) 4.046 19.510 ( 3.273 0.000 1.901) 3.785 19.746 ( 1.043 0.000 -0.557) 1.182 19.747 ( 2.455 0.000 0.354) 2.481 19.889 ( 1.037 0.000 -12.784) 12.826 20.905 ( 0.827 0.000 -0.601) 1.022 21.086 ( 0.924 0.000 0.142) 0.935 21.116 ( -0.284 0.000 0.150) 0.322 21.156 ( 0.074 0.000 0.126) 0.146 22.773 ( 1.122 0.000 -11.324) 11.380 23.188 ( -4.745 0.000 2.953) 5.589 24.288 ( -0.220 0.000 0.542) 0.585 24.354 ( -0.580 0.000 0.375) 0.691 25.236 ( 0.542 0.000 0.299) 0.620 25.419 ( -0.450 0.000 -1.283) 1.360 25.883 ( 2.434 0.000 1.819) 3.038 26.071 ( -0.719 0.000 -1.573) 1.730 27.226 ( 1.173 0.000 1.347) 1.786 27.303 ( -1.874 0.000 -2.910) 3.461 27.394 ( 1.441 0.000 1.968) 2.439 27.399 ( -2.116 0.000 0.314) 2.139 27.404 ( -1.838 0.000 0.802) 2.006 27.475 ( 1.415 0.000 -2.251) 2.659 27.505 ( 2.216 0.000 -0.155) 2.221 27.522 ( -0.180 0.000 -1.161) 1.175 27.581 ( 0.366 0.000 -1.077) 1.138 27.726 ( -2.240 0.000 1.568) 2.734 27.949 ( -0.911 0.000 8.662) 8.710 27.976 ( -0.267 0.000 -1.713) 1.734 28.971 ( 1.158 0.000 -0.052) 1.159 29.074 ( 0.998 0.000 -1.951) 2.192 29.154 ( 5.021 0.000 1.063) 5.133 29.174 ( 2.848 0.000 -9.625) 10.037 29.913 ( -4.196 0.000 31.741) 32.018 30.010 ( 2.448 0.000 15.336) 15.530 30.046 ( 1.592 0.000 1.841) 2.433 30.331 ( -11.080 0.000 -4.037) 11.793 30.435 ( -1.780 0.000 -0.215) 1.793 30.972 ( -5.877 0.000 -6.196) 8.540 31.463 ( -2.368 0.000 -1.719) 2.926 31.646 ( 4.814 0.000 -0.904) 4.898 33.114 ( -3.887 0.000 -0.524) 3.922 33.127 ( -0.683 0.000 1.940) 2.057 33.362 ( -0.204 0.000 -1.671) 1.684 33.370 ( 0.863 0.000 -1.601) 1.819 33.685 ( 5.866 0.000 9.049) 10.784 34.230 ( -0.143 0.000 1.060) 1.069 34.376 ( 1.424 0.000 0.364) 1.470 34.638 ( 1.580 0.000 -29.842) 29.884 47.250 ( 0.113 0.000 -0.267) 0.290 47.267 ( -0.117 0.000 0.737) 0.747 47.432 ( 0.073 0.000 0.011) 0.074 47.450 ( 0.264 0.000 0.045) 0.268 96.967 ( 0.188 0.000 -1.680) 1.690 96.968 ( 0.207 0.000 0.249) 0.324 97.101 ( 0.224 0.000 0.094) 0.243 97.111 ( 0.557 0.000 0.244) 0.609 98.803 ( -1.164 0.000 -0.686) 1.351 98.870 ( -0.091 0.000 -0.493) 0.501 99.457 ( 8.812 0.000 -6.457) 10.925 100.114 ( -2.639 0.000 27.720) 27.846 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 21.360 0.000 2.202) 21.473 0.893 ( 23.856 0.000 5.398) 24.459 1.501 ( 13.620 0.000 3.969) 14.187 1.655 ( 5.083 0.000 -7.114) 8.744 1.785 ( -4.953 0.000 -7.085) 8.644 1.807 ( -7.025 0.000 1.173) 7.122 1.929 ( -5.577 0.000 -2.216) 6.002 1.959 ( -0.290 0.000 -2.014) 2.035 2.173 ( -5.250 0.000 -0.195) 5.253 2.224 ( 11.795 0.000 5.523) 13.024 2.278 ( -7.842 0.000 5.366) 9.502 2.586 ( 0.698 0.000 0.494) 0.855 2.594 ( 9.027 0.000 4.200) 9.956 2.725 ( -3.098 0.000 -1.345) 3.377 2.883 ( -4.062 0.000 0.690) 4.120 2.923 ( 16.613 0.000 -3.990) 17.086 2.944 ( 0.153 0.000 -4.117) 4.119 3.094 ( 11.309 0.000 -2.120) 11.506 3.102 ( 3.932 0.000 7.800) 8.735 3.328 ( 3.465 0.000 -6.430) 7.304 3.516 ( 20.729 0.000 0.042) 20.729 3.538 ( 11.719 0.000 -3.740) 12.301 3.673 ( 0.240 0.000 -6.511) 6.515 3.686 ( 8.361 0.000 -2.647) 8.770 3.778 ( 7.344 0.000 6.409) 9.747 3.829 ( 0.066 0.000 -0.142) 0.157 3.852 ( 5.157 0.000 -1.350) 5.331 3.959 ( 1.894 0.000 3.420) 3.909 3.960 ( 5.689 0.000 0.165) 5.691 3.977 ( -3.731 0.000 2.554) 4.521 4.052 ( 0.637 0.000 2.676) 2.751 4.219 ( -2.194 0.000 4.304) 4.831 4.316 ( -8.984 0.000 2.098) 9.226 4.371 ( -1.980 0.000 -7.531) 7.787 4.388 ( -4.396 0.000 -0.186) 4.400 4.390 ( 0.375 0.000 3.332) 3.353 4.501 ( 1.381 0.000 -2.716) 3.047 4.505 ( -9.013 0.000 0.264) 9.017 4.543 ( -1.535 0.000 5.942) 6.137 4.725 ( -10.380 0.000 -6.929) 12.480 4.763 ( -3.745 0.000 0.162) 3.749 4.945 ( -6.445 0.000 1.959) 6.736 4.996 ( -5.400 0.000 -1.986) 5.754 5.051 ( 3.667 0.000 4.068) 5.477 5.080 ( 0.343 0.000 5.750) 5.760 5.126 ( -6.610 0.000 -0.204) 6.613 5.174 ( -1.368 0.000 0.230) 1.388 5.359 ( 9.141 0.000 -6.881) 11.441 5.549 ( 5.018 0.000 3.073) 5.884 5.565 ( 0.198 0.000 -4.492) 4.497 5.608 ( 2.993 0.000 -3.691) 4.752 5.720 ( -4.870 0.000 -1.223) 5.021 5.761 ( 1.942 0.000 1.722) 2.596 5.791 ( 1.007 0.000 0.261) 1.040 5.792 ( 6.911 0.000 0.280) 6.917 5.858 ( 0.541 0.000 -0.470) 0.717 5.980 ( 3.071 0.000 -7.307) 7.927 6.073 ( -1.533 0.000 1.813) 2.374 6.156 ( -11.113 0.000 7.147) 13.213 6.216 ( -5.292 0.000 -2.352) 5.791 6.355 ( 0.072 0.000 0.116) 0.137 6.465 ( -11.040 0.000 -1.713) 11.172 6.576 ( -6.294 0.000 0.254) 6.299 6.584 ( -10.628 0.000 4.307) 11.467 6.997 ( -1.274 0.000 -0.515) 1.374 7.187 ( -6.492 0.000 0.070) 6.492 7.357 ( -0.521 0.000 -2.494) 2.548 7.425 ( 6.722 0.000 3.334) 7.504 7.536 ( 0.419 0.000 0.847) 0.945 7.649 ( 6.284 0.000 -6.112) 8.766 7.676 ( -2.141 0.000 -5.300) 5.716 7.770 ( -2.240 0.000 3.686) 4.313 7.847 ( -1.821 0.000 6.232) 6.493 7.985 ( -1.226 0.000 2.314) 2.619 8.054 ( -1.216 0.000 0.322) 1.258 8.092 ( 3.217 0.000 -0.994) 3.367 8.904 ( 3.686 0.000 0.237) 3.694 8.979 ( 1.745 0.000 0.843) 1.938 9.050 ( -3.916 0.000 0.482) 3.945 9.057 ( -0.939 0.000 -1.528) 1.793 9.418 ( -0.267 0.000 -4.620) 4.627 9.453 ( -1.058 0.000 -0.832) 1.346 9.468 ( -0.111 0.000 -0.693) 0.701 9.746 ( -0.710 0.000 5.986) 6.028 10.354 ( -1.672 0.000 2.798) 3.260 10.683 ( 0.213 0.000 -5.025) 5.029 10.906 ( -2.100 0.000 4.276) 4.764 11.378 ( 2.377 0.000 3.416) 4.162 11.399 ( -2.204 0.000 -5.281) 5.723 11.450 ( 1.214 0.000 -1.724) 2.109 11.557 ( 1.450 0.000 -2.552) 2.935 11.564 ( 1.310 0.000 0.801) 1.536 11.647 ( 0.916 0.000 1.310) 1.598 11.654 ( -1.466 0.000 -2.172) 2.621 11.782 ( -1.054 0.000 2.607) 2.812 11.971 ( 2.533 0.000 -2.427) 3.508 12.274 ( 3.764 0.000 0.971) 3.887 12.369 ( 0.131 0.000 -0.534) 0.549 12.506 ( -1.560 0.000 3.950) 4.247 12.528 ( -1.327 0.000 -1.878) 2.299 12.859 ( 3.724 0.000 2.238) 4.345 12.883 ( 3.753 0.000 -1.067) 3.902 13.104 ( -5.055 0.000 -1.244) 5.206 13.176 ( -3.904 0.000 1.134) 4.065 13.687 ( -1.712 0.000 0.848) 1.910 13.713 ( -2.018 0.000 -0.267) 2.036 14.075 ( 3.172 0.000 -1.197) 3.390 14.129 ( 5.733 0.000 0.049) 5.733 14.316 ( -0.970 0.000 0.285) 1.012 14.417 ( -2.165 0.000 0.375) 2.197 14.429 ( -2.190 0.000 1.469) 2.637 14.518 ( -5.678 0.000 -1.003) 5.766 15.169 ( -1.650 0.000 -0.006) 1.650 15.209 ( -0.174 0.000 0.072) 0.188 15.245 ( 0.476 0.000 -0.419) 0.634 15.275 ( 0.524 0.000 1.654) 1.735 16.060 ( -0.857 0.000 1.337) 1.588 16.068 ( -2.701 0.000 -2.966) 4.012 16.331 ( -0.834 0.000 -0.630) 1.045 16.363 ( 0.264 0.000 0.471) 0.540 16.558 ( 3.407 0.000 0.169) 3.411 16.603 ( 4.512 0.000 -0.237) 4.519 16.968 ( 1.350 0.000 -0.007) 1.350 17.005 ( 1.825 0.000 0.074) 1.827 17.562 ( -1.097 0.000 -0.399) 1.167 17.563 ( -2.919 0.000 1.113) 3.124 17.890 ( -1.839 0.000 -2.118) 2.805 17.925 ( -2.057 0.000 1.851) 2.767 18.098 ( 3.179 0.000 1.019) 3.339 18.162 ( 1.857 0.000 -0.170) 1.865 18.218 ( 1.273 0.000 0.658) 1.433 18.269 ( -1.100 0.000 -1.671) 2.001 19.564 ( 1.745 0.000 1.283) 2.166 19.768 ( 1.213 0.000 -0.706) 1.403 19.799 ( 2.357 0.000 0.470) 2.403 19.883 ( -0.026 0.000 -3.386) 3.386 20.923 ( 0.917 0.000 -0.403) 1.001 21.105 ( 0.856 0.000 0.087) 0.860 21.110 ( -0.230 0.000 -0.252) 0.341 21.157 ( 0.062 0.000 0.080) 0.101 22.774 ( 0.387 0.000 -3.736) 3.756 23.102 ( -3.973 0.000 2.522) 4.706 24.284 ( -0.229 0.000 0.535) 0.582 24.336 ( -1.134 0.000 0.042) 1.135 25.248 ( 0.581 0.000 0.334) 0.670 25.409 ( -0.272 0.000 -1.045) 1.079 25.939 ( 2.497 0.000 1.895) 3.135 26.053 ( -0.767 0.000 -1.360) 1.562 27.259 ( 1.823 0.000 1.750) 2.527 27.270 ( -0.976 0.000 -1.991) 2.218 27.345 ( -2.748 0.000 -0.128) 2.751 27.367 ( -2.102 0.000 0.143) 2.107 27.421 ( 0.801 0.000 1.185) 1.430 27.491 ( 0.634 0.000 -2.157) 2.248 27.520 ( 0.001 0.000 0.905) 0.905 27.557 ( 3.043 0.000 -0.115) 3.045 27.587 ( 0.399 0.000 -0.933) 1.015 27.677 ( -2.886 0.000 1.196) 3.124 27.948 ( -0.354 0.000 2.896) 2.918 27.970 ( -0.051 0.000 -1.375) 1.376 28.999 ( 1.494 0.000 0.016) 1.494 29.087 ( 0.619 0.000 -1.788) 1.892 29.220 ( 2.555 0.000 -2.195) 3.368 29.260 ( 4.917 0.000 1.671) 5.193 29.897 ( -1.590 0.000 10.416) 10.537 30.053 ( -5.649 0.000 3.022) 6.406 30.099 ( 4.209 0.000 7.480) 8.582 30.126 ( -2.976 0.000 -6.972) 7.580 30.383 ( -3.292 0.000 -1.101) 3.472 30.896 ( -1.337 0.000 -4.497) 4.692 31.409 ( -2.345 0.000 -2.004) 3.085 31.680 ( -0.592 0.000 0.420) 0.726 33.072 ( -0.568 0.000 -1.109) 1.246 33.118 ( -0.575 0.000 1.759) 1.850 33.360 ( 0.194 0.000 -1.120) 1.137 33.384 ( 0.691 0.000 -1.152) 1.343 33.778 ( 2.167 0.000 6.746) 7.086 34.229 ( -0.126 0.000 1.175) 1.182 34.408 ( 1.446 0.000 0.868) 1.687 34.610 ( -0.278 0.000 -10.789) 10.793 47.252 ( 0.118 0.000 -0.204) 0.236 47.266 ( -0.066 0.000 0.226) 0.235 47.434 ( 0.072 0.000 0.011) 0.073 47.456 ( 0.220 0.000 0.034) 0.222 96.968 ( 0.082 0.000 -0.572) 0.578 96.973 ( 0.183 0.000 0.231) 0.295 97.106 ( 0.221 0.000 0.095) 0.241 97.121 ( 0.384 0.000 0.158) 0.415 98.798 ( 0.496 0.000 -0.122) 0.510 98.868 ( -0.082 0.000 -0.490) 0.496 99.603 ( 6.518 0.000 -5.438) 8.488 100.115 ( -0.834 0.000 9.013) 9.051 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.000 0.000 -0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 -0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.852 ( -0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 -0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 -0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 -0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 -0.000) 0.000 3.673 ( 0.000 0.000 -0.000) 0.000 3.721 ( -0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 -0.000) 0.000 3.771 ( -0.000 0.000 -0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 -0.000) 0.000 3.991 ( 0.000 0.000 -0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 -0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 -0.000) 0.000 4.196 ( 0.000 0.000 -0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 -0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 -0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 -0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 -0.000) 0.000 5.491 ( 0.000 0.000 -0.000) 0.000 5.557 ( 0.000 0.000 -0.000) 0.000 5.618 ( 0.000 0.000 -0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 -0.000) 0.000 6.034 ( 0.000 0.000 -0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.062 ( -0.000 0.000 0.000) 0.000 6.202 ( -0.000 0.000 -0.000) 0.000 6.287 ( 0.000 0.000 -0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 -0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.121 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 -0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 -0.000) 0.000 7.595 ( -0.000 0.000 -0.000) 0.000 7.729 ( 0.000 0.000 -0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 -0.000) 0.000 8.970 ( 0.000 0.000 0.000) 0.000 8.981 ( -0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 -0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.411 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 -0.000) 0.000 9.744 ( 0.000 0.000 0.000) 0.000 10.341 ( 0.000 0.000 0.000) 0.000 10.682 ( 0.000 0.000 0.000) 0.000 10.887 ( 0.000 0.000 -0.000) 0.000 11.353 ( 0.000 0.000 0.000) 0.000 11.407 ( 0.000 0.000 0.000) 0.000 11.475 ( 0.000 0.000 0.000) 0.000 11.561 ( 0.000 0.000 0.000) 0.000 11.588 ( 0.000 0.000 0.000) 0.000 11.622 ( 0.000 0.000 -0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 -0.000) 0.000 11.993 ( 0.000 0.000 -0.000) 0.000 12.315 ( 0.000 0.000 -0.000) 0.000 12.369 ( 0.000 0.000 0.000) 0.000 12.493 ( 0.000 0.000 0.000) 0.000 12.514 ( 0.000 0.000 0.000) 0.000 12.916 ( 0.000 0.000 0.000) 0.000 12.928 ( 0.000 0.000 0.000) 0.000 13.032 ( 0.000 0.000 0.000) 0.000 13.129 ( 0.000 0.000 0.000) 0.000 13.672 ( 0.000 0.000 0.000) 0.000 13.694 ( 0.000 0.000 0.000) 0.000 14.102 ( 0.000 0.000 0.000) 0.000 14.192 ( 0.000 0.000 0.000) 0.000 14.319 ( 0.000 0.000 0.000) 0.000 14.398 ( 0.000 0.000 0.000) 0.000 14.402 ( 0.000 0.000 0.000) 0.000 14.450 ( 0.000 0.000 -0.000) 0.000 15.152 ( 0.000 0.000 0.000) 0.000 15.208 ( 0.000 0.000 0.000) 0.000 15.248 ( 0.000 0.000 0.000) 0.000 15.282 ( 0.000 0.000 0.000) 0.000 16.039 ( 0.000 0.000 0.000) 0.000 16.053 ( 0.000 0.000 0.000) 0.000 16.322 ( 0.000 0.000 0.000) 0.000 16.367 ( 0.000 0.000 -0.000) 0.000 16.591 ( 0.000 0.000 -0.000) 0.000 16.647 ( 0.000 0.000 0.000) 0.000 16.982 ( 0.000 0.000 -0.000) 0.000 17.024 ( 0.000 0.000 -0.000) 0.000 17.535 ( 0.000 0.000 0.000) 0.000 17.557 ( 0.000 0.000 0.000) 0.000 17.869 ( 0.000 0.000 0.000) 0.000 17.892 ( 0.000 0.000 -0.000) 0.000 18.132 ( 0.000 0.000 0.000) 0.000 18.190 ( 0.000 0.000 0.000) 0.000 18.231 ( 0.000 0.000 -0.000) 0.000 18.256 ( 0.000 0.000 0.000) 0.000 19.582 ( 0.000 0.000 -0.000) 0.000 19.781 ( 0.000 0.000 0.000) 0.000 19.824 ( 0.000 0.000 0.000) 0.000 19.879 ( 0.000 0.000 -0.000) 0.000 20.932 ( 0.000 0.000 0.000) 0.000 21.108 ( 0.000 0.000 -0.000) 0.000 21.114 ( 0.000 0.000 0.000) 0.000 21.158 ( 0.000 0.000 0.000) 0.000 22.774 ( 0.000 0.000 -0.000) 0.000 23.065 ( 0.000 0.000 0.000) 0.000 24.282 ( 0.000 0.000 0.000) 0.000 24.323 ( 0.000 0.000 -0.000) 0.000 25.255 ( 0.000 0.000 -0.000) 0.000 25.406 ( 0.000 0.000 0.000) 0.000 25.967 ( 0.000 0.000 0.000) 0.000 26.043 ( 0.000 0.000 -0.000) 0.000 27.259 ( 0.000 0.000 0.000) 0.000 27.287 ( 0.000 0.000 0.000) 0.000 27.314 ( 0.000 0.000 -0.000) 0.000 27.338 ( 0.000 0.000 -0.000) 0.000 27.430 ( 0.000 0.000 0.000) 0.000 27.494 ( 0.000 0.000 0.000) 0.000 27.522 ( 0.000 0.000 -0.000) 0.000 27.591 ( 0.000 0.000 -0.000) 0.000 27.605 ( 0.000 0.000 0.000) 0.000 27.632 ( -0.000 0.000 0.000) 0.000 27.947 ( 0.000 0.000 0.000) 0.000 27.968 ( 0.000 0.000 0.000) 0.000 29.016 ( 0.000 0.000 -0.000) 0.000 29.091 ( 0.000 0.000 0.000) 0.000 29.245 ( 0.000 0.000 0.000) 0.000 29.316 ( 0.000 0.000 -0.000) 0.000 29.891 ( 0.000 0.000 0.000) 0.000 29.959 ( 0.000 0.000 -0.000) 0.000 30.125 ( 0.000 0.000 0.000) 0.000 30.162 ( 0.000 0.000 -0.000) 0.000 30.335 ( 0.000 0.000 0.000) 0.000 30.883 ( 0.000 0.000 -0.000) 0.000 31.382 ( 0.000 0.000 -0.000) 0.000 31.667 ( 0.000 0.000 0.000) 0.000 33.069 ( 0.000 0.000 -0.000) 0.000 33.114 ( 0.000 0.000 -0.000) 0.000 33.362 ( 0.000 0.000 0.000) 0.000 33.389 ( 0.000 0.000 -0.000) 0.000 33.803 ( 0.000 0.000 -0.000) 0.000 34.229 ( 0.000 0.000 0.000) 0.000 34.424 ( 0.000 0.000 0.000) 0.000 34.596 ( 0.000 0.000 0.000) 0.000 47.253 ( 0.000 0.000 0.000) 0.000 47.266 ( 0.000 0.000 0.000) 0.000 47.435 ( 0.000 0.000 0.000) 0.000 47.458 ( 0.000 0.000 0.000) 0.000 96.968 ( 0.000 0.000 0.000) 0.000 96.975 ( 0.000 0.000 -0.000) 0.000 97.108 ( 0.000 0.000 0.000) 0.000 97.125 ( 0.000 0.000 0.000) 0.000 98.805 ( 0.000 0.000 0.000) 0.000 98.866 ( 0.000 0.000 0.000) 0.000 99.663 ( 0.000 0.000 0.000) 0.000 100.115 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 22.232 0.000) 22.232 0.620 ( 0.000 29.354 0.000) 29.354 1.114 ( 0.000 51.916 0.000) 51.916 1.544 ( 0.000 6.442 0.000) 6.442 1.613 ( 0.000 -5.071 0.000) 5.071 1.739 ( 0.000 1.130 0.000) 1.130 1.774 ( 0.000 2.528 0.000) 2.528 2.152 ( 0.000 3.500 0.000) 3.500 2.207 ( 0.000 2.398 0.000) 2.398 2.291 ( 0.000 5.497 0.000) 5.497 2.317 ( 0.000 -3.678 0.000) 3.678 2.593 ( 0.000 11.591 0.000) 11.591 2.640 ( 0.000 0.252 0.000) 0.252 2.708 ( 0.000 5.403 0.000) 5.403 2.829 ( 0.000 7.560 0.000) 7.560 2.914 ( 0.000 -6.913 0.000) 6.913 2.998 ( 0.000 7.262 0.000) 7.262 3.065 ( 0.000 -4.941 0.000) 4.941 3.077 ( 0.000 3.460 0.000) 3.460 3.128 ( 0.000 2.253 0.000) 2.253 3.172 ( 0.000 5.093 0.000) 5.093 3.264 ( 0.000 2.527 0.000) 2.527 3.391 ( 0.000 10.146 0.000) 10.146 3.445 ( 0.000 2.877 0.000) 2.877 3.732 ( 0.000 -5.388 0.000) 5.388 3.821 ( 0.000 3.818 0.000) 3.818 3.883 ( 0.000 0.485 0.000) 0.485 3.972 ( 0.000 4.629 0.000) 4.629 3.996 ( 0.000 3.944 0.000) 3.944 4.093 ( 0.000 -4.854 0.000) 4.854 4.140 ( 0.000 -0.009 0.000) 0.009 4.165 ( 0.000 3.396 0.000) 3.396 4.277 ( 0.000 3.975 0.000) 3.975 4.286 ( 0.000 1.025 0.000) 1.025 4.345 ( 0.000 0.858 0.000) 0.858 4.495 ( 0.000 -2.663 0.000) 2.663 4.565 ( 0.000 -0.130 0.000) 0.130 4.629 ( 0.000 -4.268 0.000) 4.268 4.768 ( 0.000 0.380 0.000) 0.380 4.786 ( 0.000 -3.209 0.000) 3.209 4.919 ( 0.000 4.650 0.000) 4.650 5.001 ( 0.000 -1.109 0.000) 1.109 5.027 ( 0.000 -1.505 0.000) 1.505 5.058 ( 0.000 -1.971 0.000) 1.971 5.159 ( 0.000 2.276 0.000) 2.276 5.206 ( 0.000 -0.306 0.000) 0.306 5.278 ( 0.000 -1.041 0.000) 1.041 5.290 ( 0.000 -1.801 0.000) 1.801 5.421 ( 0.000 1.566 0.000) 1.566 5.462 ( 0.000 -0.668 0.000) 0.668 5.542 ( 0.000 0.764 0.000) 0.764 5.575 ( 0.000 -5.553 0.000) 5.553 5.603 ( 0.000 1.157 0.000) 1.157 5.805 ( 0.000 0.033 0.000) 0.033 5.849 ( 0.000 2.438 0.000) 2.438 5.892 ( 0.000 2.866 0.000) 2.866 6.131 ( 0.000 -2.417 0.000) 2.417 6.176 ( 0.000 -2.882 0.000) 2.882 6.263 ( 0.000 1.263 0.000) 1.263 6.480 ( 0.000 -1.593 0.000) 1.593 6.525 ( 0.000 -6.449 0.000) 6.449 6.578 ( 0.000 0.898 0.000) 0.898 6.657 ( 0.000 -0.636 0.000) 0.636 6.821 ( 0.000 -3.399 0.000) 3.399 7.079 ( 0.000 -1.573 0.000) 1.573 7.182 ( 0.000 -3.684 0.000) 3.684 7.385 ( 0.000 1.826 0.000) 1.826 7.413 ( 0.000 0.874 0.000) 0.874 7.511 ( 0.000 -1.063 0.000) 1.063 7.615 ( 0.000 2.775 0.000) 2.775 7.621 ( 0.000 0.459 0.000) 0.459 7.746 ( 0.000 -4.060 0.000) 4.060 7.848 ( 0.000 -2.615 0.000) 2.615 7.871 ( 0.000 0.636 0.000) 0.636 8.112 ( 0.000 1.166 0.000) 1.166 8.157 ( 0.000 3.308 0.000) 3.308 9.024 ( 0.000 8.829 0.000) 8.829 9.078 ( 0.000 0.496 0.000) 0.496 9.089 ( 0.000 -4.017 0.000) 4.017 9.368 ( 0.000 6.641 0.000) 6.641 9.398 ( 0.000 -1.237 0.000) 1.237 9.438 ( 0.000 -4.380 0.000) 4.380 9.448 ( 0.000 -2.697 0.000) 2.697 9.720 ( 0.000 4.855 0.000) 4.855 10.448 ( 0.000 2.863 0.000) 2.863 10.822 ( 0.000 0.496 0.000) 0.496 10.944 ( 0.000 -0.616 0.000) 0.616 11.212 ( 0.000 -0.932 0.000) 0.932 11.297 ( 0.000 -1.345 0.000) 1.345 11.344 ( 0.000 -6.059 0.000) 6.059 11.348 ( 0.000 -1.147 0.000) 1.147 11.543 ( 0.000 -3.491 0.000) 3.491 11.631 ( 0.000 -0.545 0.000) 0.545 11.654 ( 0.000 -5.467 0.000) 5.467 11.697 ( 0.000 -4.962 0.000) 4.962 11.874 ( 0.000 -1.913 0.000) 1.913 12.122 ( 0.000 -2.591 0.000) 2.591 12.290 ( 0.000 -7.586 0.000) 7.586 12.435 ( 0.000 -2.213 0.000) 2.213 12.537 ( 0.000 -5.189 0.000) 5.189 12.785 ( 0.000 -0.427 0.000) 0.427 12.787 ( 0.000 0.226 0.000) 0.226 13.201 ( 0.000 -2.307 0.000) 2.307 13.265 ( 0.000 -0.269 0.000) 0.269 13.790 ( 0.000 0.786 0.000) 0.786 13.839 ( 0.000 0.180 0.000) 0.180 13.951 ( 0.000 6.343 0.000) 6.343 13.977 ( 0.000 4.590 0.000) 4.590 14.415 ( 0.000 0.438 0.000) 0.438 14.421 ( 0.000 -0.753 0.000) 0.753 14.519 ( 0.000 -0.352 0.000) 0.352 14.644 ( 0.000 -4.126 0.000) 4.126 15.226 ( 0.000 2.392 0.000) 2.392 15.249 ( 0.000 3.067 0.000) 3.067 15.301 ( 0.000 4.444 0.000) 4.444 15.329 ( 0.000 1.576 0.000) 1.576 16.085 ( 0.000 0.656 0.000) 0.656 16.151 ( 0.000 -0.710 0.000) 0.710 16.348 ( 0.000 0.272 0.000) 0.272 16.374 ( 0.000 -2.691 0.000) 2.691 16.388 ( 0.000 -1.467 0.000) 1.467 16.434 ( 0.000 0.336 0.000) 0.336 16.899 ( 0.000 -2.679 0.000) 2.679 16.910 ( 0.000 -2.856 0.000) 2.856 17.648 ( 0.000 -2.527 0.000) 2.527 17.662 ( 0.000 -2.574 0.000) 2.574 17.856 ( 0.000 3.940 0.000) 3.940 17.900 ( 0.000 -3.029 0.000) 3.029 18.050 ( 0.000 -4.468 0.000) 4.468 18.158 ( 0.000 2.017 0.000) 2.017 18.231 ( 0.000 3.956 0.000) 3.956 18.512 ( 0.000 -0.412 0.000) 0.412 19.442 ( 0.000 1.540 0.000) 1.540 19.476 ( 0.000 0.934 0.000) 0.934 19.750 ( 0.000 1.102 0.000) 1.102 19.761 ( 0.000 -0.085 0.000) 0.085 20.902 ( 0.000 -3.066 0.000) 3.066 20.907 ( 0.000 -2.299 0.000) 2.299 21.098 ( 0.000 1.488 0.000) 1.488 21.164 ( 0.000 0.614 0.000) 0.614 22.741 ( 0.000 -0.867 0.000) 0.867 23.186 ( 0.000 -8.110 0.000) 8.110 24.292 ( 0.000 -0.063 0.000) 0.063 24.324 ( 0.000 -2.733 0.000) 2.733 25.243 ( 0.000 1.248 0.000) 1.248 25.428 ( 0.000 0.231 0.000) 0.231 25.896 ( 0.000 -0.848 0.000) 0.848 26.062 ( 0.000 -1.084 0.000) 1.084 27.232 ( 0.000 0.968 0.000) 0.968 27.306 ( 0.000 -2.254 0.000) 2.254 27.374 ( 0.000 -2.467 0.000) 2.467 27.390 ( 0.000 -1.930 0.000) 1.930 27.430 ( 0.000 0.409 0.000) 0.409 27.470 ( 0.000 0.408 0.000) 0.408 27.517 ( 0.000 1.237 0.000) 1.237 27.556 ( 0.000 1.949 0.000) 1.949 27.698 ( 0.000 9.319 0.000) 9.319 27.743 ( 0.000 5.457 0.000) 5.457 28.098 ( 0.000 15.682 0.000) 15.682 28.531 ( 0.000 3.281 0.000) 3.281 29.011 ( 0.000 4.855 0.000) 4.855 29.052 ( 0.000 4.384 0.000) 4.384 29.123 ( 0.000 5.373 0.000) 5.373 29.717 ( 0.000 2.352 0.000) 2.352 29.733 ( 0.000 -1.817 0.000) 1.817 29.982 ( 0.000 1.673 0.000) 1.673 30.037 ( 0.000 0.907 0.000) 0.907 30.417 ( 0.000 -3.279 0.000) 3.279 30.951 ( 0.000 -7.091 0.000) 7.091 31.049 ( 0.000 0.083 0.000) 0.083 31.371 ( 0.000 -2.756 0.000) 2.756 31.484 ( 0.000 -6.075 0.000) 6.075 33.077 ( 0.000 -5.057 0.000) 5.057 33.106 ( 0.000 -4.824 0.000) 4.824 33.230 ( 0.000 -7.995 0.000) 7.995 33.284 ( 0.000 3.243 0.000) 3.243 33.460 ( 0.000 3.954 0.000) 3.954 33.708 ( 0.000 -8.673 0.000) 8.673 34.172 ( 0.000 -5.101 0.000) 5.101 34.408 ( 0.000 -5.360 0.000) 5.360 47.250 ( 0.000 1.692 0.000) 1.692 47.289 ( 0.000 0.975 0.000) 0.975 47.449 ( 0.000 1.605 0.000) 1.605 47.462 ( 0.000 1.409 0.000) 1.409 97.032 ( 0.000 7.280 0.000) 7.280 97.136 ( 0.000 2.999 0.000) 2.999 97.144 ( 0.000 4.055 0.000) 4.055 97.439 ( 0.000 1.619 0.000) 1.619 98.809 ( 0.000 -1.461 0.000) 1.461 98.858 ( 0.000 -1.327 0.000) 1.327 99.153 ( 0.000 -2.350 0.000) 2.350 99.351 ( 0.000 -4.778 0.000) 4.778 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 11.787 16.224 5.827) 20.884 0.681 ( 8.736 21.333 2.685) 23.208 1.372 ( 15.025 28.138 2.249) 31.978 1.520 ( 3.782 2.817 -16.712) 17.365 1.707 ( 10.258 3.376 -0.871) 10.835 1.883 ( 10.460 4.290 6.094) 12.843 1.903 ( 11.683 2.965 10.311) 15.863 2.113 ( -5.170 3.118 -1.891) 6.327 2.187 ( -5.866 4.145 -4.442) 8.445 2.253 ( 0.714 -1.151 -6.477) 6.617 2.396 ( 4.682 1.474 5.358) 7.267 2.568 ( -4.599 2.353 4.114) 6.604 2.579 ( -4.050 10.482 3.730) 11.840 2.779 ( 5.078 7.336 -1.322) 9.020 2.821 ( 0.497 -0.763 -5.321) 5.399 2.861 ( -4.384 -2.391 -4.582) 6.777 2.968 ( 0.097 -3.197 8.068) 8.679 3.021 ( -0.146 8.720 -0.801) 8.758 3.128 ( 11.514 4.800 -2.704) 12.764 3.253 ( 6.215 3.339 2.043) 7.345 3.275 ( 5.932 4.719 -7.238) 10.480 3.348 ( 1.851 5.954 -0.747) 6.279 3.410 ( 13.950 -3.331 -2.449) 14.550 3.580 ( 7.006 -0.578 6.640) 9.670 3.735 ( -0.838 -4.677 1.915) 5.123 3.832 ( -1.108 1.726 -0.794) 2.199 3.866 ( -2.931 4.696 -2.490) 6.070 3.886 ( -0.773 2.671 -0.152) 2.785 3.974 ( 0.646 4.098 0.799) 4.224 4.080 ( -1.000 0.845 1.106) 1.714 4.120 ( -3.614 1.818 0.756) 4.116 4.233 ( 4.502 -2.461 -3.009) 5.948 4.285 ( 1.023 3.845 3.054) 5.016 4.347 ( 3.554 -1.516 7.163) 8.138 4.396 ( 1.083 -0.233 -0.169) 1.121 4.453 ( -3.411 3.423 -1.876) 5.184 4.486 ( -0.210 -1.477 -0.205) 1.506 4.610 ( -2.291 -2.109 -1.006) 3.273 4.686 ( -4.760 1.962 -0.048) 5.149 4.808 ( -1.159 -1.150 0.304) 1.661 4.887 ( -5.213 -1.355 0.020) 5.386 4.987 ( 2.173 2.283 2.531) 4.042 5.034 ( 0.877 -1.621 0.987) 2.090 5.115 ( -6.666 0.212 -0.228) 6.673 5.127 ( -1.519 -3.003 0.728) 3.443 5.184 ( -5.411 -1.462 -3.764) 6.752 5.252 ( -1.040 4.244 -2.105) 4.851 5.279 ( -2.414 2.383 1.802) 3.841 5.410 ( 5.722 -2.653 -1.984) 6.612 5.446 ( 5.459 -4.242 -5.345) 8.739 5.560 ( 0.864 0.409 0.513) 1.085 5.625 ( 3.224 -0.986 5.614) 6.549 5.654 ( 3.666 -3.567 -1.686) 5.385 5.810 ( -0.649 2.332 -1.263) 2.730 5.822 ( 1.140 2.967 0.599) 3.235 5.892 ( -0.648 1.752 -3.817) 4.250 6.045 ( -4.659 0.200 -9.533) 10.613 6.184 ( -5.137 -1.047 -0.318) 5.253 6.236 ( -0.906 -2.376 5.347) 5.921 6.354 ( -7.556 -1.380 1.587) 7.843 6.430 ( -11.746 1.095 5.116) 12.859 6.553 ( -0.875 -4.001 -2.680) 4.894 6.666 ( -1.170 0.887 -3.949) 4.213 6.754 ( -7.116 -1.464 2.406) 7.653 7.037 ( -1.715 -0.858 -0.745) 2.057 7.247 ( 3.732 -3.839 1.579) 5.582 7.330 ( -6.356 0.569 -1.316) 6.516 7.404 ( 0.765 1.591 1.312) 2.200 7.511 ( 0.780 -1.051 0.455) 1.386 7.577 ( 1.216 3.394 -3.231) 4.841 7.668 ( 1.329 -2.897 -1.472) 3.511 7.740 ( -1.920 -4.792 1.837) 5.479 7.842 ( -1.619 -2.826 4.549) 5.594 7.937 ( 5.751 1.075 -0.084) 5.851 8.089 ( -2.026 0.638 -0.609) 2.210 8.154 ( -0.628 4.490 0.034) 4.534 9.008 ( -3.745 4.306 -0.178) 5.709 9.037 ( 0.667 6.790 0.321) 6.830 9.080 ( -0.107 1.812 -0.532) 1.892 9.228 ( -4.498 8.769 0.635) 9.876 9.414 ( -0.558 -0.769 -1.207) 1.536 9.448 ( 0.227 -1.856 -1.529) 2.415 9.512 ( 1.301 0.609 -0.431) 1.499 9.679 ( -2.571 -1.662 5.963) 6.703 10.428 ( -1.970 3.326 2.374) 4.536 10.752 ( -2.504 3.758 -3.112) 5.485 10.940 ( -1.007 0.117 2.335) 2.545 11.284 ( 2.638 -3.489 -2.242) 4.915 11.327 ( 4.461 -2.700 -1.061) 5.322 11.397 ( 4.884 -5.124 2.783) 7.606 11.448 ( 3.386 -6.628 -4.535) 8.716 11.505 ( -2.851 -3.856 -2.103) 5.236 11.626 ( -1.316 -5.442 -1.325) 5.754 11.650 ( -3.632 -4.024 0.027) 5.420 11.716 ( 4.907 -2.421 5.593) 7.824 11.904 ( 2.371 -1.833 -4.342) 5.276 12.130 ( 1.849 -4.229 -0.407) 4.634 12.284 ( 0.482 -6.655 -0.387) 6.684 12.462 ( 0.561 -4.247 4.088) 5.922 12.522 ( -1.218 -4.380 -1.146) 4.689 12.786 ( 1.568 -0.438 1.181) 2.011 12.829 ( 3.102 0.854 -1.081) 3.394 13.176 ( -2.942 -1.645 -0.291) 3.383 13.237 ( -2.551 -0.397 0.489) 2.628 13.745 ( -2.226 1.522 1.116) 2.919 13.838 ( -3.766 4.812 -0.529) 6.133 13.963 ( 5.625 0.056 0.184) 5.628 14.075 ( 5.530 4.592 0.174) 7.191 14.360 ( -3.540 -0.077 0.664) 3.603 14.433 ( -0.398 -0.624 0.505) 0.895 14.483 ( -3.110 0.075 0.352) 3.131 14.622 ( -3.087 -2.465 -0.730) 4.017 15.213 ( -0.796 1.701 0.326) 1.906 15.244 ( -0.563 3.277 0.683) 3.395 15.277 ( -1.143 4.457 -1.040) 4.717 15.318 ( -0.845 2.534 1.401) 3.017 16.045 ( -2.192 -1.365 -0.461) 2.623 16.116 ( -3.437 -1.579 -0.208) 3.788 16.360 ( 0.478 0.478 0.586) 0.895 16.391 ( -1.694 1.274 -1.267) 2.469 16.450 ( 5.067 -1.412 0.307) 5.269 16.491 ( 7.546 -1.461 -1.601) 7.851 16.912 ( 1.204 -2.737 0.052) 2.991 16.933 ( 2.081 -2.983 0.305) 3.650 17.594 ( -3.022 -2.457 0.504) 3.927 17.694 ( -9.075 5.891 -0.636) 10.837 17.774 ( 7.488 -4.237 0.035) 8.603 17.869 ( -1.810 -5.123 -1.091) 5.542 18.105 ( 2.536 -5.723 0.308) 6.267 18.144 ( -1.793 5.011 6.006) 8.025 18.226 ( 0.004 4.172 -2.805) 5.027 18.385 ( -6.723 3.321 -1.405) 7.629 19.503 ( 2.601 -0.459 0.788) 2.756 19.648 ( 8.226 -6.101 -2.870) 10.636 19.772 ( 2.035 1.236 0.325) 2.403 19.811 ( 4.657 -1.593 -1.578) 5.169 20.897 ( 0.671 -1.234 -0.436) 1.471 20.961 ( 2.652 -6.277 -0.236) 6.819 21.126 ( 1.841 0.456 0.892) 2.096 21.165 ( 0.090 0.560 0.099) 0.576 22.749 ( 0.819 -1.423 -3.438) 3.810 23.136 ( -4.320 -5.867 2.207) 7.613 24.285 ( -0.502 -0.485 0.217) 0.731 24.325 ( -0.259 -2.391 -0.176) 2.412 25.247 ( 0.381 1.097 0.054) 1.163 25.423 ( -0.393 0.338 -0.887) 1.027 25.894 ( 0.591 -0.086 1.427) 1.547 26.056 ( -0.581 -1.256 -1.316) 1.910 27.240 ( 0.705 1.092 1.768) 2.194 27.294 ( -1.214 -1.616 -1.581) 2.566 27.364 ( -1.246 -2.710 0.292) 2.997 27.369 ( -1.511 -1.789 0.087) 2.343 27.415 ( 0.299 -0.121 -2.159) 2.183 27.498 ( -0.797 2.307 1.885) 3.084 27.507 ( 1.983 1.326 -0.364) 2.414 27.585 ( 1.618 1.494 0.308) 2.224 27.697 ( 0.040 9.516 -0.342) 9.522 27.743 ( -0.313 5.327 0.313) 5.345 28.087 ( -1.142 14.999 2.005) 15.176 28.332 ( -12.508 14.928 -1.698) 19.550 29.025 ( 1.019 4.913 0.013) 5.018 29.079 ( 2.784 3.146 -0.278) 4.210 29.191 ( 5.579 4.800 -0.915) 7.417 29.405 ( -9.016 11.893 -13.723) 20.275 29.866 ( 0.122 -2.464 20.132) 20.283 30.009 ( 2.015 0.370 4.409) 4.862 30.087 ( 3.163 2.099 3.592) 5.227 30.361 ( -8.476 -2.393 2.343) 9.114 30.553 ( -18.272 11.870 0.928) 21.809 30.887 ( -6.411 -7.223 -6.155) 11.453 31.301 ( 4.736 -8.007 0.526) 9.317 31.725 ( 1.670 0.066 -0.924) 1.910 33.057 ( -2.418 -4.741 2.322) 5.807 33.106 ( -3.236 -3.425 0.006) 4.711 33.254 ( 1.879 -5.645 -2.284) 6.373 33.397 ( 0.951 -4.252 -1.205) 4.521 33.569 ( 11.507 -6.200 1.786) 13.193 34.002 ( 13.537 -17.969 -3.370) 22.748 34.241 ( 8.158 -9.579 0.956) 12.618 34.391 ( -1.080 -7.735 -5.736) 9.690 47.255 ( 0.379 1.206 0.141) 1.272 47.287 ( -0.168 1.313 -0.027) 1.324 47.449 ( 0.051 1.586 0.027) 1.587 47.465 ( 0.246 1.386 0.025) 1.408 97.029 ( -0.229 6.970 0.124) 6.975 97.136 ( -0.116 3.387 0.037) 3.390 97.147 ( 0.014 3.719 -0.235) 3.726 97.210 ( -9.409 12.396 -2.092) 15.703 98.791 ( -1.032 -1.100 -0.609) 1.627 98.854 ( -0.138 -1.473 -0.140) 1.486 99.379 ( 9.248 -7.221 -3.116) 12.140 99.661 ( 19.232 -23.009 12.661) 32.551 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 14.889 11.739 4.565) 19.502 0.983 ( 18.601 5.717 5.470) 20.213 1.526 ( 5.060 3.679 -3.321) 7.083 1.641 ( 9.492 1.905 -13.094) 16.284 1.859 ( -9.911 7.733 -1.926) 12.718 1.904 ( -4.854 8.309 5.391) 11.030 1.977 ( -3.495 5.381 -3.206) 7.173 2.095 ( 4.658 7.648 -8.290) 12.203 2.177 ( 3.336 -0.401 10.572) 11.093 2.270 ( -7.017 8.945 1.514) 11.469 2.313 ( 2.775 0.202 7.582) 8.076 2.576 ( 5.475 6.109 2.184) 8.489 2.688 ( 2.708 4.034 1.677) 5.140 2.742 ( -1.902 -2.840 0.266) 3.428 2.801 ( -2.186 2.716 -3.343) 4.830 2.923 ( 11.402 0.233 -4.351) 12.206 3.005 ( -0.309 0.522 0.447) 0.754 3.096 ( 10.161 4.902 1.267) 11.353 3.294 ( 3.185 2.054 -4.537) 5.912 3.328 ( 1.746 7.367 3.783) 8.463 3.452 ( 13.874 -2.204 0.424) 14.054 3.539 ( 13.233 -0.230 -3.431) 13.673 3.669 ( 5.010 -1.552 3.180) 6.133 3.682 ( 6.482 -1.168 -5.617) 8.656 3.729 ( 8.602 -2.167 -1.118) 8.941 3.811 ( 0.277 -0.018 -2.436) 2.451 3.853 ( 1.223 1.717 3.043) 3.702 3.935 ( 1.247 0.645 0.429) 1.468 4.010 ( 1.573 2.476 0.939) 3.080 4.035 ( -1.664 1.776 0.868) 2.584 4.099 ( 0.852 2.073 1.540) 2.719 4.206 ( -4.898 -5.139 0.675) 7.131 4.283 ( -1.591 2.414 -1.035) 3.070 4.390 ( 0.080 1.731 4.452) 4.778 4.419 ( 0.355 0.914 0.463) 1.085 4.439 ( -5.866 -0.312 1.116) 5.980 4.466 ( -1.538 5.179 0.141) 5.404 4.548 ( -1.884 1.703 -5.389) 5.958 4.636 ( -2.008 5.669 8.552) 10.455 4.726 ( -4.669 -0.907 -2.529) 5.387 4.743 ( -7.509 0.050 -4.339) 8.672 4.932 ( -6.747 -1.741 2.414) 7.374 4.991 ( -5.142 0.258 -0.196) 5.153 5.031 ( 0.513 -0.859 1.259) 1.608 5.063 ( -1.382 -1.724 -0.024) 2.210 5.146 ( 0.105 3.152 -0.302) 3.168 5.199 ( -5.119 1.059 0.382) 5.241 5.348 ( 8.687 -0.589 -5.439) 10.266 5.516 ( 2.024 -3.538 -2.109) 4.589 5.540 ( 5.031 -2.847 0.368) 5.793 5.565 ( 0.014 -1.607 3.374) 3.737 5.711 ( 2.960 -0.168 -2.257) 3.726 5.738 ( 4.572 -1.733 0.658) 4.934 5.811 ( 1.839 1.603 -0.960) 2.621 5.842 ( -0.509 2.672 -1.023) 2.906 5.879 ( -0.266 0.573 0.539) 0.831 5.965 ( -0.940 0.042 -2.732) 2.889 6.096 ( -1.815 0.083 -2.430) 3.034 6.148 ( -8.299 -0.693 6.983) 10.868 6.234 ( -5.250 0.629 -1.397) 5.469 6.270 ( -3.349 -3.795 -1.151) 5.190 6.465 ( -7.240 -2.025 -1.890) 7.752 6.581 ( -8.740 0.255 1.516) 8.874 6.595 ( -6.652 2.591 2.728) 7.642 7.004 ( -1.605 0.499 -0.551) 1.769 7.189 ( -6.243 0.104 0.699) 6.283 7.314 ( 2.252 -3.237 -2.254) 4.542 7.442 ( 3.312 0.332 2.737) 4.309 7.542 ( 1.730 0.330 0.272) 1.782 7.645 ( 4.971 -0.683 -3.488) 6.112 7.653 ( -3.031 -2.037 -3.624) 5.145 7.704 ( -0.660 -4.482 0.740) 4.590 7.808 ( -2.663 -3.067 5.567) 6.891 8.040 ( 3.868 2.461 1.362) 4.783 8.058 ( -0.435 -0.830 -0.876) 1.283 8.128 ( -1.870 5.615 0.106) 5.919 8.977 ( -0.276 3.930 1.001) 4.065 9.050 ( 0.774 3.481 -0.430) 3.592 9.083 ( 0.380 4.823 -0.379) 4.853 9.159 ( -3.276 8.195 0.230) 8.828 9.410 ( 0.528 0.201 -0.309) 0.644 9.451 ( 0.216 -1.238 -1.036) 1.629 9.489 ( -2.136 4.169 -3.264) 5.710 9.666 ( -0.253 -6.809 4.090) 7.947 10.399 ( -1.275 4.084 2.259) 4.838 10.723 ( -0.184 3.533 -4.089) 5.407 10.919 ( -1.514 1.147 3.303) 3.810 11.330 ( 1.918 -3.414 0.499) 3.948 11.390 ( -1.958 -1.697 -2.582) 3.658 11.425 ( 3.288 -3.564 -0.091) 4.850 11.491 ( 0.844 -5.668 -1.381) 5.895 11.506 ( 2.819 -4.558 -0.370) 5.372 11.586 ( -2.112 -6.282 -0.611) 6.656 11.597 ( -1.355 -4.916 0.592) 5.134 11.782 ( 1.058 -0.235 3.220) 3.397 11.936 ( 1.717 -2.877 -2.984) 4.487 12.179 ( 2.310 -7.560 -0.375) 7.914 12.309 ( 1.913 -5.411 0.428) 5.756 12.460 ( -1.010 -4.091 2.183) 4.746 12.494 ( -1.254 -3.424 -1.292) 3.868 12.843 ( 3.778 -0.700 0.921) 3.952 12.894 ( 3.306 0.840 -0.516) 3.450 13.099 ( -4.249 -0.437 -0.624) 4.317 13.175 ( -3.770 -0.241 0.663) 3.835 13.718 ( -0.874 2.900 0.899) 3.160 13.773 ( -2.370 4.974 -0.450) 5.528 14.065 ( 4.061 -0.316 -0.895) 4.170 14.164 ( 3.438 2.413 1.494) 4.459 14.311 ( -1.365 -0.285 -0.661) 1.543 14.410 ( -1.585 -0.370 0.226) 1.643 14.433 ( -1.674 0.611 0.342) 1.815 14.538 ( -4.718 0.855 -0.449) 4.816 15.194 ( -1.198 2.135 0.101) 2.450 15.243 ( 0.243 2.790 1.280) 3.080 15.267 ( 0.358 3.102 -1.364) 3.407 15.304 ( -0.914 1.959 0.740) 2.285 16.011 ( -1.330 -2.844 -0.856) 3.254 16.055 ( -2.329 -1.508 0.597) 2.838 16.354 ( -1.120 1.099 -1.140) 1.939 16.371 ( 0.193 1.100 0.693) 1.314 16.542 ( 3.681 -1.343 0.346) 3.934 16.609 ( 4.365 -0.532 -0.852) 4.479 16.937 ( 1.199 -2.995 0.036) 3.226 16.975 ( 1.797 -2.895 0.245) 3.416 17.549 ( -1.346 -0.767 0.161) 1.558 17.581 ( -3.266 1.737 0.040) 3.700 17.839 ( -0.697 -3.717 -1.007) 3.913 17.888 ( 2.230 -2.799 0.640) 3.635 18.085 ( -0.756 -0.415 3.085) 3.203 18.175 ( 2.547 -1.952 -2.379) 3.995 18.219 ( -1.019 2.138 0.752) 2.485 18.299 ( -2.365 1.626 -1.106) 3.076 19.545 ( 1.411 -1.503 0.553) 2.134 19.728 ( 2.165 -3.380 -1.051) 4.149 19.818 ( 2.099 1.329 0.523) 2.539 19.875 ( 1.930 -0.324 -1.239) 2.316 20.914 ( 0.968 -0.963 -0.347) 1.409 20.995 ( 1.083 -5.974 -0.131) 6.072 21.150 ( 0.794 0.525 -0.307) 1.000 21.166 ( -0.139 0.594 0.599) 0.855 22.755 ( 0.395 -1.473 -2.061) 2.564 23.061 ( -3.294 -3.957 1.930) 5.498 24.278 ( -0.217 -0.664 0.327) 0.771 24.311 ( -0.915 -1.997 -0.228) 2.209 25.256 ( 0.474 0.814 0.170) 0.958 25.414 ( -0.299 0.428 -0.853) 1.000 25.924 ( 1.668 -1.216 1.735) 2.696 26.039 ( -0.728 -1.216 -1.243) 1.885 27.261 ( -0.146 -0.749 0.114) 0.772 27.268 ( 0.252 0.601 0.659) 0.927 27.330 ( -1.523 -0.721 -0.650) 1.806 27.347 ( -1.331 -1.696 -0.075) 2.158 27.426 ( 0.753 -2.721 -1.320) 3.116 27.488 ( -0.373 3.448 1.151) 3.655 27.540 ( 1.206 0.865 -0.040) 1.485 27.611 ( 1.095 1.991 0.402) 2.307 27.699 ( 0.167 9.572 -0.074) 9.574 27.727 ( -1.242 6.981 -0.116) 7.092 28.077 ( 0.157 13.024 1.175) 13.078 28.169 ( -5.078 13.721 -0.639) 14.644 29.050 ( 1.386 4.742 -0.129) 4.942 29.129 ( 1.964 4.205 -0.626) 4.683 29.266 ( 1.254 4.352 -2.928) 5.393 29.347 ( 3.017 7.355 0.389) 7.959 29.884 ( -0.414 -0.772 7.860) 7.909 30.054 ( 0.597 -0.691 1.045) 1.387 30.113 ( -10.335 1.630 2.654) 10.794 30.160 ( 3.212 2.453 1.635) 4.360 30.396 ( -4.274 1.901 -2.642) 5.372 30.802 ( -1.943 -7.454 -3.767) 8.575 31.382 ( 3.870 -2.834 -0.631) 4.838 31.672 ( -5.293 -1.226 -0.229) 5.438 33.021 ( -0.810 -4.543 -0.045) 4.615 33.074 ( -0.917 -4.297 1.067) 4.522 33.292 ( 2.348 -4.881 -0.917) 5.494 33.377 ( -1.721 -2.749 -1.119) 3.431 33.735 ( 4.882 -3.608 4.434) 7.517 34.120 ( 3.235 -9.736 1.341) 10.346 34.327 ( -1.907 -7.471 -1.346) 7.827 34.403 ( 4.352 -15.748 -5.396) 17.207 47.263 ( 0.421 1.195 -0.021) 1.267 47.282 ( -0.334 1.373 0.014) 1.413 47.451 ( 0.060 1.558 0.019) 1.559 47.470 ( 0.203 1.349 0.023) 1.365 97.029 ( 0.266 6.325 0.047) 6.331 97.091 ( -2.570 8.495 -0.645) 8.899 97.145 ( 0.343 3.469 -0.088) 3.487 97.157 ( -0.143 3.972 0.367) 3.991 98.785 ( 0.366 -1.140 -0.156) 1.208 98.851 ( -0.067 -1.470 -0.324) 1.507 99.528 ( 6.473 -6.910 -4.177) 10.348 99.885 ( 4.701 -18.439 6.657) 20.160 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 6.154 -0.000) 6.154 1.228 ( 0.000 -3.164 0.000) 3.164 1.559 ( 0.000 1.714 0.000) 1.714 1.693 ( -0.000 15.060 0.000) 15.060 1.713 ( 0.000 6.818 -0.000) 6.818 1.839 ( -0.000 3.118 0.000) 3.118 1.917 ( 0.000 7.059 -0.000) 7.059 2.083 ( 0.000 2.067 -0.000) 2.067 2.182 ( 0.000 -0.226 -0.000) 0.226 2.274 ( 0.000 5.691 0.000) 5.691 2.379 ( 0.000 15.086 0.000) 15.086 2.606 ( 0.000 2.165 0.000) 2.165 2.704 ( 0.000 -7.176 0.000) 7.176 2.720 ( 0.000 4.194 0.000) 4.194 2.798 ( 0.000 5.030 -0.000) 5.030 2.980 ( 0.000 0.233 0.000) 0.233 3.056 ( 0.000 -1.447 0.000) 1.447 3.250 ( 0.000 -2.046 -0.000) 2.046 3.336 ( 0.000 5.113 -0.000) 5.113 3.369 ( 0.000 1.761 0.000) 1.761 3.629 ( -0.000 -7.334 0.000) 7.334 3.644 ( 0.000 -2.224 -0.000) 2.224 3.731 ( -0.000 0.519 0.000) 0.519 3.743 ( 0.000 -0.953 -0.000) 0.953 3.805 ( 0.000 0.174 -0.000) 0.174 3.889 ( 0.000 2.527 -0.000) 2.527 3.896 ( 0.000 1.540 0.000) 1.540 3.914 ( 0.000 -1.371 0.000) 1.371 4.005 ( 0.000 -1.121 0.000) 1.121 4.086 ( 0.000 -0.284 -0.000) 0.284 4.126 ( 0.000 4.036 0.000) 4.036 4.189 ( 0.000 3.192 -0.000) 3.192 4.247 ( 0.000 4.377 0.000) 4.377 4.270 ( 0.000 0.023 -0.000) 0.023 4.302 ( 0.000 -3.009 -0.000) 3.009 4.405 ( 0.000 4.106 0.000) 4.106 4.476 ( 0.000 4.100 -0.000) 4.100 4.487 ( 0.000 4.017 0.000) 4.017 4.655 ( 0.000 3.620 -0.000) 3.620 4.664 ( 0.000 5.255 0.000) 5.255 4.703 ( 0.000 -1.481 -0.000) 1.481 4.872 ( 0.000 1.516 0.000) 1.516 4.944 ( 0.000 -2.219 0.000) 2.219 5.017 ( 0.000 -4.195 0.000) 4.195 5.027 ( 0.000 -0.562 -0.000) 0.562 5.141 ( 0.000 1.500 0.000) 1.500 5.169 ( 0.000 2.707 0.000) 2.707 5.489 ( 0.000 -0.591 -0.000) 0.591 5.508 ( 0.000 -4.969 0.000) 4.969 5.529 ( 0.000 -2.020 -0.000) 2.020 5.626 ( 0.000 -0.503 0.000) 0.503 5.700 ( 0.000 1.034 -0.000) 1.034 5.781 ( 0.000 0.288 0.000) 0.288 5.824 ( 0.000 4.547 0.000) 4.547 5.857 ( 0.000 -1.110 0.000) 1.110 5.882 ( 0.000 -2.660 -0.000) 2.660 5.990 ( -0.000 -2.004 0.000) 2.004 6.034 ( 0.000 -0.005 -0.000) 0.005 6.098 ( 0.000 -0.971 0.000) 0.971 6.211 ( -0.000 2.344 0.000) 2.344 6.231 ( 0.000 -6.113 -0.000) 6.113 6.353 ( 0.000 0.295 -0.000) 0.295 6.474 ( 0.000 2.956 0.000) 2.956 6.516 ( 0.000 2.686 -0.000) 2.686 6.987 ( 0.000 -0.015 0.000) 0.015 7.126 ( 0.000 0.398 0.000) 0.398 7.333 ( 0.000 -1.837 0.000) 1.837 7.497 ( 0.000 -1.986 0.000) 1.986 7.565 ( 0.000 0.971 0.000) 0.971 7.595 ( -0.000 -0.346 -0.000) 0.346 7.693 ( 0.000 -4.566 -0.000) 4.566 7.711 ( 0.000 -1.655 -0.000) 1.655 7.777 ( -0.000 -3.675 0.000) 3.675 8.054 ( 0.000 -0.430 -0.000) 0.430 8.083 ( 0.000 8.621 0.000) 8.621 8.104 ( -0.000 -0.797 -0.000) 0.797 8.977 ( 0.000 2.310 0.000) 2.310 9.067 ( 0.000 3.035 0.000) 3.035 9.084 ( -0.000 3.847 0.000) 3.847 9.118 ( 0.000 10.202 0.000) 10.202 9.430 ( 0.000 2.595 0.000) 2.595 9.441 ( 0.000 -0.303 -0.000) 0.303 9.459 ( 0.000 0.780 -0.000) 0.780 9.669 ( 0.000 -6.759 0.000) 6.759 10.389 ( 0.000 4.385 0.000) 4.385 10.719 ( 0.000 3.465 0.000) 3.465 10.905 ( 0.000 1.638 -0.000) 1.638 11.340 ( 0.000 -1.590 0.000) 1.590 11.366 ( 0.000 -2.942 0.000) 2.942 11.479 ( 0.000 -0.387 -0.000) 0.387 11.495 ( 0.000 -6.641 0.000) 6.641 11.524 ( 0.000 -5.487 0.000) 5.487 11.546 ( 0.000 -7.347 -0.000) 7.347 11.606 ( 0.000 -5.767 0.000) 5.767 11.790 ( 0.000 1.092 -0.000) 1.092 11.952 ( 0.000 -3.501 -0.000) 3.501 12.200 ( 0.000 -8.572 0.000) 8.572 12.337 ( 0.000 -4.575 0.000) 4.575 12.447 ( 0.000 -4.054 0.000) 4.054 12.479 ( 0.000 -3.194 0.000) 3.194 12.909 ( 0.000 -0.262 0.000) 0.262 12.915 ( -0.000 -0.519 -0.000) 0.519 13.049 ( 0.000 1.146 0.000) 1.146 13.126 ( 0.000 -0.297 0.000) 0.297 13.711 ( 0.000 3.453 0.000) 3.453 13.750 ( 0.000 4.762 0.000) 4.762 14.099 ( 0.000 0.070 0.000) 0.070 14.211 ( 0.000 1.513 0.000) 1.513 14.291 ( 0.000 -2.216 -0.000) 2.216 14.393 ( 0.000 0.030 0.000) 0.030 14.430 ( 0.000 1.908 0.000) 1.908 14.475 ( 0.000 1.917 0.000) 1.917 15.180 ( 0.000 2.526 0.000) 2.526 15.246 ( 0.000 3.335 -0.000) 3.335 15.279 ( 0.000 2.902 -0.000) 2.902 15.289 ( 0.000 0.646 0.000) 0.646 15.995 ( 0.000 -3.017 0.000) 3.017 16.034 ( 0.000 -1.635 0.000) 1.635 16.342 ( 0.000 1.168 0.000) 1.168 16.374 ( 0.000 0.974 -0.000) 0.974 16.579 ( 0.000 -1.274 -0.000) 1.274 16.650 ( 0.000 -0.358 0.000) 0.358 16.950 ( 0.000 -3.153 0.000) 3.153 16.993 ( 0.000 -2.829 -0.000) 2.829 17.540 ( 0.000 0.446 0.000) 0.446 17.551 ( 0.000 -0.399 0.000) 0.399 17.840 ( 0.000 -1.903 0.000) 1.903 17.878 ( 0.000 -1.089 -0.000) 1.089 18.116 ( 0.000 -1.007 0.000) 1.007 18.177 ( 0.000 -1.367 0.000) 1.367 18.214 ( 0.000 -1.405 -0.000) 1.405 18.276 ( 0.000 0.918 -0.000) 0.918 19.559 ( 0.000 -1.843 -0.000) 1.843 19.747 ( 0.000 -2.915 0.000) 2.915 19.839 ( 0.000 1.313 0.000) 1.313 19.890 ( 0.000 0.785 0.000) 0.785 20.924 ( 0.000 -0.848 -0.000) 0.848 21.005 ( 0.000 -5.726 0.000) 5.726 21.161 ( 0.000 0.202 -0.000) 0.202 21.161 ( -0.000 1.059 0.000) 1.059 22.757 ( 0.000 -1.426 -0.000) 1.426 23.030 ( 0.000 -3.279 0.000) 3.279 24.277 ( 0.000 -0.515 0.000) 0.515 24.300 ( 0.000 -1.943 -0.000) 1.943 25.262 ( 0.000 0.699 -0.000) 0.699 25.410 ( 0.000 0.422 0.000) 0.422 25.944 ( 0.000 -1.813 0.000) 1.813 26.030 ( 0.000 -1.186 -0.000) 1.186 27.250 ( 0.000 -1.030 0.000) 1.030 27.287 ( 0.000 0.200 -0.000) 0.200 27.314 ( 0.000 0.331 -0.000) 0.331 27.327 ( 0.000 -0.723 0.000) 0.723 27.432 ( 0.000 -3.930 -0.000) 3.930 27.486 ( 0.000 3.625 0.000) 3.625 27.552 ( 0.000 0.860 -0.000) 0.860 27.624 ( 0.000 1.560 0.000) 1.560 27.705 ( 0.000 7.855 -0.000) 7.855 27.707 ( 0.000 9.928 0.000) 9.928 28.099 ( -0.000 11.830 -0.000) 11.830 28.105 ( 0.000 12.555 0.000) 12.555 29.066 ( 0.000 4.670 0.000) 4.670 29.146 ( 0.000 5.315 0.000) 5.315 29.272 ( 0.000 2.989 0.000) 2.989 29.396 ( 0.000 6.733 -0.000) 6.733 29.886 ( 0.000 -0.230 0.000) 0.230 29.975 ( 0.000 1.027 -0.000) 1.027 30.087 ( 0.000 -1.857 -0.000) 1.857 30.218 ( 0.000 3.250 0.000) 3.250 30.335 ( 0.000 0.646 -0.000) 0.646 30.783 ( 0.000 -7.793 0.000) 7.793 31.435 ( 0.000 3.549 -0.000) 3.549 31.596 ( 0.000 -6.321 0.000) 6.321 33.016 ( 0.000 -4.713 0.000) 4.713 33.066 ( 0.000 -4.422 -0.000) 4.422 33.336 ( -0.000 -5.332 -0.000) 5.332 33.337 ( 0.000 -2.449 0.000) 2.449 33.783 ( 0.000 -1.776 -0.000) 1.776 34.161 ( 0.000 -5.932 0.000) 5.932 34.293 ( 0.000 -12.269 -0.000) 12.269 34.440 ( 0.000 -13.004 -0.000) 13.004 47.269 ( 0.000 1.464 0.000) 1.464 47.277 ( 0.000 1.120 0.000) 1.120 47.451 ( 0.000 1.548 0.000) 1.548 47.472 ( 0.000 1.335 0.000) 1.335 97.035 ( 0.000 6.069 0.000) 6.069 97.065 ( 0.000 7.593 -0.000) 7.593 97.151 ( 0.000 4.104 -0.000) 4.104 97.155 ( 0.000 2.825 0.000) 2.825 98.791 ( 0.000 -1.284 0.000) 1.284 98.850 ( 0.000 -1.445 0.000) 1.445 99.589 ( 0.000 -6.835 0.000) 6.835 99.930 ( 0.000 -16.067 0.000) 16.067 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 26.217 0.000) 26.217 1.198 ( 0.000 26.791 0.000) 26.791 1.556 ( 0.000 1.012 0.000) 1.012 1.742 ( 0.000 12.730 0.000) 12.730 1.872 ( 0.000 9.157 0.000) 9.157 1.879 ( 0.000 8.161 0.000) 8.161 2.021 ( 0.000 25.642 0.000) 25.642 2.256 ( 0.000 2.202 0.000) 2.202 2.269 ( 0.000 5.722 0.000) 5.722 2.339 ( 0.000 14.387 0.000) 14.387 2.402 ( 0.000 5.654 0.000) 5.654 2.642 ( 0.000 1.792 0.000) 1.792 2.745 ( 0.000 3.562 0.000) 3.562 2.776 ( 0.000 3.026 0.000) 3.026 2.889 ( 0.000 2.210 0.000) 2.210 2.921 ( 0.000 -1.596 0.000) 1.596 3.013 ( 0.000 1.194 0.000) 1.194 3.147 ( 0.000 6.536 0.000) 6.536 3.188 ( 0.000 7.126 0.000) 7.126 3.258 ( 0.000 2.293 0.000) 2.293 3.304 ( 0.000 12.327 0.000) 12.327 3.387 ( 0.000 10.130 0.000) 10.130 3.517 ( 0.000 1.227 0.000) 1.227 3.532 ( 0.000 6.678 0.000) 6.678 3.660 ( 0.000 0.694 0.000) 0.694 3.853 ( 0.000 -3.295 0.000) 3.295 3.927 ( 0.000 5.393 0.000) 5.393 4.031 ( 0.000 -1.585 0.000) 1.585 4.037 ( 0.000 -0.903 0.000) 0.903 4.079 ( 0.000 2.682 0.000) 2.682 4.145 ( 0.000 0.322 0.000) 0.322 4.241 ( 0.000 -3.091 0.000) 3.091 4.277 ( 0.000 6.125 0.000) 6.125 4.311 ( 0.000 -0.331 0.000) 0.331 4.319 ( 0.000 -2.645 0.000) 2.645 4.444 ( 0.000 -0.843 0.000) 0.843 4.585 ( 0.000 -0.165 0.000) 0.165 4.616 ( 0.000 3.982 0.000) 3.982 4.733 ( 0.000 -3.709 0.000) 3.709 4.737 ( 0.000 -0.170 0.000) 0.170 4.936 ( 0.000 -3.221 0.000) 3.221 4.976 ( 0.000 -1.342 0.000) 1.342 5.009 ( 0.000 0.416 0.000) 0.416 5.038 ( 0.000 0.536 0.000) 0.536 5.160 ( 0.000 -0.530 0.000) 0.530 5.261 ( 0.000 3.382 0.000) 3.382 5.278 ( 0.000 -0.480 0.000) 0.480 5.284 ( 0.000 1.558 0.000) 1.558 5.414 ( 0.000 -2.707 0.000) 2.707 5.457 ( 0.000 -4.925 0.000) 4.925 5.483 ( 0.000 4.455 0.000) 4.455 5.563 ( 0.000 -0.071 0.000) 0.071 5.615 ( 0.000 0.017 0.000) 0.017 5.805 ( 0.000 -0.573 0.000) 0.573 5.833 ( 0.000 -4.154 0.000) 4.154 5.938 ( 0.000 0.680 0.000) 0.680 6.077 ( 0.000 -2.182 0.000) 2.182 6.135 ( 0.000 0.308 0.000) 0.308 6.298 ( 0.000 2.142 0.000) 2.142 6.393 ( 0.000 -5.748 0.000) 5.748 6.469 ( 0.000 0.115 0.000) 0.115 6.586 ( 0.000 -0.103 0.000) 0.103 6.641 ( 0.000 -0.815 0.000) 0.815 6.735 ( 0.000 -4.396 0.000) 4.396 7.041 ( 0.000 -1.691 0.000) 1.691 7.119 ( 0.000 -2.340 0.000) 2.340 7.392 ( 0.000 -1.160 0.000) 1.160 7.405 ( 0.000 -2.043 0.000) 2.043 7.487 ( 0.000 -1.333 0.000) 1.333 7.610 ( 0.000 -2.991 0.000) 2.991 7.629 ( 0.000 -6.386 0.000) 6.386 7.682 ( 0.000 2.942 0.000) 2.942 7.831 ( 0.000 2.008 0.000) 2.008 7.882 ( 0.000 0.644 0.000) 0.644 8.138 ( 0.000 1.265 0.000) 1.265 8.231 ( 0.000 3.255 0.000) 3.255 8.998 ( 0.000 -4.431 0.000) 4.431 9.079 ( 0.000 -0.789 0.000) 0.789 9.213 ( 0.000 8.679 0.000) 8.679 9.307 ( 0.000 -5.715 0.000) 5.715 9.313 ( 0.000 -5.151 0.000) 5.151 9.401 ( 0.000 0.009 0.000) 0.009 9.617 ( 0.000 12.074 0.000) 12.074 9.827 ( 0.000 5.118 0.000) 5.118 10.520 ( 0.000 3.589 0.000) 3.589 10.838 ( 0.000 0.816 0.000) 0.816 10.920 ( 0.000 -1.912 0.000) 1.912 11.142 ( 0.000 -6.569 0.000) 6.569 11.193 ( 0.000 -8.125 0.000) 8.125 11.239 ( 0.000 -5.136 0.000) 5.136 11.320 ( 0.000 -0.770 0.000) 0.770 11.461 ( 0.000 -10.389 0.000) 10.389 11.484 ( 0.000 -1.387 0.000) 1.387 11.581 ( 0.000 -5.375 0.000) 5.375 11.640 ( 0.000 -0.281 0.000) 0.281 11.817 ( 0.000 -3.410 0.000) 3.410 12.061 ( 0.000 -3.020 0.000) 3.020 12.135 ( 0.000 -6.431 0.000) 6.431 12.359 ( 0.000 -5.608 0.000) 5.608 12.415 ( 0.000 -5.554 0.000) 5.554 12.796 ( 0.000 1.487 0.000) 1.487 12.808 ( 0.000 1.910 0.000) 1.910 13.146 ( 0.000 -2.715 0.000) 2.715 13.251 ( 0.000 -1.131 0.000) 1.131 13.827 ( 0.000 2.624 0.000) 2.624 13.863 ( 0.000 1.797 0.000) 1.797 14.067 ( 0.000 3.934 0.000) 3.934 14.085 ( 0.000 6.092 0.000) 6.092 14.416 ( 0.000 0.355 0.000) 0.355 14.425 ( 0.000 0.476 0.000) 0.476 14.510 ( 0.000 -0.525 0.000) 0.525 14.565 ( 0.000 -3.093 0.000) 3.093 15.289 ( 0.000 3.193 0.000) 3.193 15.316 ( 0.000 3.028 0.000) 3.028 15.366 ( 0.000 1.860 0.000) 1.860 15.376 ( 0.000 2.641 0.000) 2.641 16.105 ( 0.000 1.197 0.000) 1.197 16.142 ( 0.000 0.074 0.000) 0.074 16.312 ( 0.000 -3.026 0.000) 3.026 16.336 ( 0.000 -2.124 0.000) 2.124 16.372 ( 0.000 0.743 0.000) 0.743 16.444 ( 0.000 0.676 0.000) 0.676 16.820 ( 0.000 -4.716 0.000) 4.716 16.836 ( 0.000 -4.097 0.000) 4.097 17.599 ( 0.000 -1.867 0.000) 1.867 17.622 ( 0.000 -1.605 0.000) 1.605 17.775 ( 0.000 -5.280 0.000) 5.280 17.912 ( 0.000 -7.790 0.000) 7.790 17.998 ( 0.000 6.197 0.000) 6.197 18.219 ( 0.000 2.989 0.000) 2.989 18.300 ( 0.000 2.492 0.000) 2.492 18.494 ( 0.000 -1.353 0.000) 1.353 19.483 ( 0.000 2.369 0.000) 2.369 19.504 ( 0.000 1.681 0.000) 1.681 19.755 ( 0.000 -0.650 0.000) 0.650 19.766 ( 0.000 0.140 0.000) 0.140 20.834 ( 0.000 -3.244 0.000) 3.244 20.853 ( 0.000 -2.745 0.000) 2.745 21.121 ( 0.000 0.658 0.000) 0.658 21.169 ( 0.000 -0.286 0.000) 0.286 22.718 ( 0.000 -1.307 0.000) 1.307 23.002 ( 0.000 -8.819 0.000) 8.819 24.269 ( 0.000 -2.313 0.000) 2.313 24.279 ( 0.000 -1.163 0.000) 1.163 25.278 ( 0.000 2.015 0.000) 2.015 25.435 ( 0.000 0.317 0.000) 0.317 25.884 ( 0.000 -0.225 0.000) 0.225 26.032 ( 0.000 -1.743 0.000) 1.743 27.233 ( 0.000 -0.746 0.000) 0.746 27.264 ( 0.000 -1.901 0.000) 1.901 27.324 ( 0.000 -1.995 0.000) 1.995 27.346 ( 0.000 -2.255 0.000) 2.255 27.449 ( 0.000 1.312 0.000) 1.312 27.480 ( 0.000 0.610 0.000) 0.610 27.527 ( 0.000 -0.094 0.000) 0.094 27.601 ( 0.000 1.861 0.000) 1.861 27.932 ( 0.000 11.211 0.000) 11.211 27.934 ( 0.000 12.634 0.000) 12.634 28.400 ( 0.000 12.510 0.000) 12.510 28.613 ( 0.000 4.101 0.000) 4.101 29.155 ( 0.000 8.814 0.000) 8.814 29.179 ( 0.000 7.709 0.000) 7.709 29.262 ( 0.000 7.580 0.000) 7.580 29.700 ( 0.000 -1.253 0.000) 1.253 29.775 ( 0.000 2.980 0.000) 2.980 30.016 ( 0.000 1.474 0.000) 1.474 30.049 ( 0.000 -0.493 0.000) 0.493 30.324 ( 0.000 -5.511 0.000) 5.511 30.796 ( 0.000 -5.873 0.000) 5.873 31.053 ( 0.000 0.435 0.000) 0.435 31.296 ( 0.000 -4.270 0.000) 4.270 31.363 ( 0.000 -5.070 0.000) 5.070 32.946 ( 0.000 -7.116 0.000) 7.116 32.989 ( 0.000 -6.608 0.000) 6.608 33.043 ( 0.000 -9.527 0.000) 9.527 33.351 ( 0.000 3.342 0.000) 3.342 33.469 ( 0.000 -13.740 0.000) 13.740 33.537 ( 0.000 3.652 0.000) 3.652 34.046 ( 0.000 -6.784 0.000) 6.784 34.260 ( 0.000 -8.485 0.000) 8.485 47.294 ( 0.000 2.416 0.000) 2.416 47.317 ( 0.000 1.696 0.000) 1.696 47.492 ( 0.000 2.477 0.000) 2.477 47.501 ( 0.000 2.258 0.000) 2.258 97.208 ( 0.000 8.755 0.000) 8.755 97.220 ( 0.000 5.187 0.000) 5.187 97.247 ( 0.000 5.527 0.000) 5.527 97.484 ( 0.000 2.608 0.000) 2.608 98.772 ( 0.000 -1.987 0.000) 1.987 98.821 ( 0.000 -2.127 0.000) 2.127 99.086 ( 0.000 -3.964 0.000) 3.964 99.225 ( 0.000 -6.940 0.000) 6.940 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 4.689 23.705 0.349) 24.167 1.176 ( -1.036 24.934 6.028) 25.673 1.581 ( 4.619 4.457 -15.076) 16.386 1.685 ( -2.880 10.720 -2.118) 11.301 1.969 ( 9.934 2.170 6.556) 12.099 2.009 ( 8.363 9.933 8.547) 15.546 2.098 ( 4.476 13.397 -3.423) 14.534 2.230 ( -3.036 4.196 -2.235) 5.640 2.262 ( -5.913 4.708 -1.604) 7.727 2.340 ( 4.301 14.537 1.462) 15.230 2.499 ( 6.589 7.801 2.745) 10.574 2.645 ( -2.468 6.402 3.555) 7.727 2.710 ( 0.933 0.484 -4.839) 4.952 2.745 ( -1.290 1.996 -0.351) 2.403 2.913 ( -1.335 1.058 2.546) 3.064 2.939 ( -0.829 5.464 1.802) 5.813 2.982 ( 6.149 6.451 -3.090) 9.433 3.186 ( 2.855 1.582 -2.412) 4.059 3.273 ( -3.114 4.644 -1.613) 5.819 3.298 ( 4.090 9.456 0.298) 10.307 3.384 ( 14.107 4.240 -1.336) 14.791 3.388 ( 4.000 5.610 0.021) 6.890 3.527 ( 4.360 5.620 0.669) 7.144 3.571 ( 0.909 1.347 0.968) 1.891 3.664 ( -0.696 1.709 3.536) 3.989 3.841 ( -0.194 -2.272 1.124) 2.542 3.942 ( -4.217 0.137 2.041) 4.687 3.946 ( 0.400 3.277 -1.125) 3.488 4.061 ( -0.979 2.248 -3.684) 4.426 4.068 ( 1.375 -1.755 -0.256) 2.244 4.089 ( -3.790 0.045 0.158) 3.794 4.239 ( -2.605 1.132 1.259) 3.108 4.312 ( 0.290 -1.141 -1.288) 1.745 4.331 ( 2.175 -1.060 2.719) 3.639 4.369 ( 4.741 -0.656 -0.633) 4.828 4.480 ( 4.045 1.655 -3.382) 5.527 4.561 ( -2.003 1.978 -3.002) 4.115 4.582 ( -1.498 2.636 7.082) 7.704 4.710 ( -1.170 0.057 -0.741) 1.386 4.764 ( 0.625 -2.334 3.306) 4.095 4.850 ( -4.743 -0.348 -0.292) 4.764 4.986 ( -0.830 -2.178 -1.604) 2.829 5.029 ( 1.557 0.513 2.143) 2.699 5.082 ( 1.983 -1.070 -4.265) 4.824 5.149 ( -9.738 0.738 1.963) 9.961 5.175 ( -1.878 1.818 -0.548) 2.671 5.295 ( 2.298 -1.503 2.788) 3.913 5.318 ( -0.275 1.310 -3.120) 3.395 5.368 ( 2.264 -0.208 0.928) 2.455 5.430 ( -1.423 3.020 -3.527) 4.856 5.550 ( 5.660 -3.551 0.766) 6.725 5.563 ( -1.008 -0.905 3.643) 3.887 5.646 ( 3.967 0.922 -2.281) 4.668 5.816 ( -0.644 -3.102 -2.541) 4.061 5.829 ( 1.325 -1.192 1.451) 2.298 5.921 ( -1.444 0.745 -1.333) 2.102 6.072 ( -1.142 1.959 -5.004) 5.494 6.104 ( -2.574 -2.710 2.369) 4.426 6.247 ( -4.835 1.121 -0.293) 4.972 6.306 ( -7.126 -2.581 3.425) 8.317 6.442 ( -8.069 -2.548 1.216) 8.549 6.497 ( -2.911 1.383 0.209) 3.229 6.669 ( 0.214 -0.930 -2.817) 2.974 6.718 ( -2.601 -1.803 0.373) 3.186 7.016 ( 0.066 -0.890 -0.451) 1.000 7.171 ( 2.501 -3.142 1.624) 4.332 7.326 ( -5.901 -1.331 -1.574) 6.251 7.406 ( 0.165 -1.342 1.506) 2.024 7.475 ( 0.091 -2.581 0.896) 2.734 7.612 ( 0.772 -3.761 -3.404) 5.131 7.628 ( -1.525 -2.486 1.125) 3.126 7.668 ( -0.332 3.177 -1.635) 3.589 7.774 ( -2.241 -3.755 3.319) 5.489 7.979 ( 4.738 2.924 0.121) 5.569 8.104 ( -1.934 0.882 -0.231) 2.138 8.251 ( 1.218 4.378 -0.159) 4.547 9.010 ( 0.911 -2.809 0.428) 2.984 9.074 ( -0.119 -0.651 -1.715) 1.839 9.197 ( -1.623 5.638 -1.039) 5.959 9.293 ( -0.081 0.984 4.859) 4.958 9.353 ( 1.762 -6.790 1.411) 7.155 9.410 ( 1.187 -1.686 -2.499) 3.240 9.610 ( -0.758 10.768 1.716) 10.930 9.762 ( -5.702 6.530 -2.648) 9.064 10.511 ( -0.909 4.145 1.402) 4.469 10.815 ( -1.029 2.091 -1.551) 2.800 10.934 ( 0.774 -0.811 -0.032) 1.121 11.190 ( 3.645 -6.358 -1.753) 7.536 11.203 ( 2.483 -8.715 1.275) 9.151 11.306 ( 4.455 -7.158 -0.182) 8.433 11.321 ( 0.286 -3.296 1.130) 3.496 11.419 ( -3.335 -4.904 -1.551) 6.130 11.470 ( -1.087 -6.108 -0.173) 6.207 11.552 ( -2.555 -4.442 -0.497) 5.149 11.694 ( 3.821 -0.831 3.865) 5.497 11.836 ( 1.845 -4.315 -2.727) 5.427 12.047 ( -1.047 -3.783 -1.474) 4.193 12.142 ( 0.973 -6.215 0.449) 6.307 12.363 ( 0.039 -5.767 0.851) 5.830 12.411 ( -0.438 -5.584 -0.138) 5.603 12.797 ( 1.423 1.633 -0.044) 2.166 12.854 ( 3.361 1.715 -0.278) 3.784 13.133 ( -1.583 -2.170 0.209) 2.695 13.224 ( -2.484 -0.950 -0.383) 2.687 13.798 ( -1.074 3.289 0.789) 3.549 13.913 ( 1.054 2.058 0.086) 2.314 14.012 ( -0.128 4.304 0.153) 4.308 14.162 ( 3.703 3.608 0.667) 5.212 14.368 ( -3.085 1.029 -0.446) 3.283 14.430 ( -0.598 0.010 -0.961) 1.132 14.482 ( -2.340 -0.204 0.121) 2.352 14.565 ( -0.491 -2.340 0.332) 2.414 15.268 ( -1.496 3.009 0.361) 3.380 15.316 ( -0.294 3.259 0.688) 3.344 15.360 ( -1.050 2.050 -1.429) 2.711 15.365 ( -0.534 3.215 0.642) 3.322 16.038 ( -4.104 0.382 -0.055) 4.122 16.091 ( -4.287 -0.686 0.579) 4.380 16.374 ( 0.538 0.522 0.149) 0.764 16.394 ( 3.614 -1.035 0.639) 3.813 16.418 ( 4.760 -1.625 0.277) 5.038 16.446 ( 3.867 -1.508 -2.390) 4.789 16.832 ( 0.942 -4.790 -0.101) 4.883 16.852 ( 1.642 -4.585 0.621) 4.910 17.554 ( -1.912 -1.464 0.038) 2.408 17.714 ( 6.411 -2.150 -0.099) 6.762 17.764 ( -0.246 -4.306 -0.680) 4.367 17.829 ( -10.752 6.246 -0.028) 12.434 17.971 ( 3.040 -6.720 0.307) 7.382 18.221 ( -2.455 2.816 4.339) 5.725 18.297 ( -0.195 2.444 -3.230) 4.055 18.415 ( -6.465 -0.122 -0.545) 6.489 19.505 ( 1.204 0.786 -0.391) 1.490 19.579 ( 5.821 -1.161 -0.082) 5.936 19.788 ( 2.539 -0.092 0.601) 2.610 19.796 ( 3.458 -0.494 -0.335) 3.509 20.850 ( 1.379 -3.271 0.148) 3.552 20.866 ( 1.275 -3.071 -0.391) 3.348 21.135 ( 1.111 0.257 0.717) 1.346 21.168 ( -0.033 -0.347 -0.348) 0.493 22.720 ( 0.233 -1.404 -0.580) 1.537 22.985 ( -1.638 -7.771 0.899) 7.993 24.259 ( -0.535 -1.781 -0.230) 1.874 24.282 ( -0.105 -1.654 0.078) 1.659 25.279 ( 0.125 1.924 -0.019) 1.928 25.431 ( -0.270 0.385 -0.487) 0.676 25.887 ( 0.377 -0.214 1.098) 1.181 26.024 ( -0.637 -1.734 -0.917) 2.062 27.243 ( 0.625 -1.014 0.590) 1.329 27.260 ( -0.043 -1.600 -0.309) 1.630 27.304 ( -1.613 -2.202 0.600) 2.795 27.337 ( -0.784 -1.287 0.310) 1.539 27.437 ( -0.531 1.706 -2.709) 3.245 27.505 ( 1.684 -0.139 0.887) 1.908 27.541 ( 1.039 0.390 1.102) 1.564 27.605 ( 0.409 1.085 -0.193) 1.175 27.925 ( -0.217 11.774 0.058) 11.777 27.948 ( 0.825 12.470 -0.043) 12.497 28.383 ( -1.607 12.467 0.990) 12.609 28.545 ( -5.920 7.361 -0.693) 9.472 29.163 ( 0.819 8.347 -0.012) 8.387 29.195 ( 2.097 7.436 0.192) 7.728 29.316 ( 4.467 6.791 -0.098) 8.129 29.572 ( -6.180 5.099 -9.153) 12.165 29.843 ( 1.855 0.234 10.503) 10.668 30.020 ( 0.633 0.540 2.034) 2.197 30.109 ( 4.665 -0.605 0.157) 4.706 30.267 ( -6.043 -5.922 -2.038) 8.703 30.736 ( -7.531 -0.695 1.264) 7.668 30.783 ( -17.558 4.871 -1.385) 18.274 31.185 ( 4.424 -3.654 0.327) 5.747 31.629 ( 6.262 -7.661 -0.515) 9.908 32.935 ( -1.535 -6.638 2.814) 7.371 32.979 ( -2.260 -7.928 0.456) 8.256 33.102 ( 4.901 -9.826 -5.072) 12.095 33.266 ( -1.273 -4.763 0.921) 5.016 33.544 ( 4.578 0.319 -0.219) 4.595 33.708 ( 12.220 -10.418 -0.586) 16.069 34.062 ( 1.561 -8.051 2.552) 8.589 34.228 ( -3.080 -8.626 -2.170) 9.413 47.294 ( 0.075 2.303 0.089) 2.306 47.319 ( 0.095 1.761 -0.097) 1.767 47.493 ( 0.024 2.468 0.020) 2.468 47.504 ( 0.190 2.220 0.009) 2.228 97.201 ( -0.661 8.626 0.144) 8.653 97.223 ( 0.261 5.247 0.078) 5.254 97.245 ( -0.307 5.413 0.208) 5.426 97.401 ( -6.128 6.707 -1.311) 9.179 98.761 ( -0.672 -1.642 -0.412) 1.821 98.816 ( -0.287 -2.074 0.171) 2.100 99.202 ( 8.454 -8.647 1.132) 12.146 99.337 ( 9.813 -11.327 0.949) 15.017 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 10.563 16.632 2.429) 19.852 1.219 ( 4.495 19.355 5.460) 20.607 1.666 ( 1.884 5.992 -1.716) 6.512 1.694 ( 8.153 7.679 -14.400) 18.243 1.999 ( -9.942 7.660 -5.617) 13.750 2.095 ( -6.179 2.279 3.370) 7.397 2.155 ( 5.462 9.715 2.106) 11.342 2.194 ( 1.815 1.847 8.622) 9.002 2.246 ( 0.154 7.161 -2.701) 7.655 2.382 ( 5.826 8.347 6.227) 11.933 2.505 ( -3.134 12.875 1.726) 13.362 2.640 ( -3.747 -0.908 -6.202) 7.303 2.723 ( 4.551 1.673 2.504) 5.457 2.811 ( 2.547 6.234 0.365) 6.744 2.892 ( -1.642 3.707 -0.422) 4.076 2.978 ( 8.584 5.216 -0.871) 10.082 3.037 ( -5.454 4.550 -2.661) 7.585 3.225 ( 0.701 0.154 -0.534) 0.894 3.281 ( 9.321 5.056 0.592) 10.621 3.371 ( 0.296 1.573 -0.038) 1.601 3.486 ( 3.972 2.070 -1.189) 4.634 3.596 ( 3.668 -0.858 3.182) 4.931 3.635 ( 9.725 1.894 -0.021) 9.908 3.689 ( 6.261 -0.074 1.090) 6.356 3.740 ( 13.513 4.767 -2.936) 14.627 3.824 ( -2.776 0.336 2.193) 3.554 3.916 ( 0.370 3.167 2.565) 4.092 3.926 ( -2.100 -3.538 3.112) 5.158 4.017 ( -0.657 1.805 -3.004) 3.565 4.044 ( -0.595 1.318 -2.354) 2.763 4.092 ( -0.432 -2.067 -0.007) 2.111 4.190 ( 0.360 2.150 -0.418) 2.219 4.282 ( -1.337 -0.393 -1.903) 2.359 4.391 ( 0.075 -1.190 1.846) 2.197 4.445 ( -0.908 -0.526 -0.788) 1.312 4.453 ( -1.558 -0.907 2.097) 2.766 4.568 ( -4.456 4.333 0.103) 6.217 4.595 ( 4.322 4.616 0.247) 6.328 4.679 ( 0.302 -2.645 -3.582) 4.463 4.747 ( -2.542 4.712 3.147) 6.211 4.808 ( 0.377 5.591 2.930) 6.324 4.914 ( -6.656 0.274 3.038) 7.322 5.000 ( -3.804 -0.234 -1.634) 4.147 5.029 ( -2.027 2.310 -1.093) 3.262 5.044 ( -4.687 -0.749 -3.032) 5.632 5.161 ( 1.510 -1.266 -1.315) 2.369 5.272 ( -3.074 5.321 -1.285) 6.278 5.341 ( 5.065 -1.343 2.562) 5.833 5.430 ( 0.893 -2.411 -4.288) 5.000 5.478 ( 3.796 -2.392 2.662) 5.217 5.567 ( 2.334 0.941 2.411) 3.485 5.687 ( 6.838 -2.212 -1.318) 7.307 5.720 ( 2.494 -0.295 -0.576) 2.576 5.796 ( -0.284 -3.046 0.257) 3.070 5.857 ( 1.680 -1.513 -1.167) 2.544 5.888 ( -2.038 0.884 0.258) 2.236 6.008 ( -4.313 3.219 -1.123) 5.498 6.059 ( -2.094 -1.792 -2.970) 4.051 6.132 ( -6.164 -1.001 0.513) 6.265 6.193 ( -2.824 -1.161 2.604) 4.013 6.269 ( -8.038 -0.715 0.407) 8.080 6.424 ( -5.553 -0.987 -0.467) 5.659 6.613 ( -3.807 2.488 -1.294) 4.728 6.659 ( -3.830 3.064 2.216) 5.382 7.009 ( -1.450 -0.073 -0.598) 1.570 7.184 ( -4.238 -0.858 2.718) 5.108 7.244 ( 1.927 -3.224 -4.172) 5.613 7.423 ( 1.457 -1.965 2.788) 3.709 7.512 ( 2.618 -4.483 -1.093) 5.306 7.582 ( -1.979 -1.451 1.871) 3.086 7.627 ( 0.708 -2.163 -1.897) 2.963 7.674 ( 0.684 0.820 -3.538) 3.695 7.739 ( -2.167 -3.145 4.061) 5.575 8.002 ( -1.187 -2.556 -0.380) 2.843 8.121 ( 2.610 4.097 0.532) 4.887 8.262 ( -0.018 6.307 -0.070) 6.307 9.027 ( 0.692 -1.010 0.573) 1.352 9.075 ( 0.708 0.284 -2.119) 2.252 9.157 ( -2.207 2.897 -0.513) 3.678 9.307 ( 0.325 5.499 3.361) 6.453 9.382 ( 1.015 -4.298 4.136) 6.050 9.432 ( 1.521 -4.908 -4.252) 6.670 9.598 ( -1.085 7.078 3.138) 7.818 9.641 ( -5.018 8.587 -4.293) 10.832 10.499 ( -0.469 4.953 1.301) 5.143 10.808 ( 0.517 4.193 -2.885) 5.115 10.941 ( -0.211 0.560 1.853) 1.947 11.237 ( 0.908 -7.008 -0.342) 7.075 11.264 ( 3.300 -9.839 0.591) 10.394 11.343 ( 1.438 -6.093 0.386) 6.272 11.351 ( -1.671 -5.510 -1.395) 5.924 11.377 ( 0.780 -6.616 -0.368) 6.672 11.460 ( 0.709 -5.429 1.136) 5.592 11.496 ( -2.628 -2.924 -1.262) 4.129 11.762 ( 2.179 -1.678 3.255) 4.262 11.860 ( 0.962 -4.926 -2.635) 5.668 12.032 ( -0.135 -5.729 -1.148) 5.844 12.173 ( 1.874 -7.000 0.702) 7.280 12.357 ( -0.742 -5.575 0.535) 5.649 12.399 ( -0.580 -5.298 -0.301) 5.338 12.849 ( 3.672 1.343 0.020) 3.910 12.918 ( 2.699 1.427 -0.247) 3.063 13.088 ( -2.493 -0.523 0.047) 2.547 13.165 ( -3.376 -0.678 -0.232) 3.451 13.792 ( 0.003 3.889 0.947) 4.002 13.881 ( -2.249 4.750 -0.574) 5.287 14.071 ( 3.785 0.862 -0.070) 3.883 14.206 ( 0.860 1.814 3.002) 3.611 14.314 ( -2.501 0.679 -3.150) 4.079 14.408 ( -1.133 0.057 -0.454) 1.222 14.452 ( -0.086 1.101 0.292) 1.142 14.541 ( -1.967 -0.279 0.416) 2.030 15.247 ( -0.734 2.849 0.382) 2.967 15.308 ( -0.459 2.752 1.344) 3.097 15.336 ( -0.842 2.689 -2.449) 3.733 15.357 ( -0.442 3.513 0.957) 3.668 15.976 ( -2.277 -0.473 -0.177) 2.332 16.022 ( -2.583 -1.376 0.534) 2.974 16.370 ( -0.699 0.876 -0.768) 1.358 16.402 ( 0.060 1.568 0.464) 1.636 16.504 ( 3.505 -2.333 0.661) 4.262 16.563 ( 5.105 -3.641 -1.350) 6.414 16.849 ( 0.747 -5.339 -0.108) 5.392 16.891 ( 1.831 -5.103 0.600) 5.455 17.534 ( -0.083 -0.538 -0.061) 0.548 17.648 ( -7.130 4.734 -0.052) 8.559 17.774 ( 2.121 -2.106 -0.588) 3.046 17.842 ( 4.910 -1.622 0.293) 5.179 18.035 ( 2.678 -4.502 2.265) 5.707 18.162 ( -2.174 0.722 -0.969) 2.487 18.250 ( -4.697 0.764 -0.332) 4.771 18.310 ( -3.520 -0.650 -0.514) 3.617 19.522 ( 0.629 -0.366 -0.330) 0.799 19.660 ( 2.549 -2.661 0.022) 3.684 19.839 ( 2.262 0.393 0.360) 2.324 19.865 ( 2.901 -0.943 -0.199) 3.057 20.878 ( 1.358 -2.975 0.073) 3.271 20.890 ( 0.987 -3.531 -0.264) 3.676 21.155 ( 0.715 -0.034 0.182) 0.739 21.167 ( -0.020 -0.453 0.019) 0.454 22.723 ( 0.203 -1.514 -0.503) 1.609 22.954 ( -1.500 -5.998 0.814) 6.236 24.253 ( -0.024 -1.625 -0.135) 1.631 24.273 ( -0.727 -1.582 0.000) 1.741 25.282 ( 0.224 1.702 0.034) 1.717 25.424 ( -0.279 0.499 -0.511) 0.767 25.902 ( 0.733 -0.745 1.224) 1.610 26.008 ( -0.690 -1.659 -0.901) 2.010 27.236 ( -0.764 -1.114 -0.544) 1.456 27.276 ( 0.553 -3.177 0.077) 3.225 27.281 ( -0.433 -1.030 0.765) 1.354 27.327 ( -0.062 0.438 1.370) 1.439 27.419 ( -0.824 1.435 -2.902) 3.341 27.535 ( 1.183 0.188 1.951) 2.290 27.558 ( 0.520 1.354 -0.557) 1.554 27.613 ( 0.382 -0.700 0.002) 0.798 27.923 ( -0.001 12.103 0.085) 12.103 27.960 ( 0.418 13.178 -0.088) 13.185 28.355 ( -1.176 12.156 0.958) 12.250 28.434 ( -4.623 10.997 -0.759) 11.953 29.185 ( 1.248 8.109 -0.356) 8.213 29.250 ( 2.989 7.023 0.951) 7.691 29.376 ( 0.522 5.680 -2.857) 6.379 29.510 ( 1.596 7.448 -0.920) 7.672 29.881 ( 0.757 0.601 5.175) 5.264 30.035 ( -0.424 -1.304 0.508) 1.462 30.098 ( -8.747 -2.886 -1.102) 9.276 30.197 ( 4.005 -0.468 2.328) 4.656 30.494 ( -8.298 7.662 -2.786) 11.633 30.679 ( -2.597 -2.580 -0.067) 3.661 31.303 ( 7.362 -4.193 -0.079) 8.472 31.614 ( -5.835 -4.397 -0.329) 7.313 32.906 ( -1.183 -6.120 1.214) 6.351 32.951 ( -0.695 -7.124 0.338) 7.166 33.153 ( 1.978 -9.127 -2.675) 9.715 33.265 ( -0.577 -7.165 1.063) 7.267 33.667 ( 6.595 -2.443 0.391) 7.044 33.882 ( 6.262 -12.063 1.382) 13.662 34.102 ( 0.174 -11.215 -3.124) 11.643 34.151 ( -2.745 -9.660 0.946) 10.087 47.299 ( 0.421 2.143 0.044) 2.185 47.317 ( -0.309 1.907 -0.064) 1.933 47.493 ( 0.037 2.448 0.019) 2.448 47.507 ( 0.164 2.160 0.007) 2.166 97.191 ( -0.246 8.434 0.139) 8.439 97.229 ( -0.069 5.610 0.413) 5.626 97.233 ( -0.531 5.178 -0.429) 5.223 97.309 ( -2.883 8.637 -0.406) 9.115 98.756 ( 0.124 -1.593 -0.186) 1.609 98.813 ( -0.069 -2.106 -0.053) 2.108 99.346 ( 6.046 -10.095 -1.736) 11.894 99.504 ( 5.708 -16.906 2.688) 18.045 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.000 10.479 -0.000) 10.479 1.286 ( -0.000 16.546 0.000) 16.546 1.678 ( 0.000 9.080 0.000) 9.080 1.781 ( 0.000 2.916 -0.000) 2.916 1.882 ( 0.000 7.881 -0.000) 7.881 2.061 ( -0.000 7.375 0.000) 7.375 2.103 ( 0.000 7.619 -0.000) 7.619 2.220 ( 0.000 5.555 0.000) 5.555 2.234 ( 0.000 13.590 0.000) 13.590 2.429 ( 0.000 5.116 -0.000) 5.116 2.546 ( 0.000 -2.263 0.000) 2.263 2.671 ( 0.000 3.646 -0.000) 3.646 2.737 ( -0.000 15.415 -0.000) 15.415 2.769 ( 0.000 0.350 0.000) 0.350 2.889 ( 0.000 2.177 0.000) 2.177 2.948 ( 0.000 -1.173 0.000) 1.173 3.090 ( 0.000 4.775 0.000) 4.775 3.240 ( 0.000 1.298 -0.000) 1.298 3.333 ( 0.000 -2.313 0.000) 2.313 3.421 ( 0.000 3.898 -0.000) 3.898 3.596 ( 0.000 -2.949 -0.000) 2.949 3.620 ( -0.000 1.936 0.000) 1.936 3.688 ( 0.000 -2.997 0.000) 2.997 3.742 ( 0.000 1.084 -0.000) 1.084 3.796 ( 0.000 -0.441 0.000) 0.441 3.906 ( -0.000 0.305 0.000) 0.305 3.906 ( 0.000 -0.304 -0.000) 0.304 3.945 ( 0.000 1.521 0.000) 1.521 4.018 ( 0.000 -2.937 -0.000) 2.937 4.067 ( 0.000 -8.225 -0.000) 8.225 4.079 ( 0.000 5.472 0.000) 5.472 4.261 ( -0.000 -0.617 0.000) 0.617 4.283 ( 0.000 2.069 -0.000) 2.069 4.346 ( -0.000 8.230 -0.000) 8.230 4.359 ( 0.000 6.604 0.000) 6.604 4.431 ( 0.000 -0.332 0.000) 0.332 4.493 ( 0.000 -1.082 0.000) 1.082 4.645 ( 0.000 6.708 0.000) 6.708 4.689 ( 0.000 1.933 -0.000) 1.933 4.764 ( -0.000 3.078 0.000) 3.078 4.778 ( 0.000 5.690 -0.000) 5.690 4.900 ( 0.000 -0.528 0.000) 0.528 4.911 ( -0.000 2.826 -0.000) 2.826 4.975 ( 0.000 0.931 0.000) 0.931 5.018 ( 0.000 -0.189 -0.000) 0.189 5.172 ( 0.000 1.547 0.000) 1.547 5.248 ( 0.000 4.126 0.000) 4.126 5.429 ( 0.000 -4.878 0.000) 4.878 5.434 ( -0.000 -1.500 -0.000) 1.500 5.487 ( 0.000 -1.744 -0.000) 1.744 5.630 ( 0.000 1.328 0.000) 1.328 5.688 ( -0.000 -1.365 -0.000) 1.365 5.781 ( 0.000 -3.889 -0.000) 3.889 5.824 ( 0.000 -1.821 0.000) 1.821 5.827 ( -0.000 1.149 -0.000) 1.149 5.899 ( -0.000 -0.934 0.000) 0.934 5.957 ( 0.000 1.293 0.000) 1.293 6.028 ( 0.000 -0.964 -0.000) 0.964 6.092 ( -0.000 0.517 0.000) 0.517 6.124 ( 0.000 -3.549 0.000) 3.549 6.247 ( -0.000 0.912 -0.000) 0.912 6.318 ( 0.000 -2.212 0.000) 2.212 6.592 ( -0.000 6.825 0.000) 6.825 6.593 ( 0.000 4.144 -0.000) 4.144 6.987 ( 0.000 -0.058 0.000) 0.058 7.134 ( 0.000 0.302 0.000) 0.302 7.272 ( 0.000 -3.942 0.000) 3.942 7.451 ( 0.000 -2.569 0.000) 2.569 7.532 ( 0.000 -5.221 -0.000) 5.221 7.572 ( 0.000 -0.358 0.000) 0.358 7.631 ( 0.000 -1.891 -0.000) 1.891 7.671 ( 0.000 -1.885 -0.000) 1.885 7.723 ( 0.000 -0.668 0.000) 0.668 7.986 ( 0.000 -4.559 0.000) 4.559 8.151 ( 0.000 4.007 -0.000) 4.007 8.259 ( 0.000 7.696 0.000) 7.696 9.034 ( 0.000 -0.047 0.000) 0.047 9.089 ( 0.000 -0.528 0.000) 0.528 9.125 ( 0.000 3.105 -0.000) 3.105 9.313 ( 0.000 6.890 -0.000) 6.890 9.401 ( 0.000 -2.528 0.000) 2.528 9.444 ( -0.000 -8.002 -0.000) 8.002 9.568 ( 0.000 8.228 -0.000) 8.228 9.603 ( 0.000 7.497 0.000) 7.497 10.496 ( 0.000 5.253 0.000) 5.253 10.812 ( 0.000 5.324 0.000) 5.324 10.939 ( 0.000 0.984 -0.000) 0.984 11.242 ( 0.000 -8.747 0.000) 8.747 11.306 ( 0.000 -10.704 0.000) 10.704 11.328 ( 0.000 -3.590 0.000) 3.590 11.352 ( 0.000 -5.247 0.000) 5.247 11.384 ( 0.000 -7.740 -0.000) 7.740 11.458 ( 0.000 -4.811 0.000) 4.811 11.486 ( 0.000 -3.179 0.000) 3.179 11.785 ( 0.000 -1.705 0.000) 1.705 11.866 ( 0.000 -5.118 -0.000) 5.118 12.031 ( 0.000 -6.705 0.000) 6.705 12.197 ( 0.000 -7.884 0.000) 7.884 12.346 ( 0.000 -5.293 0.000) 5.293 12.393 ( 0.000 -4.930 0.000) 4.930 12.916 ( 0.000 0.908 0.000) 0.908 12.921 ( -0.000 1.022 -0.000) 1.022 13.071 ( 0.000 0.966 -0.000) 0.966 13.116 ( 0.000 -0.656 0.000) 0.656 13.794 ( 0.000 4.114 0.000) 4.114 13.857 ( 0.000 5.008 0.000) 5.008 14.109 ( 0.000 0.656 -0.000) 0.656 14.239 ( 0.000 1.031 0.000) 1.031 14.258 ( -0.000 -0.157 -0.000) 0.157 14.396 ( 0.000 0.150 -0.000) 0.150 14.467 ( 0.000 1.435 -0.000) 1.435 14.510 ( 0.000 1.287 0.000) 1.287 15.240 ( 0.000 2.989 0.000) 2.989 15.308 ( 0.000 1.206 -0.000) 1.206 15.322 ( 0.000 3.590 -0.000) 3.590 15.354 ( 0.000 3.825 0.000) 3.825 15.953 ( 0.000 -0.792 0.000) 0.792 15.998 ( 0.000 -1.594 -0.000) 1.594 16.360 ( 0.000 0.963 0.000) 0.963 16.405 ( 0.000 1.724 -0.000) 1.724 16.539 ( 0.000 -2.549 -0.000) 2.549 16.611 ( 0.000 -3.426 0.000) 3.426 16.856 ( 0.000 -5.663 0.000) 5.663 16.911 ( 0.000 -5.204 -0.000) 5.204 17.554 ( -0.000 1.038 0.000) 1.038 17.560 ( 0.000 1.820 -0.000) 1.820 17.818 ( 0.000 -0.155 0.000) 0.155 17.863 ( -0.000 -0.191 0.000) 0.191 18.098 ( 0.000 -0.869 0.000) 0.869 18.130 ( 0.000 -3.100 -0.000) 3.100 18.186 ( 0.000 -1.166 0.000) 1.166 18.270 ( -0.000 -1.588 -0.000) 1.588 19.528 ( 0.000 -0.752 0.000) 0.752 19.684 ( 0.000 -2.769 -0.000) 2.769 19.862 ( 0.000 0.498 0.000) 0.498 19.894 ( 0.000 -0.765 0.000) 0.765 20.895 ( -0.000 -1.964 -0.000) 1.964 20.897 ( 0.000 -4.493 0.000) 4.493 21.161 ( 0.000 -0.216 -0.000) 0.216 21.167 ( -0.000 -0.291 0.000) 0.291 22.725 ( 0.000 -1.541 -0.000) 1.541 22.939 ( 0.000 -5.232 0.000) 5.232 24.257 ( 0.000 -1.956 -0.000) 1.956 24.260 ( 0.000 -1.089 0.000) 1.089 25.285 ( 0.000 1.577 -0.000) 1.577 25.421 ( 0.000 0.534 0.000) 0.534 25.911 ( 0.000 -1.152 0.000) 1.152 26.000 ( 0.000 -1.608 0.000) 1.608 27.227 ( 0.000 -0.883 0.000) 0.883 27.275 ( 0.000 -3.849 -0.000) 3.849 27.282 ( 0.000 -1.015 -0.000) 1.015 27.336 ( 0.000 1.569 0.000) 1.569 27.404 ( 0.000 1.114 -0.000) 1.114 27.555 ( 0.000 -0.336 -0.000) 0.336 27.557 ( 0.000 2.677 0.000) 2.677 27.618 ( 0.000 -1.585 0.000) 1.585 27.923 ( 0.000 12.375 0.000) 12.375 27.964 ( 0.000 13.542 0.000) 13.542 28.348 ( 0.000 11.297 -0.000) 11.297 28.384 ( 0.000 12.423 0.000) 12.423 29.199 ( 0.000 8.034 0.000) 8.034 29.288 ( 0.000 7.582 0.000) 7.582 29.361 ( 0.000 5.188 0.000) 5.188 29.553 ( 0.000 7.557 -0.000) 7.557 29.892 ( 0.000 0.925 0.000) 0.925 29.966 ( 0.000 -2.492 -0.000) 2.492 30.058 ( 0.000 -1.056 -0.000) 1.056 30.250 ( 0.000 -1.331 0.000) 1.331 30.406 ( 0.000 7.010 -0.000) 7.010 30.654 ( 0.000 -2.662 0.000) 2.662 31.443 ( 0.000 -7.585 0.000) 7.585 31.481 ( -0.000 0.498 0.000) 0.498 32.898 ( 0.000 -6.236 -0.000) 6.236 32.946 ( 0.000 -6.901 -0.000) 6.901 33.173 ( 0.000 -10.032 0.000) 10.032 33.254 ( 0.000 -5.865 -0.000) 5.865 33.737 ( 0.000 -2.545 -0.000) 2.545 33.983 ( 0.000 -15.508 0.000) 15.508 34.025 ( -0.000 -6.526 -0.000) 6.526 34.158 ( 0.000 -13.146 -0.000) 13.146 47.307 ( -0.000 2.149 -0.000) 2.149 47.310 ( 0.000 1.911 0.000) 1.911 47.494 ( 0.000 2.437 0.000) 2.437 47.509 ( 0.000 2.136 0.000) 2.136 97.191 ( 0.000 8.305 0.000) 8.305 97.217 ( 0.000 6.305 0.000) 6.305 97.236 ( 0.000 4.948 -0.000) 4.948 97.283 ( 0.000 8.276 0.000) 8.276 98.758 ( 0.000 -1.737 0.000) 1.737 98.812 ( 0.000 -2.095 0.000) 2.095 99.406 ( 0.000 -10.280 0.000) 10.280 99.558 ( 0.000 -18.041 0.000) 18.041 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 29.002 0.000) 29.002 1.645 ( 0.000 6.657 0.000) 6.657 1.700 ( 0.000 21.080 0.000) 21.080 1.996 ( 0.000 8.385 0.000) 8.385 2.014 ( 0.000 6.598 0.000) 6.598 2.062 ( 0.000 12.016 0.000) 12.016 2.321 ( 0.000 9.625 0.000) 9.625 2.331 ( 0.000 4.875 0.000) 4.875 2.353 ( 0.000 5.910 0.000) 5.910 2.488 ( 0.000 1.848 0.000) 1.848 2.563 ( 0.000 1.307 0.000) 1.307 2.792 ( 0.000 3.437 0.000) 3.437 2.802 ( 0.000 3.144 0.000) 3.144 2.925 ( 0.000 1.064 0.000) 1.064 2.933 ( 0.000 11.101 0.000) 11.101 2.987 ( 0.000 8.201 0.000) 8.201 3.001 ( 0.000 -0.789 0.000) 0.789 3.189 ( 0.000 0.053 0.000) 0.053 3.278 ( 0.000 -0.462 0.000) 0.462 3.324 ( 0.000 3.838 0.000) 3.838 3.498 ( 0.000 5.541 0.000) 5.541 3.563 ( 0.000 4.633 0.000) 4.633 3.566 ( 0.000 4.519 0.000) 4.519 3.734 ( 0.000 5.573 0.000) 5.573 3.774 ( 0.000 9.347 0.000) 9.347 3.802 ( 0.000 3.305 0.000) 3.305 3.924 ( 0.000 -6.924 0.000) 6.924 3.985 ( 0.000 0.464 0.000) 0.464 4.020 ( 0.000 -0.485 0.000) 0.485 4.042 ( 0.000 -3.848 0.000) 3.848 4.074 ( 0.000 -3.197 0.000) 3.197 4.242 ( 0.000 -4.063 0.000) 4.063 4.259 ( 0.000 -4.633 0.000) 4.633 4.340 ( 0.000 9.394 0.000) 9.394 4.421 ( 0.000 7.239 0.000) 7.239 4.520 ( 0.000 5.695 0.000) 5.695 4.560 ( 0.000 -2.481 0.000) 2.481 4.661 ( 0.000 2.197 0.000) 2.197 4.679 ( 0.000 -0.684 0.000) 0.684 4.787 ( 0.000 2.548 0.000) 2.548 4.901 ( 0.000 2.220 0.000) 2.220 4.951 ( 0.000 -1.001 0.000) 1.001 5.007 ( 0.000 -1.308 0.000) 1.308 5.051 ( 0.000 0.782 0.000) 0.782 5.150 ( 0.000 -2.988 0.000) 2.988 5.241 ( 0.000 -1.929 0.000) 1.929 5.255 ( 0.000 -3.718 0.000) 3.718 5.355 ( 0.000 0.992 0.000) 0.992 5.379 ( 0.000 2.831 0.000) 2.831 5.383 ( 0.000 -0.624 0.000) 0.624 5.530 ( 0.000 -1.846 0.000) 1.846 5.591 ( 0.000 5.132 0.000) 5.132 5.647 ( 0.000 3.316 0.000) 3.316 5.748 ( 0.000 -2.800 0.000) 2.800 5.768 ( 0.000 -3.123 0.000) 3.123 5.902 ( 0.000 -3.058 0.000) 3.058 6.064 ( 0.000 0.399 0.000) 0.399 6.183 ( 0.000 3.267 0.000) 3.267 6.296 ( 0.000 -3.970 0.000) 3.970 6.336 ( 0.000 0.691 0.000) 0.691 6.446 ( 0.000 -2.733 0.000) 2.733 6.589 ( 0.000 0.843 0.000) 0.843 6.609 ( 0.000 -2.893 0.000) 2.893 6.673 ( 0.000 -1.035 0.000) 1.035 7.022 ( 0.000 0.031 0.000) 0.031 7.077 ( 0.000 -1.982 0.000) 1.982 7.334 ( 0.000 -4.643 0.000) 4.643 7.355 ( 0.000 -1.974 0.000) 1.974 7.452 ( 0.000 -1.962 0.000) 1.962 7.456 ( 0.000 -8.243 0.000) 8.243 7.546 ( 0.000 -4.089 0.000) 4.089 7.684 ( 0.000 -3.254 0.000) 3.254 7.927 ( 0.000 6.546 0.000) 6.546 7.932 ( 0.000 4.606 0.000) 4.606 8.159 ( 0.000 0.653 0.000) 0.653 8.274 ( 0.000 0.736 0.000) 0.736 8.924 ( 0.000 -2.377 0.000) 2.377 9.036 ( 0.000 -3.111 0.000) 3.111 9.211 ( 0.000 -3.254 0.000) 3.254 9.228 ( 0.000 -2.991 0.000) 2.991 9.369 ( 0.000 6.331 0.000) 6.331 9.426 ( 0.000 2.307 0.000) 2.307 9.847 ( 0.000 9.583 0.000) 9.583 9.924 ( 0.000 4.447 0.000) 4.447 10.570 ( 0.000 0.658 0.000) 0.658 10.826 ( 0.000 -2.905 0.000) 2.905 10.845 ( 0.000 -6.264 0.000) 6.264 10.967 ( 0.000 -9.422 0.000) 9.422 11.038 ( 0.000 -5.781 0.000) 5.781 11.115 ( 0.000 -4.777 0.000) 4.777 11.293 ( 0.000 -4.771 0.000) 4.771 11.304 ( 0.000 -1.840 0.000) 1.840 11.476 ( 0.000 -0.073 0.000) 0.073 11.517 ( 0.000 0.040 0.000) 0.040 11.629 ( 0.000 -0.494 0.000) 0.494 11.746 ( 0.000 -3.256 0.000) 3.256 11.980 ( 0.000 -5.027 0.000) 5.027 12.062 ( 0.000 -0.501 0.000) 0.501 12.221 ( 0.000 -7.018 0.000) 7.018 12.316 ( 0.000 -4.523 0.000) 4.523 12.841 ( 0.000 2.713 0.000) 2.713 12.862 ( 0.000 3.112 0.000) 3.112 13.101 ( 0.000 -1.466 0.000) 1.466 13.220 ( 0.000 -1.823 0.000) 1.823 13.885 ( 0.000 2.636 0.000) 2.636 13.899 ( 0.000 1.576 0.000) 1.576 14.138 ( 0.000 2.994 0.000) 2.994 14.187 ( 0.000 3.694 0.000) 3.694 14.427 ( 0.000 0.404 0.000) 0.404 14.431 ( 0.000 0.016 0.000) 0.016 14.501 ( 0.000 -0.270 0.000) 0.270 14.524 ( 0.000 -1.006 0.000) 1.006 15.345 ( 0.000 2.089 0.000) 2.089 15.364 ( 0.000 1.679 0.000) 1.679 15.398 ( 0.000 1.123 0.000) 1.123 15.411 ( 0.000 0.929 0.000) 0.929 16.133 ( 0.000 1.570 0.000) 1.570 16.155 ( 0.000 1.013 0.000) 1.013 16.257 ( 0.000 -2.275 0.000) 2.275 16.286 ( 0.000 -2.424 0.000) 2.424 16.404 ( 0.000 2.316 0.000) 2.316 16.463 ( 0.000 1.211 0.000) 1.211 16.718 ( 0.000 -4.910 0.000) 4.910 16.747 ( 0.000 -4.505 0.000) 4.505 17.576 ( 0.000 -0.403 0.000) 0.403 17.586 ( 0.000 -2.009 0.000) 2.009 17.683 ( 0.000 -3.373 0.000) 3.373 17.755 ( 0.000 -7.149 0.000) 7.149 18.119 ( 0.000 5.548 0.000) 5.548 18.267 ( 0.000 1.727 0.000) 1.727 18.331 ( 0.000 0.601 0.000) 0.601 18.456 ( 0.000 -2.345 0.000) 2.345 19.534 ( 0.000 2.546 0.000) 2.546 19.544 ( 0.000 2.201 0.000) 2.201 19.732 ( 0.000 -1.517 0.000) 1.517 19.751 ( 0.000 -1.564 0.000) 1.564 20.776 ( 0.000 -2.311 0.000) 2.311 20.799 ( 0.000 -2.402 0.000) 2.402 21.125 ( 0.000 -0.126 0.000) 0.126 21.154 ( 0.000 -1.000 0.000) 1.000 22.693 ( 0.000 -1.037 0.000) 1.037 22.845 ( 0.000 -6.278 0.000) 6.278 24.234 ( 0.000 -1.068 0.000) 1.068 24.252 ( 0.000 -1.290 0.000) 1.290 25.323 ( 0.000 2.284 0.000) 2.284 25.438 ( 0.000 -0.038 0.000) 0.038 25.887 ( 0.000 0.575 0.000) 0.575 25.995 ( 0.000 -1.727 0.000) 1.727 27.214 ( 0.000 -0.873 0.000) 0.873 27.227 ( 0.000 -1.610 0.000) 1.610 27.295 ( 0.000 -1.015 0.000) 1.015 27.301 ( 0.000 -2.045 0.000) 2.045 27.479 ( 0.000 1.288 0.000) 1.288 27.490 ( 0.000 0.261 0.000) 0.261 27.519 ( 0.000 -0.303 0.000) 0.303 27.623 ( 0.000 0.255 0.000) 0.255 28.162 ( 0.000 10.608 0.000) 10.608 28.182 ( 0.000 10.935 0.000) 10.935 28.595 ( 0.000 6.515 0.000) 6.515 28.679 ( 0.000 2.036 0.000) 2.036 29.333 ( 0.000 7.718 0.000) 7.718 29.370 ( 0.000 10.716 0.000) 10.716 29.412 ( 0.000 6.544 0.000) 6.544 29.681 ( 0.000 -0.704 0.000) 0.704 29.826 ( 0.000 1.757 0.000) 1.757 29.996 ( 0.000 -4.226 0.000) 4.226 30.034 ( 0.000 0.042 0.000) 0.042 30.198 ( 0.000 -6.658 0.000) 6.658 30.771 ( 0.000 3.365 0.000) 3.365 31.072 ( 0.000 1.402 0.000) 1.402 31.208 ( 0.000 -3.964 0.000) 3.964 31.283 ( 0.000 -2.766 0.000) 2.766 32.805 ( 0.000 -6.273 0.000) 6.273 32.826 ( 0.000 -8.564 0.000) 8.564 32.880 ( 0.000 -6.094 0.000) 6.094 33.177 ( 0.000 -13.978 0.000) 13.978 33.425 ( 0.000 3.938 0.000) 3.938 33.613 ( 0.000 3.801 0.000) 3.801 33.901 ( 0.000 -7.252 0.000) 7.252 34.081 ( 0.000 -8.481 0.000) 8.481 47.343 ( 0.000 2.208 0.000) 2.208 47.354 ( 0.000 1.762 0.000) 1.762 47.544 ( 0.000 2.392 0.000) 2.392 47.549 ( 0.000 2.226 0.000) 2.226 97.323 ( 0.000 4.943 0.000) 4.943 97.355 ( 0.000 4.715 0.000) 4.715 97.383 ( 0.000 7.456 0.000) 7.456 97.539 ( 0.000 2.476 0.000) 2.476 98.734 ( 0.000 -1.539 0.000) 1.539 98.776 ( 0.000 -2.136 0.000) 2.136 99.001 ( 0.000 -4.077 0.000) 4.077 99.083 ( 0.000 -6.596 0.000) 6.596 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.657 28.000 -0.639) 28.015 1.634 ( 0.357 15.556 -0.741) 15.578 1.743 ( 2.634 13.990 2.519) 14.457 1.947 ( -1.203 12.091 -5.107) 13.181 1.995 ( 0.803 3.951 0.172) 4.035 2.171 ( 5.835 5.930 4.770) 9.590 2.275 ( -1.540 3.159 -0.893) 3.626 2.309 ( -1.833 8.506 -2.395) 9.025 2.444 ( 1.139 10.583 -0.105) 10.644 2.511 ( 2.398 1.910 -0.904) 3.197 2.569 ( 1.988 0.328 2.149) 2.945 2.719 ( -6.835 3.227 2.869) 8.085 2.777 ( -0.681 2.494 -3.966) 4.734 2.874 ( 4.928 2.297 1.948) 5.775 2.984 ( -1.457 3.973 2.075) 4.714 3.008 ( 0.516 3.957 0.093) 3.991 3.146 ( 6.672 4.834 -1.165) 8.321 3.184 ( 1.443 2.202 -4.321) 5.060 3.280 ( -0.952 0.674 -3.069) 3.283 3.374 ( 9.414 0.776 2.924) 9.888 3.525 ( 1.489 3.750 -2.254) 4.622 3.550 ( -3.156 4.827 7.408) 9.388 3.580 ( -0.042 -0.616 2.705) 2.774 3.662 ( -0.775 5.861 -3.532) 6.886 3.764 ( -3.213 3.174 1.784) 4.856 3.832 ( 1.714 0.925 0.463) 2.002 3.921 ( 3.571 6.410 -1.305) 7.452 3.956 ( -3.458 -2.097 -0.689) 4.103 4.014 ( -1.181 -3.798 -0.014) 3.978 4.063 ( 2.279 2.110 1.555) 3.473 4.143 ( 3.439 -4.009 -1.661) 5.537 4.245 ( -0.772 0.237 -1.156) 1.411 4.264 ( 1.894 -3.872 2.476) 4.971 4.349 ( 0.911 5.167 -1.217) 5.386 4.392 ( -1.992 6.120 2.015) 6.744 4.530 ( -2.596 -2.009 -1.165) 3.483 4.557 ( 2.005 2.240 -1.494) 3.357 4.650 ( -0.307 1.919 -3.900) 4.358 4.690 ( 0.412 2.336 -0.436) 2.411 4.777 ( 1.749 1.506 5.228) 5.715 4.898 ( 0.075 4.231 -3.490) 5.485 4.950 ( -0.022 0.252 0.381) 0.457 5.022 ( 1.135 -1.421 1.860) 2.601 5.067 ( 0.246 -1.107 -2.811) 3.032 5.178 ( -5.408 0.714 3.027) 6.238 5.198 ( -1.429 -6.952 -1.262) 7.209 5.203 ( 1.443 1.610 0.208) 2.172 5.360 ( 1.388 1.504 -0.035) 2.047 5.385 ( 1.298 3.689 4.339) 5.841 5.486 ( 6.420 -2.167 1.506) 6.941 5.504 ( -1.784 1.515 -2.672) 3.552 5.575 ( -0.670 3.887 1.426) 4.194 5.673 ( 2.860 1.292 -3.508) 4.707 5.736 ( -0.851 -2.617 0.592) 2.815 5.794 ( 1.847 -2.571 -0.809) 3.268 5.897 ( -0.567 -2.732 -0.001) 2.791 6.064 ( -0.520 -0.284 -1.605) 1.710 6.150 ( -2.461 3.363 -2.201) 4.713 6.246 ( -5.753 -1.723 3.482) 6.942 6.277 ( -5.121 -0.515 0.070) 5.147 6.365 ( -7.326 -3.606 0.525) 8.182 6.550 ( -4.452 2.292 0.386) 5.022 6.624 ( 1.039 -2.840 -1.691) 3.465 6.689 ( 1.492 -1.146 0.395) 1.922 7.008 ( 0.141 0.122 0.299) 0.353 7.122 ( 2.072 -1.824 0.475) 2.801 7.273 ( -4.262 -3.430 -1.073) 5.575 7.358 ( 0.063 -3.148 0.614) 3.208 7.414 ( -1.704 -3.253 2.278) 4.322 7.505 ( 3.266 -4.684 -3.616) 6.759 7.572 ( 1.837 -3.500 -0.098) 3.954 7.681 ( -1.378 -4.877 1.622) 5.321 7.781 ( -5.569 6.142 -0.129) 8.292 8.047 ( -1.141 2.733 -0.346) 2.981 8.133 ( 3.126 2.570 0.735) 4.113 8.321 ( 3.099 2.333 -0.408) 3.900 8.939 ( 1.119 -3.139 0.893) 3.451 9.038 ( 0.369 -2.830 -0.944) 3.006 9.210 ( 0.365 -5.058 -3.085) 5.936 9.235 ( 0.210 -1.330 1.351) 1.907 9.368 ( -0.385 5.215 4.222) 6.721 9.427 ( 0.362 2.731 -1.598) 3.185 9.821 ( -2.499 8.715 1.067) 9.129 9.888 ( -3.246 5.694 -1.608) 6.749 10.569 ( -0.170 0.912 0.819) 1.237 10.805 ( 0.628 -4.521 -2.162) 5.050 10.898 ( 2.553 -3.281 -1.495) 4.418 11.005 ( 3.065 -9.311 4.783) 10.907 11.047 ( 1.614 -5.938 -1.213) 6.272 11.151 ( 2.722 -5.908 -0.462) 6.521 11.243 ( -2.899 -3.629 -0.850) 4.722 11.328 ( 0.565 -3.116 0.936) 3.302 11.443 ( -2.615 1.175 -1.169) 3.095 11.496 ( -1.515 -0.507 -0.511) 1.677 11.669 ( 2.701 -1.486 2.675) 4.082 11.747 ( 0.120 -4.049 -1.404) 4.287 11.963 ( -1.355 -4.535 -0.903) 4.818 12.061 ( -0.060 -1.253 0.428) 1.325 12.227 ( 0.438 -6.989 0.366) 7.013 12.309 ( -0.629 -4.517 -0.171) 4.564 12.847 ( 1.312 2.972 -0.212) 3.256 12.898 ( 2.823 2.390 0.021) 3.699 13.098 ( -0.502 -1.061 0.614) 1.325 13.198 ( -1.962 -1.468 -1.032) 2.659 13.865 ( -0.593 2.930 0.644) 3.058 13.940 ( 1.972 0.793 0.830) 2.281 14.102 ( -1.777 3.978 -0.421) 4.377 14.220 ( 1.746 1.979 0.204) 2.647 14.397 ( -2.319 1.470 -1.150) 2.977 14.426 ( -0.708 -0.355 -1.042) 1.309 14.479 ( -1.417 0.005 0.069) 1.419 14.534 ( 0.347 -0.838 1.347) 1.624 15.323 ( -1.426 2.259 0.199) 2.679 15.367 ( -0.542 1.655 0.502) 1.813 15.390 ( -0.449 1.073 -0.671) 1.342 15.415 ( 0.200 1.420 0.075) 1.436 16.054 ( -4.545 1.130 -0.032) 4.684 16.092 ( -5.096 0.776 0.271) 5.162 16.335 ( 5.891 -2.734 0.085) 6.495 16.371 ( 5.308 -2.326 -0.215) 5.799 16.417 ( 1.319 2.223 0.728) 2.685 16.448 ( -0.957 1.042 -1.367) 1.967 16.727 ( 0.510 -5.179 0.182) 5.207 16.753 ( 0.749 -4.964 0.263) 5.027 17.530 ( -1.309 -0.845 0.069) 1.560 17.672 ( 4.855 -1.641 -0.294) 5.133 17.705 ( 3.313 -1.714 -0.104) 3.731 17.811 ( 5.003 -6.585 0.745) 8.303 17.976 ( -10.968 5.994 -0.762) 12.523 18.265 ( -2.990 1.538 2.721) 4.325 18.324 ( -0.702 0.240 -2.063) 2.193 18.391 ( -6.094 -1.881 -0.277) 6.383 19.535 ( 0.105 2.105 -0.497) 2.166 19.578 ( 2.831 0.836 0.409) 2.980 19.766 ( 3.002 -1.802 0.462) 3.532 19.777 ( 2.463 -1.745 -0.297) 3.033 20.788 ( 1.147 -2.434 0.016) 2.691 20.812 ( 1.184 -2.400 -0.047) 2.676 21.134 ( 0.721 -0.303 0.463) 0.908 21.154 ( -0.002 -0.909 -0.390) 0.989 22.694 ( 0.126 -1.033 -0.043) 1.042 22.842 ( -0.331 -5.923 0.155) 5.934 24.230 ( -0.343 -0.990 -0.123) 1.055 24.251 ( -0.219 -1.357 0.083) 1.377 25.323 ( -0.003 2.251 0.008) 2.251 25.436 ( -0.189 0.001 -0.239) 0.304 25.890 ( 0.170 0.454 0.630) 0.795 25.988 ( -0.596 -1.680 -0.525) 1.859 27.215 ( 0.026 -1.310 -0.213) 1.327 27.228 ( -0.023 -1.436 0.033) 1.437 27.270 ( -1.286 -1.368 -0.403) 1.921 27.317 ( 0.712 -0.846 1.520) 1.880 27.473 ( -0.477 1.515 -3.033) 3.424 27.500 ( 1.216 -0.185 1.005) 1.589 27.533 ( 1.073 -0.580 1.435) 1.884 27.621 ( -0.259 0.211 -0.227) 0.403 28.164 ( 0.248 10.955 -0.028) 10.958 28.195 ( 1.117 10.903 0.030) 10.960 28.580 ( -1.414 6.637 0.198) 6.788 28.656 ( -2.247 3.475 -0.096) 4.139 29.344 ( 1.329 7.916 -0.606) 8.049 29.363 ( 0.112 9.117 0.478) 9.130 29.450 ( 2.608 5.984 0.817) 6.578 29.641 ( -2.175 2.066 -3.629) 4.709 29.862 ( 2.085 1.164 5.288) 5.802 30.007 ( 0.189 -3.623 0.769) 3.708 30.049 ( 1.716 -2.995 -1.971) 3.975 30.153 ( -3.734 -5.113 -2.243) 6.717 30.750 ( -2.386 4.081 2.958) 5.576 30.905 ( -14.013 4.797 -1.131) 14.855 31.146 ( 3.154 -0.172 -0.790) 3.256 31.466 ( 6.711 -7.516 0.254) 10.079 32.802 ( -0.527 -5.999 1.950) 6.330 32.813 ( -1.062 -7.652 -0.431) 7.737 32.908 ( 2.442 -8.147 -1.830) 8.700 33.125 ( -2.830 -9.809 -0.508) 10.221 33.516 ( 6.243 -1.069 3.785) 7.379 33.632 ( 2.651 1.243 -5.156) 5.929 33.907 ( 0.234 -7.123 3.667) 8.015 34.051 ( -2.855 -8.098 -1.767) 8.767 47.342 ( -0.010 2.217 0.040) 2.217 47.356 ( 0.149 1.743 -0.050) 1.750 47.544 ( 0.015 2.392 0.010) 2.392 47.550 ( 0.123 2.191 0.002) 2.195 97.323 ( 0.030 4.951 0.164) 4.954 97.350 ( -0.382 4.790 -0.585) 4.841 97.379 ( -0.382 7.459 0.749) 7.507 97.508 ( -2.586 3.996 -0.544) 4.791 98.730 ( -0.297 -1.291 -0.204) 1.340 98.774 ( -0.184 -1.926 0.153) 1.941 99.047 ( 4.381 -6.333 0.736) 7.736 99.136 ( 4.542 -8.465 -0.355) 9.613 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 4.286 23.871 0.087) 24.253 1.661 ( 1.699 20.650 2.785) 20.906 1.806 ( 4.911 9.761 -3.427) 11.452 1.936 ( 0.007 13.210 -2.917) 13.528 2.060 ( 4.545 -2.505 -0.181) 5.193 2.171 ( -7.732 8.181 -1.235) 11.324 2.246 ( -0.801 3.349 0.453) 3.473 2.310 ( 2.982 5.811 -0.111) 6.532 2.415 ( -1.010 10.517 4.763) 11.590 2.506 ( -4.118 4.069 2.400) 6.267 2.638 ( 4.166 -4.726 0.032) 6.300 2.715 ( 4.025 4.313 -1.095) 6.000 2.740 ( -2.459 5.208 -2.887) 6.443 2.902 ( -2.545 1.256 0.571) 2.895 2.972 ( -2.626 5.501 -1.109) 6.195 3.047 ( 8.309 -0.683 -0.396) 8.346 3.139 ( -5.306 2.655 -1.651) 6.159 3.203 ( 0.146 -0.884 3.671) 3.778 3.356 ( 7.389 2.164 -7.474) 10.731 3.432 ( -7.210 2.980 4.819) 9.170 3.556 ( 1.724 3.312 -0.407) 3.756 3.582 ( 9.021 -1.778 2.658) 9.571 3.666 ( 9.418 -0.853 -1.941) 9.653 3.682 ( -0.191 -2.917 3.236) 4.361 3.743 ( 0.490 5.568 1.401) 5.763 3.829 ( -2.077 -5.006 -1.669) 5.671 3.878 ( -1.199 1.983 2.453) 3.375 3.953 ( -1.931 0.286 1.016) 2.201 4.025 ( -0.174 -3.177 -0.326) 3.198 4.116 ( -0.220 4.611 -4.321) 6.323 4.123 ( -3.415 3.654 0.938) 5.089 4.223 ( 3.042 1.289 -3.432) 4.764 4.300 ( 0.698 -3.671 3.672) 5.238 4.370 ( -0.441 -5.592 4.258) 7.042 4.432 ( -0.929 6.338 0.630) 6.436 4.452 ( 2.212 6.809 0.253) 7.164 4.590 ( 2.581 -2.169 -2.374) 4.123 4.630 ( 0.348 0.085 -6.874) 6.884 4.737 ( 2.736 7.470 -0.189) 7.958 4.853 ( 2.929 2.957 3.389) 5.367 4.871 ( -1.699 1.098 -1.749) 2.675 4.965 ( -0.085 4.373 4.308) 6.139 5.015 ( -1.120 1.939 -2.958) 3.710 5.034 ( -3.355 0.606 -1.537) 3.739 5.075 ( -4.890 0.715 1.965) 5.318 5.173 ( 2.885 3.560 -1.169) 4.729 5.287 ( 4.369 -2.595 2.149) 5.517 5.366 ( -1.490 4.114 -0.755) 4.441 5.424 ( 0.468 0.352 1.890) 1.979 5.474 ( 1.393 2.300 -1.077) 2.896 5.585 ( 2.369 0.240 2.381) 3.367 5.640 ( 6.256 -1.485 -0.798) 6.479 5.720 ( -0.156 0.114 0.731) 0.756 5.723 ( 1.606 -3.140 -0.519) 3.564 5.810 ( 0.475 -2.584 -2.164) 3.404 5.890 ( -0.351 -1.077 1.790) 2.118 6.016 ( -3.301 -0.829 -5.288) 6.289 6.076 ( -6.711 -0.510 0.546) 6.752 6.119 ( -4.533 1.338 -1.940) 5.109 6.207 ( -2.752 2.109 3.063) 4.627 6.225 ( -4.535 -2.452 1.292) 5.315 6.429 ( -7.557 1.058 -0.430) 7.643 6.636 ( 0.618 -0.767 -0.960) 1.376 6.710 ( 0.067 1.520 1.490) 2.130 7.000 ( -1.446 -0.677 0.295) 1.624 7.151 ( 0.376 -2.168 2.180) 3.097 7.192 ( -2.468 -1.905 -4.593) 5.551 7.365 ( 0.636 -3.865 3.286) 5.113 7.428 ( 2.232 -2.392 -0.726) 3.351 7.548 ( 1.246 -2.434 -1.845) 3.299 7.587 ( -0.512 -2.080 0.000) 2.142 7.642 ( -1.268 -3.708 1.576) 4.224 7.735 ( 0.003 2.652 -0.553) 2.709 7.958 ( -5.178 -1.609 -0.178) 5.425 8.223 ( 3.502 5.875 1.102) 6.927 8.368 ( 1.881 3.985 -0.770) 4.473 8.958 ( 0.598 -4.212 0.551) 4.290 9.049 ( 0.803 -2.708 -0.674) 2.904 9.215 ( 0.661 -4.188 -2.840) 5.103 9.235 ( -0.456 -1.703 1.725) 2.467 9.372 ( -0.049 2.792 3.466) 4.451 9.433 ( 0.493 3.521 -1.390) 3.817 9.768 ( -2.800 7.549 1.022) 8.117 9.819 ( -2.896 7.748 -1.600) 8.425 10.567 ( -0.165 0.895 0.795) 1.208 10.843 ( 3.561 -4.541 -5.733) 8.135 10.925 ( 0.055 -1.326 5.337) 5.500 11.053 ( 0.744 -6.534 0.995) 6.651 11.091 ( 1.796 -6.191 -0.657) 6.480 11.191 ( 1.896 -6.776 -1.369) 7.168 11.210 ( 0.044 -5.526 0.207) 5.530 11.326 ( -0.902 -3.720 0.484) 3.858 11.399 ( -1.456 1.258 -0.679) 2.041 11.469 ( -0.984 0.031 0.061) 0.986 11.716 ( 1.540 -2.809 2.076) 3.817 11.744 ( -0.104 -5.549 -1.545) 5.761 11.938 ( -0.839 -3.927 -0.654) 4.068 12.063 ( 0.153 -2.891 0.363) 2.918 12.233 ( 0.019 -6.596 0.273) 6.601 12.296 ( -0.521 -4.514 -0.111) 4.545 12.890 ( 3.012 2.456 -0.278) 3.896 12.950 ( 1.902 1.535 0.094) 2.447 13.083 ( -0.736 0.167 0.493) 0.902 13.150 ( -2.705 -0.725 -0.930) 2.951 13.864 ( 0.180 2.996 0.739) 3.091 13.950 ( -0.820 1.812 0.361) 2.021 14.101 ( 1.411 2.017 -0.368) 2.489 14.238 ( 0.236 0.896 1.834) 2.055 14.341 ( -2.960 1.957 -3.182) 4.766 14.407 ( -0.933 -0.063 -0.421) 1.026 14.472 ( 0.785 0.773 0.360) 1.159 14.535 ( -0.537 -0.342 1.048) 1.226 15.303 ( -0.685 2.443 0.285) 2.553 15.347 ( -1.142 1.407 0.227) 1.826 15.383 ( -0.247 1.593 -0.703) 1.759 15.417 ( -0.041 1.826 0.301) 1.851 15.986 ( -2.466 1.227 -0.054) 2.755 16.010 ( -3.109 0.379 0.230) 3.141 16.394 ( 0.093 1.219 -0.851) 1.489 16.433 ( 0.678 1.204 0.758) 1.576 16.451 ( 2.702 -2.488 0.553) 3.714 16.481 ( 3.902 -3.453 -0.988) 5.304 16.732 ( 0.054 -5.783 -0.096) 5.784 16.774 ( 1.036 -6.054 0.405) 6.155 17.535 ( 1.943 0.876 -0.038) 2.131 17.747 ( -0.231 1.800 0.771) 1.972 17.770 ( -4.055 3.919 -1.438) 5.820 17.812 ( 4.765 -1.293 0.237) 4.943 17.933 ( 7.002 -4.679 1.029) 8.485 18.180 ( -5.268 0.643 -0.025) 5.307 18.251 ( -7.176 -0.829 -0.378) 7.233 18.277 ( -4.243 -2.132 -0.145) 4.751 19.536 ( 0.087 1.742 -0.510) 1.817 19.627 ( 1.814 -0.532 0.462) 1.947 19.824 ( 2.377 -1.935 0.394) 3.090 19.829 ( 2.541 -2.584 -0.297) 3.636 20.812 ( 1.085 -2.631 0.001) 2.846 20.837 ( 1.175 -2.379 -0.023) 2.654 21.149 ( 0.610 -0.520 0.398) 0.895 21.153 ( 0.017 -0.768 -0.354) 0.846 22.696 ( 0.134 -1.022 -0.044) 1.032 22.835 ( -0.336 -5.229 0.153) 5.242 24.225 ( -0.077 -1.000 -0.097) 1.007 24.243 ( -0.512 -1.296 0.053) 1.395 25.323 ( 0.050 2.151 0.031) 2.152 25.431 ( -0.213 0.091 -0.255) 0.344 25.895 ( 0.243 0.095 0.658) 0.708 25.975 ( -0.616 -1.567 -0.524) 1.763 27.212 ( -0.365 -2.219 -0.160) 2.254 27.221 ( -0.305 -0.458 0.301) 0.627 27.253 ( -0.425 -1.672 -1.042) 2.015 27.339 ( 1.206 0.116 2.510) 2.787 27.453 ( -0.918 1.538 -2.967) 3.466 27.530 ( 1.395 -0.205 1.124) 1.803 27.557 ( 1.159 -1.124 0.839) 1.820 27.610 ( -0.853 0.175 -0.510) 1.009 28.172 ( 0.510 11.465 -0.015) 11.476 28.216 ( 0.919 11.156 0.006) 11.194 28.552 ( -1.281 6.966 0.314) 7.090 28.606 ( -2.364 5.791 -0.227) 6.259 29.367 ( 0.958 9.052 -0.386) 9.111 29.393 ( 2.446 6.486 1.079) 7.015 29.479 ( 0.003 4.155 -1.612) 4.457 29.631 ( 1.936 4.169 -0.284) 4.605 29.906 ( 1.380 1.535 3.853) 4.371 29.967 ( -5.173 -5.402 -0.882) 7.531 30.045 ( -1.010 -1.873 -1.644) 2.689 30.131 ( 2.010 -4.831 -0.355) 5.244 30.672 ( -6.963 8.541 -0.123) 11.020 30.720 ( -3.162 5.520 0.739) 6.404 31.236 ( 5.697 -1.891 -0.452) 6.020 31.504 ( -2.028 -5.912 0.136) 6.251 32.788 ( -0.881 -5.078 1.198) 5.292 32.801 ( -0.209 -6.981 -0.004) 6.984 32.943 ( 1.313 -10.083 -1.840) 10.333 33.097 ( -0.458 -9.292 0.555) 9.320 33.629 ( 4.815 -2.021 1.854) 5.541 33.688 ( 3.268 -5.470 -2.734) 6.934 33.920 ( 0.370 -7.002 2.960) 7.611 33.975 ( -4.230 -7.039 -2.133) 8.485 47.344 ( 0.277 2.144 0.033) 2.162 47.356 ( -0.156 1.815 -0.044) 1.823 47.545 ( 0.023 2.386 0.012) 2.386 47.553 ( 0.112 2.132 0.000) 2.135 97.324 ( 0.077 5.018 0.160) 5.022 97.340 ( -0.495 4.874 -0.417) 4.917 97.374 ( -0.275 7.493 0.513) 7.516 97.460 ( -1.927 5.880 -0.366) 6.198 98.727 ( 0.019 -1.095 -0.143) 1.105 98.772 ( -0.057 -1.788 0.064) 1.790 99.142 ( 4.635 -9.160 -0.163) 10.267 99.213 ( 2.710 -11.482 0.423) 11.805 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.000 20.766 -0.000) 20.766 1.685 ( 0.000 20.427 0.000) 20.427 1.904 ( 0.000 11.925 -0.000) 11.925 1.915 ( -0.000 8.893 0.000) 8.893 2.043 ( 0.000 7.744 0.000) 7.744 2.119 ( 0.000 -2.435 -0.000) 2.435 2.233 ( 0.000 8.374 0.000) 8.374 2.356 ( 0.000 7.928 0.000) 7.928 2.399 ( 0.000 2.293 -0.000) 2.293 2.460 ( 0.000 6.894 0.000) 6.894 2.691 ( -0.000 3.160 0.000) 3.160 2.709 ( 0.000 -5.145 -0.000) 5.145 2.754 ( 0.000 5.942 -0.000) 5.942 2.883 ( 0.000 -1.784 0.000) 1.784 2.970 ( -0.000 6.791 0.000) 6.791 2.992 ( 0.000 4.235 -0.000) 4.235 3.181 ( 0.000 1.378 0.000) 1.378 3.242 ( 0.000 -3.905 -0.000) 3.905 3.327 ( -0.000 1.767 0.000) 1.767 3.444 ( -0.000 -0.399 0.000) 0.399 3.588 ( 0.000 1.407 -0.000) 1.407 3.621 ( 0.000 -1.461 -0.000) 1.461 3.700 ( 0.000 3.273 0.000) 3.273 3.739 ( 0.000 -2.933 0.000) 2.933 3.782 ( 0.000 -0.999 -0.000) 0.999 3.852 ( 0.000 -4.982 -0.000) 4.982 3.900 ( -0.000 1.473 0.000) 1.473 3.944 ( -0.000 1.939 0.000) 1.939 3.948 ( 0.000 -2.023 -0.000) 2.023 4.038 ( 0.000 1.011 -0.000) 1.011 4.134 ( 0.000 0.073 0.000) 0.073 4.261 ( -0.000 0.450 -0.000) 0.450 4.318 ( 0.000 -5.946 -0.000) 5.946 4.352 ( 0.000 -5.381 -0.000) 5.381 4.387 ( 0.000 6.617 0.000) 6.617 4.547 ( 0.000 9.723 0.000) 9.723 4.605 ( 0.000 2.850 0.000) 2.850 4.654 ( -0.000 -2.862 -0.000) 2.862 4.751 ( -0.000 8.763 -0.000) 8.763 4.841 ( 0.000 2.404 0.000) 2.404 4.880 ( 0.000 3.945 0.000) 3.945 4.965 ( 0.000 5.978 0.000) 5.978 4.974 ( -0.000 2.858 -0.000) 2.858 5.007 ( -0.000 1.652 0.000) 1.652 5.039 ( 0.000 2.963 -0.000) 2.963 5.222 ( 0.000 3.275 0.000) 3.275 5.329 ( -0.000 4.782 0.000) 4.782 5.364 ( 0.000 -0.960 0.000) 0.960 5.437 ( -0.000 -2.671 0.000) 2.671 5.460 ( 0.000 3.227 -0.000) 3.227 5.644 ( -0.000 -0.845 -0.000) 0.845 5.660 ( 0.000 -1.317 -0.000) 1.317 5.722 ( 0.000 -1.066 0.000) 1.066 5.771 ( 0.000 -3.628 -0.000) 3.628 5.831 ( -0.000 -4.010 -0.000) 4.010 5.859 ( 0.000 1.011 0.000) 1.011 5.979 ( 0.000 -0.889 -0.000) 0.889 5.988 ( -0.000 -2.062 0.000) 2.062 6.097 ( -0.000 0.653 -0.000) 0.653 6.116 ( 0.000 2.259 0.000) 2.259 6.276 ( -0.000 2.335 -0.000) 2.335 6.295 ( 0.000 -0.083 0.000) 0.083 6.644 ( 0.000 0.150 0.000) 0.150 6.705 ( 0.000 3.478 -0.000) 3.478 6.979 ( 0.000 -0.609 0.000) 0.609 7.137 ( 0.000 -0.082 -0.000) 0.082 7.183 ( 0.000 -4.370 0.000) 4.370 7.385 ( 0.000 -4.225 -0.000) 4.225 7.454 ( 0.000 -1.870 0.000) 1.870 7.549 ( 0.000 -1.622 -0.000) 1.622 7.580 ( 0.000 -2.439 0.000) 2.439 7.634 ( 0.000 -2.107 -0.000) 2.107 7.749 ( -0.000 2.364 0.000) 2.364 7.895 ( 0.000 -3.928 0.000) 3.928 8.257 ( 0.000 6.234 -0.000) 6.234 8.387 ( 0.000 4.778 -0.000) 4.778 8.964 ( 0.000 -4.651 -0.000) 4.651 9.058 ( 0.000 -2.837 0.000) 2.837 9.219 ( 0.000 2.767 -0.000) 2.767 9.231 ( -0.000 -8.308 0.000) 8.308 9.375 ( 0.000 1.661 -0.000) 1.661 9.438 ( 0.000 3.992 0.000) 3.992 9.738 ( 0.000 7.567 0.000) 7.567 9.788 ( 0.000 8.222 0.000) 8.222 10.567 ( 0.000 0.753 0.000) 0.753 10.885 ( 0.000 -8.779 -0.000) 8.779 10.926 ( 0.000 5.182 0.000) 5.182 11.048 ( 0.000 -5.555 0.000) 5.555 11.106 ( 0.000 -7.415 -0.000) 7.415 11.209 ( 0.000 -5.393 -0.000) 5.393 11.228 ( 0.000 -6.812 0.000) 6.812 11.308 ( 0.000 -4.953 0.000) 4.953 11.385 ( 0.000 1.361 0.000) 1.361 11.461 ( 0.000 0.009 0.000) 0.009 11.732 ( 0.000 -3.402 -0.000) 3.402 11.741 ( 0.000 -6.140 0.000) 6.140 11.930 ( 0.000 -3.755 0.000) 3.755 12.065 ( 0.000 -3.827 0.000) 3.827 12.232 ( 0.000 -6.144 0.000) 6.144 12.291 ( 0.000 -4.597 0.000) 4.597 12.942 ( 0.000 1.436 -0.000) 1.436 12.950 ( -0.000 1.625 0.000) 1.625 13.091 ( -0.000 1.028 -0.000) 1.028 13.104 ( 0.000 -0.352 0.000) 0.352 13.867 ( 0.000 2.963 0.000) 2.963 13.938 ( 0.000 2.652 -0.000) 2.652 14.119 ( 0.000 0.521 0.000) 0.521 14.250 ( 0.000 -0.031 0.000) 0.031 14.294 ( 0.000 3.108 0.000) 3.108 14.397 ( 0.000 0.039 -0.000) 0.039 14.487 ( 0.000 0.673 -0.000) 0.673 14.526 ( 0.000 0.251 0.000) 0.251 15.297 ( 0.000 2.480 0.000) 2.480 15.335 ( 0.000 1.376 -0.000) 1.376 15.379 ( 0.000 1.760 -0.000) 1.760 15.416 ( 0.000 1.937 0.000) 1.937 15.962 ( 0.000 1.423 0.000) 1.423 15.980 ( 0.000 0.054 -0.000) 0.054 16.389 ( 0.000 1.885 0.000) 1.885 16.442 ( 0.000 1.870 0.000) 1.870 16.479 ( 0.000 -3.125 -0.000) 3.125 16.522 ( 0.000 -4.743 0.000) 4.743 16.732 ( 0.000 -6.163 0.000) 6.163 16.785 ( 0.000 -6.662 0.000) 6.662 17.599 ( -0.000 3.245 0.000) 3.245 17.622 ( 0.000 4.168 -0.000) 4.168 17.826 ( 0.000 0.676 -0.000) 0.676 17.861 ( -0.000 -0.524 0.000) 0.524 18.067 ( 0.000 -2.600 -0.000) 2.600 18.079 ( 0.000 -0.997 0.000) 0.997 18.162 ( 0.000 -1.293 0.000) 1.293 18.217 ( -0.000 -3.344 -0.000) 3.344 19.537 ( 0.000 1.657 0.000) 1.657 19.645 ( 0.000 -0.842 -0.000) 0.842 19.848 ( 0.000 -1.971 0.000) 1.971 19.855 ( 0.000 -2.928 -0.000) 2.928 20.823 ( 0.000 -2.722 0.000) 2.722 20.849 ( 0.000 -2.349 -0.000) 2.349 21.152 ( 0.000 -0.608 -0.000) 0.608 21.156 ( 0.000 -0.671 0.000) 0.671 22.698 ( 0.000 -1.015 0.000) 1.015 22.831 ( 0.000 -4.890 0.000) 4.890 24.225 ( 0.000 -1.115 -0.000) 1.115 24.236 ( 0.000 -1.144 0.000) 1.144 25.324 ( 0.000 2.084 0.000) 2.084 25.429 ( 0.000 0.137 0.000) 0.137 25.899 ( 0.000 -0.132 0.000) 0.132 25.967 ( 0.000 -1.502 0.000) 1.502 27.206 ( 0.000 -2.319 0.000) 2.319 27.221 ( 0.000 0.128 0.000) 0.128 27.247 ( 0.000 -2.172 0.000) 2.172 27.359 ( 0.000 0.233 0.000) 0.233 27.437 ( 0.000 1.743 -0.000) 1.743 27.547 ( 0.000 -0.190 0.000) 0.190 27.577 ( 0.000 -2.106 0.000) 2.106 27.593 ( -0.000 0.947 -0.000) 0.947 28.178 ( 0.000 11.719 0.000) 11.719 28.225 ( 0.000 11.376 0.000) 11.376 28.539 ( 0.000 7.093 -0.000) 7.093 28.581 ( 0.000 6.700 0.000) 6.700 29.378 ( 0.000 8.797 0.000) 8.797 29.429 ( 0.000 5.958 0.000) 5.958 29.464 ( 0.000 4.419 -0.000) 4.419 29.672 ( 0.000 3.544 0.000) 3.544 29.887 ( 0.000 -4.155 -0.000) 4.155 29.924 ( 0.000 1.751 0.000) 1.751 30.036 ( 0.000 -1.358 -0.000) 1.358 30.157 ( 0.000 -6.382 0.000) 6.382 30.598 ( 0.000 10.342 -0.000) 10.342 30.694 ( 0.000 5.186 0.000) 5.186 31.316 ( 0.000 -4.315 0.000) 4.315 31.455 ( -0.000 -2.765 0.000) 2.765 32.781 ( 0.000 -4.772 -0.000) 4.772 32.799 ( 0.000 -6.881 0.000) 6.881 32.953 ( 0.000 -10.540 0.000) 10.540 33.094 ( 0.000 -9.318 -0.000) 9.318 33.682 ( -0.000 -2.729 -0.000) 2.729 33.728 ( 0.000 -8.697 0.000) 8.697 33.910 ( -0.000 -4.561 0.000) 4.561 33.934 ( 0.000 -8.096 -0.000) 8.096 47.351 ( -0.000 1.954 -0.000) 1.954 47.351 ( 0.000 2.012 0.000) 2.012 47.545 ( 0.000 2.380 0.000) 2.380 47.554 ( 0.000 2.107 0.000) 2.107 97.326 ( 0.000 4.975 -0.000) 4.975 97.334 ( 0.000 5.067 0.000) 5.067 97.372 ( 0.000 7.436 -0.000) 7.436 97.441 ( 0.000 6.456 0.000) 6.456 98.727 ( 0.000 -1.112 0.000) 1.112 98.771 ( 0.000 -1.758 0.000) 1.758 99.194 ( 0.000 -9.784 0.000) 9.784 99.235 ( 0.000 -12.987 0.000) 12.987 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.000 8.317 0.000) 8.317 1.997 ( 0.000 8.846 0.000) 8.846 2.069 ( 0.000 15.795 0.000) 15.795 2.107 ( 0.000 8.517 0.000) 8.517 2.137 ( 0.000 4.180 0.000) 4.180 2.365 ( 0.000 14.467 0.000) 14.467 2.400 ( 0.000 3.872 0.000) 3.872 2.432 ( 0.000 1.285 0.000) 1.285 2.488 ( 0.000 5.131 0.000) 5.131 2.534 ( 0.000 3.799 0.000) 3.799 2.618 ( 0.000 2.631 0.000) 2.631 2.768 ( 0.000 -2.611 0.000) 2.611 2.860 ( 0.000 1.053 0.000) 1.053 2.973 ( 0.000 6.093 0.000) 6.093 2.993 ( 0.000 -4.764 0.000) 4.764 3.042 ( 0.000 4.001 0.000) 4.001 3.087 ( 0.000 1.874 0.000) 1.874 3.204 ( 0.000 0.733 0.000) 0.733 3.281 ( 0.000 1.506 0.000) 1.506 3.395 ( 0.000 3.016 0.000) 3.016 3.504 ( 0.000 -7.254 0.000) 7.254 3.529 ( 0.000 -2.529 0.000) 2.529 3.639 ( 0.000 0.417 0.000) 0.417 3.787 ( 0.000 -2.866 0.000) 2.866 3.790 ( 0.000 -1.661 0.000) 1.661 3.792 ( 0.000 0.525 0.000) 0.525 3.878 ( 0.000 -2.819 0.000) 2.819 3.960 ( 0.000 -4.129 0.000) 4.129 4.015 ( 0.000 1.983 0.000) 1.983 4.036 ( 0.000 -0.407 0.000) 0.407 4.167 ( 0.000 2.142 0.000) 2.142 4.180 ( 0.000 -1.553 0.000) 1.553 4.208 ( 0.000 7.746 0.000) 7.746 4.444 ( 0.000 -1.591 0.000) 1.591 4.518 ( 0.000 1.108 0.000) 1.108 4.570 ( 0.000 3.320 0.000) 3.320 4.607 ( 0.000 4.987 0.000) 4.987 4.687 ( 0.000 1.537 0.000) 1.537 4.739 ( 0.000 2.704 0.000) 2.704 4.876 ( 0.000 -7.358 0.000) 7.358 4.877 ( 0.000 7.129 0.000) 7.129 4.979 ( 0.000 -1.573 0.000) 1.573 4.987 ( 0.000 2.893 0.000) 2.893 5.067 ( 0.000 -1.147 0.000) 1.147 5.113 ( 0.000 7.740 0.000) 7.740 5.174 ( 0.000 -1.972 0.000) 1.972 5.230 ( 0.000 0.513 0.000) 0.513 5.354 ( 0.000 -0.199 0.000) 0.199 5.374 ( 0.000 0.071 0.000) 0.071 5.497 ( 0.000 0.445 0.000) 0.445 5.522 ( 0.000 3.629 0.000) 3.629 5.645 ( 0.000 -2.447 0.000) 2.447 5.722 ( 0.000 1.900 0.000) 1.900 5.726 ( 0.000 2.688 0.000) 2.688 5.734 ( 0.000 2.892 0.000) 2.892 5.855 ( 0.000 -1.512 0.000) 1.512 6.075 ( 0.000 0.890 0.000) 0.890 6.215 ( 0.000 -1.498 0.000) 1.498 6.220 ( 0.000 -3.435 0.000) 3.435 6.282 ( 0.000 -6.041 0.000) 6.041 6.402 ( 0.000 0.278 0.000) 0.278 6.536 ( 0.000 -3.846 0.000) 3.846 6.625 ( 0.000 2.348 0.000) 2.348 6.670 ( 0.000 0.149 0.000) 0.149 7.044 ( 0.000 2.079 0.000) 2.079 7.049 ( 0.000 -0.014 0.000) 0.014 7.222 ( 0.000 -5.905 0.000) 5.905 7.257 ( 0.000 -7.436 0.000) 7.436 7.381 ( 0.000 1.357 0.000) 1.357 7.417 ( 0.000 -1.126 0.000) 1.126 7.468 ( 0.000 -3.174 0.000) 3.174 7.577 ( 0.000 -6.279 0.000) 6.279 8.042 ( 0.000 5.224 0.000) 5.224 8.069 ( 0.000 6.657 0.000) 6.657 8.161 ( 0.000 -0.585 0.000) 0.585 8.259 ( 0.000 -2.175 0.000) 2.175 8.904 ( 0.000 0.243 0.000) 0.243 8.972 ( 0.000 -2.807 0.000) 2.807 9.171 ( 0.000 -0.878 0.000) 0.878 9.185 ( 0.000 -1.404 0.000) 1.404 9.473 ( 0.000 3.698 0.000) 3.698 9.481 ( 0.000 2.621 0.000) 2.621 9.998 ( 0.000 5.120 0.000) 5.120 10.011 ( 0.000 3.714 0.000) 3.714 10.548 ( 0.000 -1.908 0.000) 1.908 10.675 ( 0.000 -8.669 0.000) 8.669 10.728 ( 0.000 -4.980 0.000) 4.980 10.782 ( 0.000 -7.782 0.000) 7.782 10.993 ( 0.000 1.130 0.000) 1.130 11.083 ( 0.000 0.400 0.000) 0.400 11.233 ( 0.000 -3.992 0.000) 3.992 11.245 ( 0.000 -1.383 0.000) 1.383 11.506 ( 0.000 3.027 0.000) 3.027 11.552 ( 0.000 2.586 0.000) 2.586 11.622 ( 0.000 -0.634 0.000) 0.634 11.682 ( 0.000 -3.097 0.000) 3.097 11.898 ( 0.000 -1.629 0.000) 1.629 12.079 ( 0.000 -6.919 0.000) 6.919 12.086 ( 0.000 2.383 0.000) 2.383 12.226 ( 0.000 -4.150 0.000) 4.150 12.896 ( 0.000 2.413 0.000) 2.413 12.918 ( 0.000 1.909 0.000) 1.909 13.092 ( 0.000 0.730 0.000) 0.730 13.177 ( 0.000 -2.335 0.000) 2.335 13.925 ( 0.000 0.971 0.000) 0.971 13.926 ( 0.000 1.288 0.000) 1.288 14.193 ( 0.000 2.373 0.000) 2.373 14.235 ( 0.000 0.980 0.000) 0.980 14.426 ( 0.000 -0.317 0.000) 0.317 14.427 ( 0.000 -0.262 0.000) 0.262 14.501 ( 0.000 0.269 0.000) 0.269 14.515 ( 0.000 -0.179 0.000) 0.179 15.376 ( 0.000 0.993 0.000) 0.993 15.386 ( 0.000 0.509 0.000) 0.509 15.413 ( 0.000 0.467 0.000) 0.467 15.421 ( 0.000 0.120 0.000) 0.120 16.167 ( 0.000 1.704 0.000) 1.704 16.177 ( 0.000 1.016 0.000) 1.016 16.219 ( 0.000 -1.428 0.000) 1.428 16.240 ( 0.000 -1.994 0.000) 1.994 16.467 ( 0.000 3.720 0.000) 3.720 16.497 ( 0.000 2.210 0.000) 2.210 16.624 ( 0.000 -4.219 0.000) 4.219 16.654 ( 0.000 -4.568 0.000) 4.568 17.549 ( 0.000 -1.123 0.000) 1.123 17.579 ( 0.000 0.464 0.000) 0.464 17.630 ( 0.000 -4.722 0.000) 4.722 17.634 ( 0.000 -1.740 0.000) 1.740 18.226 ( 0.000 4.815 0.000) 4.815 18.294 ( 0.000 0.983 0.000) 0.983 18.331 ( 0.000 -0.498 0.000) 0.498 18.398 ( 0.000 -3.301 0.000) 3.301 19.587 ( 0.000 2.617 0.000) 2.617 19.593 ( 0.000 2.601 0.000) 2.601 19.693 ( 0.000 -2.247 0.000) 2.247 19.706 ( 0.000 -2.648 0.000) 2.648 20.742 ( 0.000 -0.975 0.000) 0.975 20.757 ( 0.000 -1.608 0.000) 1.608 21.121 ( 0.000 -0.209 0.000) 0.209 21.133 ( 0.000 -0.895 0.000) 0.895 22.680 ( 0.000 -0.076 0.000) 0.076 22.744 ( 0.000 -3.589 0.000) 3.589 24.221 ( 0.000 -0.296 0.000) 0.296 24.230 ( 0.000 -0.773 0.000) 0.773 25.369 ( 0.000 2.110 0.000) 2.110 25.430 ( 0.000 -0.758 0.000) 0.758 25.905 ( 0.000 1.121 0.000) 1.121 25.962 ( 0.000 -1.537 0.000) 1.537 27.201 ( 0.000 -0.420 0.000) 0.420 27.202 ( 0.000 -0.738 0.000) 0.738 27.267 ( 0.000 -1.058 0.000) 1.058 27.275 ( 0.000 -0.925 0.000) 0.925 27.485 ( 0.000 -0.261 0.000) 0.261 27.490 ( 0.000 -0.234 0.000) 0.234 27.538 ( 0.000 1.915 0.000) 1.915 27.613 ( 0.000 -1.158 0.000) 1.158 28.348 ( 0.000 7.054 0.000) 7.054 28.366 ( 0.000 6.606 0.000) 6.606 28.677 ( 0.000 1.798 0.000) 1.798 28.696 ( 0.000 -0.101 0.000) 0.101 29.469 ( 0.000 5.362 0.000) 5.362 29.520 ( 0.000 3.727 0.000) 3.727 29.582 ( 0.000 8.918 0.000) 8.918 29.667 ( 0.000 -0.577 0.000) 0.577 29.837 ( 0.000 -0.654 0.000) 0.654 29.932 ( 0.000 -0.472 0.000) 0.472 30.009 ( 0.000 -2.756 0.000) 2.756 30.056 ( 0.000 -6.855 0.000) 6.855 30.887 ( 0.000 6.589 0.000) 6.589 31.084 ( 0.000 -1.753 0.000) 1.753 31.161 ( 0.000 0.628 0.000) 0.628 31.241 ( 0.000 -1.667 0.000) 1.667 32.685 ( 0.000 -4.564 0.000) 4.564 32.698 ( 0.000 -3.999 0.000) 3.999 32.787 ( 0.000 -2.734 0.000) 2.734 32.923 ( 0.000 -10.056 0.000) 10.056 33.514 ( 0.000 4.780 0.000) 4.780 33.697 ( 0.000 4.399 0.000) 4.399 33.754 ( 0.000 -6.878 0.000) 6.878 33.923 ( 0.000 -6.897 0.000) 6.897 47.380 ( 0.000 1.330 0.000) 1.330 47.384 ( 0.000 1.081 0.000) 1.081 47.585 ( 0.000 1.463 0.000) 1.463 47.587 ( 0.000 1.346 0.000) 1.346 97.410 ( 0.000 3.316 0.000) 3.316 97.431 ( 0.000 2.461 0.000) 2.461 97.508 ( 0.000 4.662 0.000) 4.662 97.577 ( 0.000 1.014 0.000) 1.014 98.713 ( 0.000 -0.454 0.000) 0.454 98.738 ( 0.000 -1.499 0.000) 1.499 98.931 ( 0.000 -2.417 0.000) 2.417 98.967 ( 0.000 -4.368 0.000) 4.368 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 2.782 7.665 0.584) 8.175 1.995 ( 0.157 8.883 -0.806) 8.921 2.073 ( 0.253 11.883 0.217) 11.887 2.090 ( 0.674 14.115 -2.975) 14.441 2.203 ( 3.815 6.687 -0.297) 7.704 2.314 ( -3.201 11.457 4.237) 12.628 2.365 ( -1.778 4.110 -1.026) 4.594 2.417 ( -2.130 2.300 0.997) 3.290 2.488 ( 0.190 0.244 -3.907) 3.919 2.587 ( 3.119 2.429 -0.872) 4.048 2.666 ( 3.723 5.282 0.457) 6.478 2.772 ( -2.510 0.641 3.536) 4.383 2.830 ( -0.353 1.630 -0.743) 1.826 2.875 ( -3.465 1.792 3.064) 4.960 2.986 ( -1.503 0.096 -1.763) 2.318 3.053 ( 1.693 -1.872 -1.069) 2.741 3.111 ( -2.364 -1.311 0.522) 2.754 3.258 ( -1.914 -2.704 2.094) 3.919 3.321 ( 6.881 5.178 -3.327) 9.232 3.391 ( 1.138 -2.292 -0.941) 2.727 3.495 ( 4.380 -0.670 -1.267) 4.609 3.531 ( -0.787 -2.540 -0.251) 2.671 3.641 ( -2.319 3.979 3.431) 5.743 3.743 ( 0.709 -3.218 -1.944) 3.826 3.794 ( -2.679 2.708 2.599) 4.612 3.809 ( -1.529 -2.715 -1.510) 3.463 3.892 ( 2.351 -4.239 2.850) 5.623 3.954 ( -3.968 0.597 0.492) 4.043 4.009 ( -0.481 -0.331 0.448) 0.736 4.041 ( 4.845 -3.887 -2.542) 6.712 4.172 ( 1.426 0.836 1.838) 2.473 4.198 ( 0.374 -2.092 1.859) 2.823 4.250 ( 2.587 4.251 0.098) 4.977 4.368 ( -6.741 -0.699 -0.927) 6.841 4.500 ( -2.729 0.353 -1.081) 2.957 4.578 ( 1.267 4.700 -4.452) 6.597 4.591 ( -0.400 2.036 0.920) 2.270 4.732 ( 4.744 2.737 -0.176) 5.480 4.764 ( 0.497 2.349 -1.581) 2.875 4.826 ( -0.262 5.718 1.184) 5.845 4.926 ( 1.803 -3.250 -0.288) 3.728 4.978 ( 0.295 -1.422 0.359) 1.496 5.028 ( -1.844 2.117 -0.184) 2.813 5.046 ( 5.594 3.604 -0.045) 6.655 5.116 ( 0.169 2.223 -2.440) 3.306 5.174 ( -0.464 1.167 4.048) 4.238 5.252 ( 2.246 2.148 -0.081) 3.109 5.391 ( 3.760 0.608 0.271) 3.819 5.445 ( 4.851 -0.190 1.824) 5.186 5.498 ( -0.634 2.377 2.164) 3.276 5.525 ( 1.034 2.991 -1.781) 3.632 5.666 ( 0.995 -2.232 -3.283) 4.092 5.692 ( -2.052 5.352 -1.024) 5.823 5.726 ( 0.106 0.133 3.636) 3.640 5.740 ( 0.505 -0.350 -0.008) 0.615 5.846 ( -0.835 -1.940 -1.096) 2.380 6.062 ( -1.426 0.106 -2.020) 2.475 6.164 ( -6.021 -3.859 0.445) 7.166 6.195 ( -2.048 -1.688 1.203) 2.914 6.233 ( -3.222 -3.458 -1.053) 4.843 6.349 ( -4.780 2.433 2.126) 5.770 6.531 ( -1.889 -4.068 -1.120) 4.623 6.616 ( -0.879 1.905 -0.227) 2.111 6.672 ( 1.136 -0.500 0.081) 1.244 7.025 ( -0.480 1.892 0.690) 2.070 7.094 ( 1.547 -0.466 -0.408) 1.666 7.195 ( -1.892 -4.174 -1.112) 4.716 7.249 ( -0.652 -7.182 2.377) 7.594 7.387 ( 0.910 1.196 -0.470) 1.574 7.445 ( 2.815 -1.474 -1.738) 3.622 7.496 ( 2.422 -3.247 -0.165) 4.054 7.568 ( -0.860 -5.701 1.158) 5.880 7.908 ( -6.658 5.744 -0.168) 8.795 8.058 ( -6.733 -1.261 -0.393) 6.861 8.222 ( 7.949 5.186 0.793) 9.524 8.344 ( 5.340 -0.131 -0.237) 5.347 8.900 ( -0.494 -0.582 0.673) 1.017 8.966 ( -0.523 -3.563 -0.386) 3.621 9.158 ( -0.536 -0.522 -2.116) 2.244 9.197 ( 0.613 -1.857 1.035) 2.212 9.469 ( -0.338 4.010 1.272) 4.221 9.488 ( 0.577 2.667 -0.306) 2.746 9.958 ( -3.325 4.872 0.394) 5.912 9.992 ( -2.201 3.832 -0.459) 4.443 10.545 ( -0.494 -2.411 0.533) 2.518 10.646 ( -0.450 -8.493 -1.223) 8.593 10.801 ( 3.932 -4.846 -1.268) 6.368 10.833 ( 5.947 -6.854 1.471) 9.193 11.005 ( 1.214 1.135 0.310) 1.690 11.100 ( 1.474 -0.031 0.562) 1.578 11.198 ( -2.591 -1.799 -0.767) 3.246 11.255 ( -0.071 -3.385 0.252) 3.396 11.492 ( -1.452 3.416 0.077) 3.712 11.526 ( -1.736 2.759 -0.918) 3.386 11.636 ( 0.664 -1.988 1.302) 2.467 11.671 ( -1.018 -3.454 -0.610) 3.652 11.894 ( -0.346 -0.919 0.366) 1.048 12.076 ( -0.825 1.975 -0.879) 2.314 12.083 ( 0.290 -6.781 0.793) 6.833 12.220 ( -0.552 -4.182 -0.179) 4.222 12.906 ( 1.187 2.562 -0.048) 2.824 12.940 ( 1.809 1.282 0.150) 2.222 13.094 ( 0.114 0.782 0.423) 0.896 13.164 ( -1.127 -1.834 -0.991) 2.370 13.914 ( -0.278 1.837 0.672) 1.976 13.948 ( 1.055 0.042 0.879) 1.374 14.172 ( -1.466 2.908 -0.848) 3.365 14.240 ( 0.107 -0.078 -0.590) 0.604 14.417 ( -1.015 0.326 -0.867) 1.374 14.422 ( -0.523 0.082 0.337) 0.628 14.485 ( -0.873 0.679 -0.176) 1.119 14.520 ( 0.165 -0.725 0.976) 1.227 15.361 ( -0.915 1.501 -0.011) 1.758 15.390 ( -0.245 0.640 0.052) 0.687 15.403 ( -0.589 0.312 -0.232) 0.706 15.427 ( 0.248 -0.153 0.250) 0.384 16.082 ( -4.306 1.502 -0.002) 4.560 16.112 ( -4.977 0.742 0.055) 5.032 16.290 ( 5.242 -1.295 0.044) 5.399 16.325 ( 4.589 -2.121 -0.140) 5.057 16.476 ( 0.711 3.350 0.628) 3.481 16.482 ( -1.223 2.364 -0.926) 2.819 16.626 ( -0.065 -4.598 0.145) 4.601 16.652 ( -0.048 -4.777 0.141) 4.780 17.528 ( 0.388 0.878 0.064) 0.962 17.654 ( 4.392 -1.443 0.035) 4.624 17.663 ( 4.160 -2.459 -0.212) 4.837 17.700 ( 6.468 -2.803 0.201) 7.052 18.097 ( -9.665 5.617 -0.300) 11.182 18.277 ( -4.949 -1.418 0.563) 5.179 18.312 ( -1.650 -0.336 0.472) 1.749 18.353 ( -4.287 -1.520 -0.793) 4.617 19.588 ( 0.103 2.959 -0.354) 2.982 19.609 ( 1.495 2.118 0.287) 2.608 19.718 ( 2.185 -2.755 0.244) 3.525 19.726 ( 1.879 -3.039 -0.154) 3.577 20.753 ( 1.036 -0.994 -0.006) 1.436 20.769 ( 1.127 -1.647 0.030) 1.996 21.126 ( 0.504 -0.305 0.208) 0.625 21.135 ( 0.207 -0.775 -0.216) 0.830 22.682 ( 0.144 -0.062 0.021) 0.158 22.745 ( 0.070 -3.499 -0.021) 3.500 24.217 ( -0.314 -0.267 -0.018) 0.413 24.228 ( -0.255 -0.813 0.025) 0.853 25.368 ( -0.060 2.091 0.032) 2.092 25.429 ( -0.137 -0.732 -0.091) 0.750 25.905 ( -0.087 0.970 0.263) 1.009 25.956 ( -0.508 -1.464 -0.238) 1.568 27.196 ( -0.460 -0.550 -0.273) 0.767 27.203 ( -0.042 -0.942 0.209) 0.966 27.253 ( -0.608 -0.098 -0.673) 0.912 27.294 ( 1.211 -1.369 0.909) 2.041 27.485 ( -0.156 -0.029 -0.902) 0.916 27.497 ( 0.841 -0.429 0.501) 1.069 27.543 ( 0.435 1.628 0.488) 1.754 27.612 ( -0.140 -1.049 -0.215) 1.080 28.356 ( 0.773 7.311 -0.063) 7.353 28.378 ( 1.137 6.563 0.049) 6.661 28.665 ( -0.989 2.011 0.027) 2.241 28.693 ( -0.529 0.381 -0.016) 0.652 29.478 ( 1.042 5.167 -0.273) 5.278 29.521 ( 0.168 4.413 -0.475) 4.442 29.572 ( -1.125 6.120 1.416) 6.382 29.673 ( 0.709 1.446 -0.844) 1.818 29.859 ( 1.629 -2.280 1.258) 3.072 29.928 ( -0.425 -0.593 -0.558) 0.918 30.004 ( -0.470 -3.068 -0.602) 3.161 30.045 ( -0.647 -4.941 -0.256) 4.990 30.865 ( -2.198 5.954 1.533) 6.529 30.972 ( -8.022 1.520 -1.174) 8.248 31.173 ( 2.461 2.602 -0.595) 3.630 31.333 ( 4.845 -5.360 0.711) 7.260 32.683 ( 0.014 -4.277 -1.126) 4.423 32.700 ( 0.071 -3.985 1.420) 4.231 32.787 ( -0.067 -3.324 -0.167) 3.329 32.914 ( -0.624 -9.207 -0.428) 9.238 33.540 ( 2.188 2.866 1.854) 4.054 33.668 ( -1.468 0.854 -4.863) 5.151 33.782 ( 1.542 -3.873 4.409) 6.068 33.905 ( -1.650 -6.138 -1.254) 6.478 47.380 ( 0.015 1.378 0.014) 1.378 47.386 ( 0.120 1.032 -0.019) 1.039 47.585 ( 0.018 1.469 0.004) 1.469 47.588 ( 0.069 1.322 0.000) 1.324 97.410 ( -0.004 3.275 0.114) 3.277 97.428 ( -0.278 2.550 -0.161) 2.570 97.506 ( -0.238 4.688 0.208) 4.698 97.566 ( -0.939 1.581 -0.203) 1.849 98.713 ( 0.066 -0.239 -0.060) 0.255 98.740 ( 0.181 -1.313 0.041) 1.326 98.947 ( 1.729 -3.235 0.244) 3.676 98.992 ( 2.072 -5.387 -0.170) 5.774 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.935 5.413 1.029) 6.771 2.010 ( 1.782 11.029 -1.941) 11.339 2.077 ( -0.038 11.551 2.801) 11.886 2.124 ( 3.424 12.718 -5.571) 14.301 2.193 ( -4.898 10.711 -1.117) 11.830 2.295 ( -1.276 3.694 3.804) 5.454 2.360 ( 0.933 8.804 -1.603) 8.997 2.404 ( 3.520 3.904 -0.511) 5.282 2.519 ( 1.349 -2.772 1.031) 3.250 2.587 ( -1.033 2.881 -1.022) 3.227 2.677 ( -2.188 11.759 5.206) 13.045 2.750 ( -0.830 -0.068 -1.596) 1.800 2.806 ( -0.180 1.347 0.552) 1.467 2.898 ( -2.160 -1.607 -0.740) 2.792 2.982 ( 5.694 -4.857 0.175) 7.486 3.026 ( -2.012 0.370 -0.683) 2.157 3.094 ( 0.148 -7.150 1.149) 7.244 3.150 ( -7.681 -2.759 0.363) 8.170 3.397 ( 1.268 0.776 -3.902) 4.175 3.466 ( -1.528 -0.902 -5.801) 6.067 3.501 ( 5.523 -1.659 5.350) 7.866 3.612 ( 2.482 1.257 1.528) 3.174 3.643 ( 3.587 -0.677 -1.949) 4.138 3.725 ( -2.213 -0.525 1.472) 2.710 3.744 ( -1.762 4.090 2.116) 4.930 3.807 ( 1.990 -2.094 -0.721) 2.977 3.894 ( -0.664 -2.201 3.131) 3.884 3.945 ( 1.412 2.199 -0.350) 2.637 3.984 ( -2.115 -2.334 0.072) 3.151 4.096 ( -1.869 -5.227 -1.763) 5.824 4.151 ( -2.165 -1.273 0.511) 2.563 4.214 ( 0.509 -2.585 2.219) 3.444 4.247 ( -3.589 -2.424 2.105) 4.815 4.291 ( -0.106 1.517 -1.670) 2.259 4.468 ( 1.427 2.091 -2.520) 3.572 4.579 ( -0.621 1.404 1.634) 2.242 4.603 ( 1.498 0.397 -5.698) 5.905 4.763 ( 1.206 5.762 -1.323) 6.034 4.815 ( 1.773 4.755 1.590) 5.318 4.870 ( 3.442 1.217 1.523) 3.955 4.939 ( 0.445 2.507 -1.427) 2.919 4.995 ( 1.062 -1.439 -1.447) 2.301 5.043 ( 2.932 4.353 3.639) 6.387 5.113 ( 0.121 4.931 -2.865) 5.704 5.151 ( 2.216 5.806 0.363) 6.225 5.212 ( 5.185 -0.849 1.022) 5.353 5.292 ( 1.960 3.433 1.857) 4.367 5.459 ( 1.917 3.538 2.303) 4.637 5.467 ( -1.652 4.099 -0.381) 4.436 5.512 ( 1.512 0.661 -0.925) 1.892 5.570 ( 2.749 -0.622 0.886) 2.954 5.646 ( -1.013 -0.006 -0.178) 1.028 5.675 ( -0.141 0.322 -0.826) 0.898 5.721 ( -0.974 -0.778 1.308) 1.807 5.753 ( -0.411 -2.868 -2.232) 3.657 5.843 ( 1.281 -3.343 1.885) 4.047 6.002 ( -4.408 -0.787 -4.387) 6.269 6.030 ( -5.605 -2.181 -0.772) 6.063 6.149 ( -2.529 0.537 2.468) 3.574 6.189 ( -1.471 0.012 -0.871) 1.710 6.284 ( -1.099 4.424 1.999) 4.978 6.444 ( -6.153 -0.408 -0.085) 6.167 6.606 ( 0.007 -0.867 -1.494) 1.727 6.706 ( 1.435 -2.070 1.037) 2.724 7.002 ( -1.911 1.350 1.457) 2.756 7.098 ( -0.327 -2.592 -0.531) 2.666 7.157 ( -1.820 -1.728 -2.888) 3.827 7.257 ( 0.796 -6.392 2.812) 7.028 7.419 ( 2.216 1.126 -0.324) 2.507 7.500 ( 2.525 -2.107 -1.398) 3.574 7.536 ( 1.093 -2.237 0.115) 2.493 7.564 ( 0.850 -3.509 0.591) 3.659 7.808 ( -3.224 3.920 -0.167) 5.079 7.928 ( -6.504 -1.656 0.059) 6.712 8.349 ( 4.483 5.694 1.151) 7.338 8.427 ( 3.295 1.753 -0.904) 3.840 8.889 ( -0.681 -2.143 0.616) 2.331 8.955 ( -0.407 -5.257 -0.393) 5.287 9.150 ( 0.019 -0.375 -1.221) 1.277 9.207 ( 0.233 -2.148 0.325) 2.185 9.467 ( -0.096 4.707 0.918) 4.796 9.499 ( 0.494 2.592 -0.013) 2.639 9.896 ( -2.738 4.941 0.284) 5.656 9.941 ( -2.461 3.772 -0.364) 4.519 10.535 ( -0.503 -2.917 0.436) 2.992 10.650 ( 0.578 -9.930 -1.152) 10.013 10.888 ( 5.271 -2.274 0.003) 5.741 10.950 ( 4.639 -5.289 0.810) 7.082 11.037 ( 1.736 0.458 -0.202) 1.807 11.129 ( 0.729 0.185 0.173) 0.772 11.142 ( -2.142 -1.601 -0.204) 2.682 11.235 ( -2.032 -4.225 0.017) 4.689 11.461 ( -1.366 3.842 -0.256) 4.086 11.499 ( -0.935 2.708 -0.056) 2.865 11.641 ( -0.606 -4.269 0.155) 4.314 11.650 ( -0.581 -3.954 -0.047) 3.997 11.890 ( -0.105 0.191 0.415) 0.468 12.057 ( -0.782 1.847 -0.402) 2.045 12.090 ( 0.234 -7.084 0.372) 7.098 12.208 ( -0.508 -4.240 -0.154) 4.273 12.939 ( 2.047 2.092 -0.221) 2.935 12.973 ( 1.247 0.603 0.245) 1.406 13.096 ( 0.049 0.967 0.272) 1.006 13.135 ( -1.558 -0.728 -0.794) 1.895 13.915 ( 0.152 1.997 0.554) 2.078 13.963 ( 0.207 -0.221 1.125) 1.165 14.149 ( -0.647 2.484 -1.222) 2.843 14.235 ( -0.335 -1.132 0.168) 1.192 14.383 ( -1.926 1.813 -1.556) 3.069 14.409 ( -0.739 0.215 -0.058) 0.772 14.486 ( 0.775 0.710 0.444) 1.141 14.523 ( -0.035 -0.809 0.894) 1.206 15.347 ( -0.512 1.887 0.032) 1.955 15.375 ( -0.898 1.423 0.124) 1.687 15.396 ( -0.179 -0.174 -0.355) 0.434 15.429 ( -0.004 -0.467 0.265) 0.537 16.017 ( -2.278 1.677 0.005) 2.829 16.032 ( -3.093 1.312 0.017) 3.360 16.378 ( 3.585 -2.125 0.042) 4.168 16.396 ( 2.778 -2.757 -0.272) 3.923 16.457 ( -1.099 2.509 -0.478) 2.781 16.489 ( 0.404 2.618 0.559) 2.707 16.618 ( -0.545 -5.122 -0.154) 5.154 16.654 ( 0.134 -5.346 0.251) 5.354 17.575 ( 4.479 2.995 -0.010) 5.388 17.747 ( 5.499 -4.179 0.154) 6.908 17.768 ( 5.601 1.179 -0.029) 5.724 17.831 ( 2.251 -1.570 -0.338) 2.765 17.927 ( -2.994 5.535 0.322) 6.301 18.159 ( -6.602 -3.713 -0.056) 7.574 18.223 ( -6.622 -0.228 0.278) 6.632 18.250 ( -6.317 -0.848 -0.320) 6.382 19.591 ( 0.236 3.478 -0.377) 3.506 19.639 ( 1.282 1.700 0.369) 2.161 19.760 ( 1.829 -3.885 -0.111) 4.296 19.766 ( 1.878 -3.565 0.138) 4.032 20.774 ( 0.998 -1.019 -0.015) 1.427 20.793 ( 1.122 -1.740 0.036) 2.071 21.137 ( 0.457 -0.488 0.117) 0.678 21.139 ( 0.208 -0.542 -0.126) 0.594 22.685 ( 0.152 -0.038 0.019) 0.157 22.746 ( 0.064 -3.314 -0.019) 3.314 24.212 ( -0.201 -0.309 -0.006) 0.369 24.221 ( -0.380 -0.789 0.012) 0.876 25.367 ( -0.041 2.032 0.041) 2.033 25.426 ( -0.150 -0.670 -0.097) 0.693 25.903 ( -0.075 0.654 0.264) 0.709 25.945 ( -0.508 -1.309 -0.239) 1.424 27.182 ( -0.729 -0.734 -0.190) 1.052 27.203 ( -0.045 -1.428 0.481) 1.507 27.244 ( -0.215 0.994 -1.086) 1.488 27.322 ( 1.287 -1.721 1.171) 2.447 27.477 ( -0.427 0.866 -1.229) 1.563 27.519 ( 1.114 -1.191 0.886) 1.856 27.554 ( 0.497 1.147 0.410) 1.316 27.606 ( -0.437 -0.675 -0.400) 0.897 28.374 ( 0.962 7.755 -0.057) 7.815 28.403 ( 1.174 6.638 0.017) 6.741 28.646 ( -0.772 2.540 0.067) 2.656 28.676 ( -1.012 1.249 -0.008) 1.607 29.509 ( 1.947 4.538 0.043) 4.938 29.526 ( 0.554 5.115 -0.507) 5.170 29.551 ( -1.076 3.646 0.260) 3.811 29.686 ( 0.520 1.158 0.459) 1.349 29.858 ( -2.057 -3.555 -1.009) 4.229 29.936 ( 1.455 0.694 2.271) 2.785 29.993 ( -0.457 -3.227 -1.779) 3.713 30.042 ( 0.294 -3.192 0.052) 3.206 30.819 ( -2.717 5.626 1.195) 6.361 30.842 ( -4.412 4.883 -1.004) 6.658 31.233 ( 3.326 1.494 -0.343) 3.662 31.386 ( 0.595 -5.335 0.457) 5.387 32.682 ( 0.060 -4.008 -0.623) 4.056 32.704 ( 0.083 -3.483 0.990) 3.622 32.782 ( -0.242 -4.438 -0.374) 4.460 32.906 ( -0.196 -8.482 -0.161) 8.485 33.590 ( 2.221 -0.619 2.040) 3.078 33.639 ( -0.690 -1.368 -3.118) 3.474 33.814 ( 0.951 -2.936 2.730) 4.121 33.863 ( -2.067 -4.085 -1.617) 4.855 47.381 ( 0.159 1.353 0.014) 1.362 47.387 ( -0.030 1.062 -0.019) 1.062 47.585 ( 0.021 1.476 0.005) 1.476 47.589 ( 0.065 1.279 -0.001) 1.281 97.411 ( 0.022 3.175 0.118) 3.177 97.421 ( -0.308 2.757 -0.157) 2.778 97.502 ( -0.210 4.717 0.189) 4.726 97.547 ( -0.848 2.528 -0.179) 2.672 98.716 ( 0.173 0.084 -0.063) 0.202 98.743 ( 0.111 -0.979 0.036) 0.986 98.991 ( 2.446 -5.148 0.086) 5.700 99.026 ( 1.132 -6.705 -0.021) 6.800 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.000 3.114 0.000) 3.114 2.048 ( 0.000 13.074 -0.000) 13.074 2.087 ( 0.000 8.887 0.000) 8.887 2.105 ( -0.000 12.070 0.000) 12.070 2.184 ( 0.000 6.991 -0.000) 6.991 2.239 ( 0.000 9.649 0.000) 9.649 2.407 ( 0.000 6.520 0.000) 6.520 2.440 ( 0.000 4.684 -0.000) 4.684 2.504 ( 0.000 4.637 -0.000) 4.637 2.654 ( 0.000 3.600 -0.000) 3.600 2.655 ( -0.000 6.072 -0.000) 6.072 2.664 ( 0.000 1.237 0.000) 1.237 2.844 ( 0.000 -1.453 0.000) 1.453 2.849 ( -0.000 1.828 -0.000) 1.828 3.028 ( -0.000 -1.576 0.000) 1.576 3.032 ( 0.000 -0.261 -0.000) 0.261 3.070 ( 0.000 -10.618 0.000) 10.618 3.096 ( 0.000 -8.140 0.000) 8.140 3.386 ( -0.000 3.286 0.000) 3.286 3.455 ( -0.000 -0.165 0.000) 0.165 3.566 ( 0.000 -3.735 -0.000) 3.735 3.609 ( 0.000 -2.131 0.000) 2.131 3.681 ( 0.000 -0.609 -0.000) 0.609 3.700 ( 0.000 0.366 -0.000) 0.366 3.782 ( 0.000 0.441 -0.000) 0.441 3.817 ( 0.000 -0.450 0.000) 0.450 3.902 ( -0.000 -0.352 0.000) 0.352 3.930 ( 0.000 -3.639 -0.000) 3.639 3.977 ( -0.000 1.952 0.000) 1.952 4.039 ( 0.000 -1.521 0.000) 1.521 4.149 ( 0.000 3.090 0.000) 3.090 4.205 ( 0.000 -5.667 -0.000) 5.667 4.208 ( -0.000 -3.789 -0.000) 3.789 4.286 ( -0.000 -0.695 -0.000) 0.695 4.505 ( 0.000 3.518 0.000) 3.518 4.566 ( 0.000 -2.216 0.000) 2.216 4.618 ( 0.000 2.239 -0.000) 2.239 4.782 ( 0.000 0.855 0.000) 0.855 4.822 ( -0.000 6.080 0.000) 6.080 4.907 ( 0.000 2.929 0.000) 2.929 4.961 ( 0.000 4.254 -0.000) 4.254 5.000 ( -0.000 -1.096 0.000) 1.096 5.087 ( 0.000 5.677 -0.000) 5.677 5.104 ( 0.000 6.755 0.000) 6.755 5.165 ( 0.000 7.037 -0.000) 7.037 5.274 ( 0.000 0.715 -0.000) 0.715 5.346 ( -0.000 0.451 0.000) 0.451 5.450 ( 0.000 3.772 -0.000) 3.772 5.454 ( 0.000 6.263 0.000) 6.263 5.522 ( 0.000 1.174 -0.000) 1.174 5.600 ( 0.000 -2.796 -0.000) 2.796 5.636 ( 0.000 -1.783 -0.000) 1.783 5.676 ( 0.000 -3.368 -0.000) 3.368 5.706 ( 0.000 -0.889 0.000) 0.889 5.755 ( 0.000 -2.914 -0.000) 2.914 5.849 ( 0.000 -2.128 -0.000) 2.128 5.953 ( 0.000 -0.814 0.000) 0.814 5.966 ( -0.000 -0.667 -0.000) 0.667 6.135 ( 0.000 2.738 0.000) 2.738 6.168 ( -0.000 2.047 -0.000) 2.047 6.311 ( -0.000 1.818 -0.000) 1.818 6.343 ( 0.000 3.715 0.000) 3.715 6.606 ( 0.000 -2.588 0.000) 2.588 6.718 ( 0.000 -2.272 -0.000) 2.272 6.981 ( 0.000 1.154 0.000) 1.154 7.098 ( 0.000 -4.013 -0.000) 4.013 7.128 ( 0.000 -0.441 0.000) 0.441 7.270 ( 0.000 -6.524 -0.000) 6.524 7.448 ( 0.000 0.954 0.000) 0.954 7.517 ( 0.000 -1.530 -0.000) 1.530 7.547 ( -0.000 -0.812 0.000) 0.812 7.580 ( 0.000 -2.687 -0.000) 2.687 7.796 ( -0.000 1.862 0.000) 1.862 7.839 ( 0.000 -1.453 0.000) 1.453 8.391 ( 0.000 6.153 0.000) 6.153 8.460 ( 0.000 2.455 -0.000) 2.455 8.882 ( 0.000 -2.853 -0.000) 2.853 8.951 ( 0.000 -6.204 0.000) 6.204 9.150 ( 0.000 -0.452 0.000) 0.452 9.209 ( 0.000 -2.116 0.000) 2.116 9.467 ( 0.000 5.027 -0.000) 5.027 9.504 ( 0.000 2.517 0.000) 2.517 9.868 ( 0.000 5.019 0.000) 5.019 9.914 ( 0.000 3.810 0.000) 3.810 10.530 ( 0.000 -3.002 0.000) 3.002 10.655 ( 0.000 -10.562 0.000) 10.562 10.977 ( 0.000 -1.219 0.000) 1.219 10.981 ( -0.000 -2.931 -0.000) 2.931 11.030 ( 0.000 0.038 -0.000) 0.038 11.135 ( -0.000 -1.387 0.000) 1.387 11.147 ( 0.000 -0.529 -0.000) 0.529 11.195 ( 0.000 -5.305 0.000) 5.305 11.447 ( 0.000 3.749 0.000) 3.749 11.490 ( 0.000 2.726 -0.000) 2.726 11.629 ( 0.000 -4.800 0.000) 4.800 11.647 ( 0.000 -4.663 -0.000) 4.663 11.890 ( 0.000 0.591 0.000) 0.591 12.049 ( 0.000 1.728 -0.000) 1.728 12.093 ( 0.000 -7.134 -0.000) 7.134 12.203 ( 0.000 -4.268 0.000) 4.268 12.969 ( 0.000 1.147 -0.000) 1.147 12.978 ( -0.000 0.942 0.000) 0.942 13.105 ( -0.000 0.348 -0.000) 0.348 13.109 ( 0.000 0.563 0.000) 0.563 13.917 ( -0.000 1.992 -0.000) 1.992 13.965 ( 0.000 0.103 -0.000) 0.103 14.142 ( 0.000 1.781 0.000) 1.781 14.233 ( 0.000 -1.686 0.000) 1.686 14.359 ( 0.000 2.718 -0.000) 2.718 14.401 ( 0.000 0.251 -0.000) 0.251 14.498 ( 0.000 0.442 -0.000) 0.442 14.522 ( 0.000 -0.509 0.000) 0.509 15.342 ( 0.000 1.952 0.000) 1.952 15.366 ( 0.000 1.657 -0.000) 1.657 15.394 ( 0.000 -0.207 -0.000) 0.207 15.429 ( 0.000 -0.577 0.000) 0.577 15.998 ( 0.000 1.406 -0.000) 1.406 15.999 ( -0.000 1.818 0.000) 1.818 16.417 ( 0.000 -2.650 -0.000) 2.650 16.423 ( 0.000 -2.387 0.000) 2.387 16.443 ( 0.000 1.914 -0.000) 1.914 16.492 ( 0.000 2.551 -0.000) 2.551 16.612 ( 0.000 -5.418 0.000) 5.418 16.656 ( 0.000 -5.592 0.000) 5.592 17.677 ( -0.000 4.112 0.000) 4.112 17.718 ( 0.000 4.764 -0.000) 4.764 17.829 ( -0.000 -2.504 -0.000) 2.504 17.835 ( 0.000 -0.139 0.000) 0.139 18.032 ( -0.000 -0.829 -0.000) 0.829 18.055 ( 0.000 -1.388 0.000) 1.388 18.135 ( -0.000 -1.168 0.000) 1.168 18.150 ( 0.000 -2.602 -0.000) 2.602 19.593 ( 0.000 3.733 0.000) 3.733 19.653 ( 0.000 1.599 -0.000) 1.599 19.779 ( 0.000 -4.342 -0.000) 4.342 19.786 ( 0.000 -3.832 0.000) 3.832 20.785 ( 0.000 -1.026 0.000) 1.026 20.805 ( 0.000 -1.790 -0.000) 1.790 21.140 ( 0.000 -0.459 0.000) 0.459 21.143 ( 0.000 -0.543 -0.000) 0.543 22.686 ( 0.000 -0.027 0.000) 0.027 22.747 ( 0.000 -3.218 0.000) 3.218 24.210 ( 0.000 -0.396 0.000) 0.396 24.217 ( 0.000 -0.709 0.000) 0.709 25.367 ( 0.000 1.993 0.000) 1.993 25.424 ( 0.000 -0.634 0.000) 0.634 25.903 ( 0.000 0.488 0.000) 0.488 25.939 ( 0.000 -1.225 -0.000) 1.225 27.174 ( 0.000 -0.734 0.000) 0.734 27.203 ( 0.000 -1.925 -0.000) 1.925 27.241 ( 0.000 1.665 0.000) 1.665 27.338 ( 0.000 -2.094 -0.000) 2.094 27.470 ( 0.000 1.453 -0.000) 1.453 27.533 ( 0.000 -1.747 0.000) 1.747 27.560 ( 0.000 0.980 0.000) 0.980 27.599 ( 0.000 -0.278 -0.000) 0.278 28.384 ( 0.000 7.968 -0.000) 7.968 28.415 ( 0.000 6.744 0.000) 6.744 28.639 ( 0.000 2.790 -0.000) 2.790 28.665 ( 0.000 1.665 0.000) 1.665 29.529 ( 0.000 5.264 0.000) 5.264 29.537 ( -0.000 2.691 0.000) 2.691 29.539 ( 0.000 4.764 -0.000) 4.764 29.692 ( 0.000 -1.428 0.000) 1.428 29.827 ( 0.000 -0.623 -0.000) 0.623 29.962 ( 0.000 1.821 0.000) 1.821 29.981 ( -0.000 -4.619 -0.000) 4.619 30.047 ( 0.000 -3.324 0.000) 3.324 30.783 ( 0.000 6.791 -0.000) 6.791 30.807 ( 0.000 4.742 0.000) 4.742 31.273 ( 0.000 0.047 0.000) 0.047 31.383 ( -0.000 -3.897 0.000) 3.897 32.683 ( 0.000 -4.000 0.000) 4.000 32.706 ( 0.000 -3.028 -0.000) 3.028 32.780 ( 0.000 -5.027 0.000) 5.027 32.904 ( 0.000 -8.375 0.000) 8.375 33.617 ( 0.000 -2.665 -0.000) 2.665 33.630 ( 0.000 -2.204 0.000) 2.204 33.826 ( 0.000 -2.769 0.000) 2.769 33.837 ( 0.000 -2.534 -0.000) 2.534 47.385 ( -0.000 1.221 -0.000) 1.221 47.385 ( 0.000 1.197 0.000) 1.197 47.586 ( 0.000 1.478 0.000) 1.478 47.590 ( 0.000 1.259 0.000) 1.259 97.411 ( 0.000 3.102 -0.000) 3.102 97.417 ( 0.000 2.890 0.000) 2.890 97.500 ( 0.000 4.713 -0.000) 4.713 97.538 ( 0.000 2.931 0.000) 2.931 98.718 ( 0.000 0.208 0.000) 0.208 98.744 ( 0.000 -0.854 0.000) 0.854 99.024 ( -0.000 -6.311 0.000) 6.311 99.030 ( 0.000 -6.947 0.000) 6.947 ======================= Grid point 35 (21/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 -7.086 0.000) 7.086 1.969 ( 0.000 7.086 0.000) 7.086 2.170 ( 0.000 -1.113 0.000) 1.113 2.170 ( 0.000 1.113 0.000) 1.113 2.345 ( 0.000 -7.474 0.000) 7.474 2.345 ( 0.000 7.474 0.000) 7.474 2.543 ( 0.000 -7.903 0.000) 7.903 2.543 ( 0.000 7.903 0.000) 7.903 2.579 ( 0.000 -0.120 0.000) 0.120 2.579 ( 0.000 0.120 0.000) 0.120 2.668 ( 0.000 -10.414 0.000) 10.414 2.668 ( 0.000 10.414 0.000) 10.414 2.889 ( 0.000 -2.656 0.000) 2.656 2.889 ( 0.000 2.656 0.000) 2.656 3.061 ( 0.000 -2.984 0.000) 2.984 3.061 ( 0.000 2.984 0.000) 2.984 3.183 ( 0.000 -6.375 0.000) 6.375 3.183 ( 0.000 6.375 0.000) 6.375 3.353 ( 0.000 -6.011 0.000) 6.011 3.353 ( 0.000 6.011 0.000) 6.011 3.450 ( 0.000 -4.072 0.000) 4.072 3.450 ( 0.000 4.072 0.000) 4.072 3.658 ( 0.000 -4.931 0.000) 4.931 3.658 ( 0.000 4.931 0.000) 4.931 3.814 ( 0.000 -2.069 0.000) 2.069 3.814 ( 0.000 2.069 0.000) 2.069 3.867 ( 0.000 -3.818 0.000) 3.818 3.867 ( 0.000 3.818 0.000) 3.818 4.034 ( 0.000 -0.039 0.000) 0.039 4.034 ( 0.000 0.039 0.000) 0.039 4.167 ( 0.000 -0.233 0.000) 0.233 4.167 ( 0.000 0.233 0.000) 0.233 4.368 ( 0.000 -5.128 0.000) 5.128 4.368 ( 0.000 5.128 0.000) 5.128 4.559 ( 0.000 -3.096 0.000) 3.096 4.559 ( 0.000 3.096 0.000) 3.096 4.694 ( 0.000 -3.454 0.000) 3.454 4.694 ( 0.000 3.454 0.000) 3.454 4.784 ( 0.000 -0.992 0.000) 0.992 4.784 ( 0.000 0.992 0.000) 0.992 4.938 ( 0.000 -0.671 0.000) 0.671 4.938 ( 0.000 0.671 0.000) 0.671 5.034 ( 0.000 -2.544 0.000) 2.544 5.034 ( 0.000 2.544 0.000) 2.544 5.216 ( 0.000 -2.981 0.000) 2.981 5.216 ( 0.000 2.981 0.000) 2.981 5.304 ( 0.000 -5.965 0.000) 5.965 5.304 ( 0.000 5.965 0.000) 5.965 5.427 ( 0.000 -5.633 0.000) 5.633 5.427 ( 0.000 5.633 0.000) 5.633 5.576 ( 0.000 -2.505 0.000) 2.505 5.576 ( 0.000 2.505 0.000) 2.505 5.766 ( 0.000 -0.059 0.000) 0.059 5.766 ( 0.000 0.059 0.000) 0.059 5.813 ( 0.000 -3.326 0.000) 3.326 5.813 ( 0.000 3.326 0.000) 3.326 6.131 ( 0.000 -5.141 0.000) 5.141 6.131 ( 0.000 5.141 0.000) 5.141 6.181 ( 0.000 -0.961 0.000) 0.961 6.181 ( 0.000 0.961 0.000) 0.961 6.455 ( 0.000 -3.808 0.000) 3.808 6.455 ( 0.000 3.808 0.000) 3.808 6.664 ( 0.000 -1.061 0.000) 1.061 6.664 ( 0.000 1.061 0.000) 1.061 7.088 ( 0.000 -1.668 0.000) 1.668 7.088 ( 0.000 1.668 0.000) 1.668 7.134 ( 0.000 -2.053 0.000) 2.053 7.134 ( 0.000 2.053 0.000) 2.053 7.414 ( 0.000 -0.564 0.000) 0.564 7.414 ( 0.000 0.564 0.000) 0.564 7.459 ( 0.000 -4.377 0.000) 4.377 7.459 ( 0.000 4.377 0.000) 4.377 8.127 ( 0.000 -2.870 0.000) 2.870 8.127 ( 0.000 2.870 0.000) 2.870 8.187 ( 0.000 -4.696 0.000) 4.696 8.187 ( 0.000 4.696 0.000) 4.696 8.926 ( 0.000 -1.725 0.000) 1.725 8.926 ( 0.000 1.725 0.000) 1.725 9.167 ( 0.000 -0.377 0.000) 0.377 9.167 ( 0.000 0.377 0.000) 0.377 9.513 ( 0.000 -0.027 0.000) 0.027 9.513 ( 0.000 0.027 0.000) 0.027 10.054 ( 0.000 -0.151 0.000) 0.151 10.054 ( 0.000 0.151 0.000) 0.151 10.547 ( 0.000 -2.965 0.000) 2.965 10.547 ( 0.000 2.965 0.000) 2.965 10.682 ( 0.000 -1.322 0.000) 1.322 10.682 ( 0.000 1.322 0.000) 1.322 11.052 ( 0.000 -3.616 0.000) 3.616 11.052 ( 0.000 3.616 0.000) 3.616 11.209 ( 0.000 -1.628 0.000) 1.628 11.209 ( 0.000 1.628 0.000) 1.628 11.579 ( 0.000 -3.423 0.000) 3.423 11.579 ( 0.000 3.423 0.000) 3.423 11.614 ( 0.000 -3.404 0.000) 3.404 11.614 ( 0.000 3.404 0.000) 3.404 11.945 ( 0.000 -5.474 0.000) 5.474 11.945 ( 0.000 5.474 0.000) 5.474 12.148 ( 0.000 -3.479 0.000) 3.479 12.148 ( 0.000 3.479 0.000) 3.479 12.930 ( 0.000 -0.699 0.000) 0.699 12.930 ( 0.000 0.699 0.000) 0.699 13.127 ( 0.000 -2.352 0.000) 2.352 13.127 ( 0.000 2.352 0.000) 2.352 13.937 ( 0.000 -0.122 0.000) 0.122 13.937 ( 0.000 0.122 0.000) 0.122 14.231 ( 0.000 -1.200 0.000) 1.200 14.231 ( 0.000 1.200 0.000) 1.200 14.423 ( 0.000 -0.047 0.000) 0.047 14.423 ( 0.000 0.047 0.000) 0.047 14.509 ( 0.000 -0.398 0.000) 0.398 14.509 ( 0.000 0.398 0.000) 0.398 15.388 ( 0.000 -0.264 0.000) 0.264 15.388 ( 0.000 0.264 0.000) 0.264 15.420 ( 0.000 -0.188 0.000) 0.188 15.420 ( 0.000 0.188 0.000) 0.188 16.195 ( 0.000 -0.750 0.000) 0.750 16.195 ( 0.000 0.750 0.000) 0.750 16.203 ( 0.000 -1.561 0.000) 1.561 16.203 ( 0.000 1.561 0.000) 1.561 16.545 ( 0.000 -3.576 0.000) 3.576 16.545 ( 0.000 3.576 0.000) 3.576 16.561 ( 0.000 -4.212 0.000) 4.212 16.561 ( 0.000 4.212 0.000) 4.212 17.554 ( 0.000 -1.746 0.000) 1.746 17.554 ( 0.000 1.746 0.000) 1.746 17.604 ( 0.000 -1.130 0.000) 1.130 17.604 ( 0.000 1.130 0.000) 1.130 18.306 ( 0.000 -0.960 0.000) 0.960 18.306 ( 0.000 0.960 0.000) 0.960 18.327 ( 0.000 -2.326 0.000) 2.326 18.327 ( 0.000 2.326 0.000) 2.326 19.642 ( 0.000 -2.676 0.000) 2.676 19.642 ( 0.000 2.676 0.000) 2.676 19.649 ( 0.000 -2.801 0.000) 2.801 19.649 ( 0.000 2.801 0.000) 2.801 20.736 ( 0.000 -0.416 0.000) 0.416 20.736 ( 0.000 0.416 0.000) 0.416 21.121 ( 0.000 -0.290 0.000) 0.290 21.121 ( 0.000 0.290 0.000) 0.290 22.693 ( 0.000 -1.469 0.000) 1.469 22.693 ( 0.000 1.469 0.000) 1.469 24.220 ( 0.000 -0.216 0.000) 0.216 24.220 ( 0.000 0.216 0.000) 0.216 25.407 ( 0.000 -1.544 0.000) 1.544 25.407 ( 0.000 1.544 0.000) 1.544 25.932 ( 0.000 -1.397 0.000) 1.397 25.932 ( 0.000 1.397 0.000) 1.397 27.196 ( 0.000 -0.046 0.000) 0.046 27.196 ( 0.000 0.046 0.000) 0.046 27.261 ( 0.000 -0.340 0.000) 0.340 27.261 ( 0.000 0.340 0.000) 0.340 27.484 ( 0.000 -0.198 0.000) 0.198 27.484 ( 0.000 0.198 0.000) 0.198 27.580 ( 0.000 -1.968 0.000) 1.968 27.580 ( 0.000 1.968 0.000) 1.968 28.432 ( 0.000 -0.590 0.000) 0.590 28.432 ( 0.000 0.590 0.000) 0.590 28.690 ( 0.000 -0.200 0.000) 0.200 28.690 ( 0.000 0.200 0.000) 0.200 29.544 ( 0.000 -1.600 0.000) 1.600 29.544 ( 0.000 1.600 0.000) 1.600 29.669 ( 0.000 -0.199 0.000) 0.199 29.669 ( 0.000 0.199 0.000) 0.199 29.890 ( 0.000 -6.631 0.000) 6.631 29.890 ( 0.000 6.631 0.000) 6.631 29.966 ( 0.000 -2.851 0.000) 2.851 29.966 ( 0.000 2.851 0.000) 2.851 31.009 ( 0.000 -4.961 0.000) 4.961 31.009 ( 0.000 4.961 0.000) 4.961 31.203 ( 0.000 -2.224 0.000) 2.224 31.203 ( 0.000 2.224 0.000) 2.224 32.647 ( 0.000 -0.704 0.000) 0.704 32.647 ( 0.000 0.704 0.000) 0.704 32.786 ( 0.000 -3.102 0.000) 3.102 32.786 ( 0.000 3.102 0.000) 3.102 33.623 ( 0.000 -5.820 0.000) 5.820 33.623 ( 0.000 5.820 0.000) 5.820 33.797 ( 0.000 -5.429 0.000) 5.429 33.797 ( 0.000 5.429 0.000) 5.429 47.395 ( 0.000 -0.092 0.000) 0.092 47.395 ( 0.000 0.092 0.000) 0.092 47.601 ( 0.000 -0.050 0.000) 0.050 47.601 ( 0.000 0.050 0.000) 0.050 97.451 ( 0.000 -0.533 0.000) 0.533 97.451 ( 0.000 0.533 0.000) 0.533 97.572 ( 0.000 -1.584 0.000) 1.584 97.572 ( 0.000 1.584 0.000) 1.584 98.716 ( 0.000 -0.644 0.000) 0.644 98.716 ( 0.000 0.644 0.000) 0.644 98.913 ( 0.000 -0.830 0.000) 0.830 98.913 ( 0.000 0.830 0.000) 0.830 ======================= Grid point 37 (22/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 1.098 -6.034 0.130) 6.134 1.979 ( 1.098 6.034 0.130) 6.134 2.201 ( 2.547 -2.866 -2.438) 4.543 2.201 ( 2.547 2.866 -2.438) 4.543 2.354 ( 0.215 -4.239 2.921) 5.152 2.354 ( 0.215 4.239 2.921) 5.152 2.507 ( -1.500 -3.025 -0.106) 3.378 2.507 ( -1.500 3.025 -0.106) 3.378 2.545 ( -1.283 -8.189 -2.272) 8.595 2.545 ( -1.283 8.189 -2.272) 8.595 2.728 ( 3.290 -6.686 0.444) 7.464 2.728 ( 3.290 6.686 0.444) 7.464 2.872 ( -2.836 -1.922 2.131) 4.035 2.872 ( -2.836 1.923 2.131) 4.035 3.007 ( -3.087 -2.819 -0.317) 4.193 3.007 ( -3.087 2.819 -0.317) 4.193 3.157 ( -2.942 -5.956 1.413) 6.792 3.157 ( -2.942 5.956 1.413) 6.792 3.385 ( 1.715 -2.333 -4.918) 5.707 3.385 ( 1.715 2.333 -4.918) 5.707 3.492 ( 4.831 -1.675 1.555) 5.344 3.492 ( 4.831 1.675 1.555) 5.344 3.694 ( 1.391 -2.113 -1.048) 2.738 3.694 ( 1.391 2.113 -1.048) 2.738 3.754 ( -2.322 -5.418 1.972) 6.216 3.754 ( -2.322 5.418 1.972) 6.216 3.911 ( 2.231 -3.200 0.057) 3.901 3.911 ( 2.231 3.200 0.057) 3.901 4.018 ( -1.765 -1.381 1.664) 2.791 4.018 ( -1.765 1.381 1.664) 2.791 4.161 ( -1.179 -0.838 1.506) 2.088 4.161 ( -1.179 0.838 1.506) 2.088 4.332 ( -2.429 -2.928 -2.021) 4.308 4.332 ( -2.429 2.928 -2.021) 4.308 4.557 ( -0.904 -3.885 -1.482) 4.255 4.557 ( -0.904 3.885 -1.482) 4.255 4.681 ( -1.153 -5.121 2.189) 5.687 4.681 ( -1.153 5.121 2.189) 5.687 4.826 ( 5.192 -3.101 -4.142) 7.330 4.826 ( 5.192 3.101 -4.142) 7.330 4.938 ( 0.396 -2.655 1.234) 2.954 4.938 ( 0.396 2.655 1.234) 2.955 5.075 ( 3.436 -0.384 0.637) 3.515 5.075 ( 3.436 0.384 0.637) 3.515 5.206 ( -1.231 -1.926 1.381) 2.671 5.206 ( -1.231 1.926 1.381) 2.671 5.326 ( 3.340 -5.687 -0.788) 6.642 5.326 ( 3.340 5.687 -0.788) 6.642 5.491 ( 4.491 -2.887 1.661) 5.591 5.491 ( 4.491 2.887 1.661) 5.591 5.587 ( 1.196 -3.555 -2.391) 4.448 5.587 ( 1.196 3.555 -2.391) 4.448 5.734 ( -2.909 -1.729 2.511) 4.214 5.734 ( -2.909 1.729 2.511) 4.214 5.802 ( -1.438 -3.027 -1.514) 3.678 5.802 ( -1.438 3.027 -1.514) 3.678 6.084 ( -4.058 -2.453 -0.924) 4.831 6.084 ( -4.058 2.453 -0.924) 4.831 6.177 ( -0.542 -1.193 0.892) 1.585 6.177 ( -0.542 1.193 0.892) 1.585 6.432 ( -2.296 -4.953 0.192) 5.463 6.432 ( -2.296 4.953 0.192) 5.463 6.654 ( -0.667 -1.464 -0.454) 1.671 6.654 ( -0.667 1.464 -0.454) 1.671 7.099 ( -1.203 -4.747 0.296) 4.906 7.099 ( -1.203 4.747 0.296) 4.906 7.125 ( 0.785 -3.125 0.191) 3.228 7.125 ( 0.785 3.125 0.191) 3.228 7.428 ( 1.289 -1.188 -0.822) 1.936 7.428 ( 1.289 1.188 -0.822) 1.936 7.472 ( 1.602 -2.446 0.616) 2.989 7.472 ( 1.602 2.446 0.616) 2.989 8.006 ( -7.149 -3.713 -0.223) 8.059 8.006 ( -7.149 3.713 -0.223) 8.059 8.312 ( 7.315 -3.092 0.218) 7.945 8.312 ( 7.315 3.092 0.218) 7.945 8.911 ( -1.394 -1.628 0.051) 2.144 8.911 ( -1.394 1.628 0.051) 2.144 9.166 ( -0.005 -1.078 -0.396) 1.148 9.166 ( -0.005 1.078 -0.396) 1.148 9.516 ( 0.339 -0.368 0.340) 0.604 9.516 ( 0.339 0.368 0.340) 0.604 10.023 ( -2.861 -1.055 0.025) 3.049 10.023 ( -2.861 1.055 0.025) 3.049 10.529 ( -1.096 -2.109 -0.034) 2.377 10.529 ( -1.096 2.109 -0.034) 2.377 10.751 ( 5.947 -0.668 -0.310) 5.993 10.751 ( 5.947 0.668 -0.310) 5.993 11.063 ( 0.988 -3.679 0.226) 3.816 11.063 ( 0.988 3.679 0.226) 3.816 11.199 ( -1.058 -2.226 0.053) 2.465 11.199 ( -1.058 2.226 0.053) 2.465 11.566 ( -1.207 -2.613 -0.207) 2.886 11.566 ( -1.207 2.613 -0.207) 2.886 11.602 ( -1.162 -2.431 0.157) 2.699 11.602 ( -1.162 2.431 0.157) 2.699 11.948 ( 0.279 -5.514 0.337) 5.531 11.948 ( 0.279 5.514 0.337) 5.531 12.139 ( -0.798 -3.655 -0.310) 3.754 12.139 ( -0.798 3.655 -0.310) 3.754 12.943 ( 1.231 -0.899 0.169) 1.534 12.943 ( 1.231 0.900 0.169) 1.534 13.125 ( -0.215 -1.907 -0.359) 1.952 13.125 ( -0.215 1.907 -0.359) 1.952 13.941 ( 0.247 -0.824 0.757) 1.146 13.941 ( 0.247 0.824 0.757) 1.146 14.220 ( -0.954 -1.719 -0.991) 2.202 14.220 ( -0.954 1.719 -0.991) 2.202 14.421 ( -0.334 -0.203 0.290) 0.487 14.421 ( -0.334 0.203 0.290) 0.487 14.503 ( -0.388 -0.911 0.122) 0.997 14.503 ( -0.388 0.911 0.122) 0.998 15.386 ( -0.222 -0.855 -0.233) 0.913 15.386 ( -0.222 0.855 -0.233) 0.913 15.415 ( -0.440 -0.771 0.253) 0.923 15.415 ( -0.440 0.771 0.253) 0.923 16.110 ( -4.249 -0.959 0.002) 4.356 16.110 ( -4.249 0.959 0.002) 4.356 16.289 ( 4.324 -1.111 -0.032) 4.465 16.289 ( 4.324 1.111 -0.032) 4.465 16.539 ( -0.631 -2.873 -0.400) 2.969 16.539 ( -0.631 2.873 -0.400) 2.969 16.560 ( -0.114 -3.634 0.411) 3.659 16.560 ( -0.114 3.634 0.411) 3.659 17.572 ( 2.488 -3.452 0.066) 4.256 17.572 ( 2.488 3.452 0.066) 4.256 17.669 ( 5.881 -0.932 -0.058) 5.955 17.669 ( 5.881 0.932 -0.058) 5.955 18.204 ( -7.657 -4.721 -0.021) 8.995 18.204 ( -7.657 4.721 -0.021) 8.995 18.327 ( -2.501 -1.121 0.025) 2.741 18.327 ( -2.501 1.121 0.025) 2.741 19.652 ( 1.015 -2.383 -0.446) 2.628 19.652 ( 1.015 2.383 -0.446) 2.628 19.664 ( 1.358 -1.938 0.445) 2.408 19.664 ( 1.358 1.938 0.445) 2.408 20.747 ( 1.052 -0.443 0.015) 1.141 20.747 ( 1.052 0.443 0.015) 1.141 21.125 ( 0.373 -0.215 -0.011) 0.430 21.125 ( 0.373 0.215 -0.011) 0.430 22.695 ( 0.153 -1.458 -0.009) 1.467 22.695 ( 0.153 1.458 -0.009) 1.467 24.217 ( -0.291 -0.249 0.006) 0.384 24.217 ( -0.291 0.249 0.006) 0.384 25.406 ( -0.099 -1.524 0.000) 1.527 25.406 ( -0.099 1.524 0.000) 1.527 25.928 ( -0.338 -1.273 -0.003) 1.317 25.928 ( -0.338 1.273 -0.003) 1.317 27.191 ( -0.444 -0.157 -0.035) 0.472 27.191 ( -0.444 0.157 -0.035) 0.472 27.266 ( 0.567 -1.208 -0.075) 1.336 27.266 ( 0.567 1.208 -0.075) 1.336 27.488 ( 0.306 -0.320 0.272) 0.519 27.488 ( 0.306 0.320 0.272) 0.519 27.581 ( 0.136 -1.836 -0.150) 1.847 27.581 ( 0.136 1.836 -0.150) 1.847 28.443 ( 1.088 -0.676 -0.013) 1.281 28.443 ( 1.088 0.676 -0.013) 1.281 28.686 ( -0.437 -0.671 0.008) 0.801 28.686 ( -0.437 0.671 0.008) 0.801 29.548 ( 0.393 -1.401 0.051) 1.456 29.548 ( 0.393 1.401 0.051) 1.456 29.665 ( -0.508 -3.088 -0.074) 3.130 29.665 ( -0.508 3.088 -0.074) 3.130 29.883 ( -0.557 -5.009 0.092) 5.040 29.883 ( -0.557 5.009 0.092) 5.040 29.975 ( 0.857 -2.214 -0.075) 2.376 29.975 ( 0.857 2.214 -0.075) 2.376 30.960 ( -3.976 -2.784 -0.235) 4.860 30.960 ( -3.976 2.784 -0.235) 4.860 31.241 ( 2.943 -3.830 0.298) 4.839 31.241 ( 2.943 3.830 0.298) 4.839 32.648 ( 0.082 -0.733 0.037) 0.738 32.648 ( 0.082 0.733 0.037) 0.738 32.783 ( -0.216 -3.135 -0.120) 3.145 32.783 ( -0.216 3.135 -0.120) 3.145 33.616 ( -0.589 -4.231 -0.024) 4.272 33.616 ( -0.589 4.231 -0.024) 4.272 33.799 ( 0.223 -3.983 0.046) 3.989 33.799 ( 0.223 3.983 0.046) 3.989 47.396 ( 0.067 -0.149 -0.001) 0.164 47.396 ( 0.067 0.149 -0.001) 0.164 47.601 ( 0.035 -0.063 0.001) 0.072 47.601 ( 0.035 0.063 0.001) 0.072 97.450 ( -0.117 -0.453 0.010) 0.468 97.450 ( -0.117 0.453 0.010) 0.468 97.569 ( -0.327 -1.421 -0.016) 1.458 97.569 ( -0.327 1.421 -0.016) 1.458 98.719 ( 0.348 -0.734 -0.008) 0.813 98.719 ( 0.348 0.734 -0.008) 0.813 98.924 ( 1.027 -1.131 0.015) 1.528 98.924 ( 1.027 1.131 0.015) 1.528 ======================= Grid point 39 (23/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 1.555 -4.863 0.621) 5.143 2.008 ( 1.555 4.863 0.621) 5.143 2.229 ( 0.803 -4.084 -3.594) 5.499 2.229 ( 0.803 4.084 -3.594) 5.499 2.356 ( -0.111 -1.420 1.827) 2.317 2.356 ( -0.111 1.420 1.828) 2.317 2.501 ( -1.961 -8.425 -1.156) 8.727 2.501 ( -1.961 8.426 -1.156) 8.728 2.548 ( 3.656 -2.444 1.521) 4.653 2.548 ( 3.656 2.444 1.521) 4.653 2.772 ( 2.022 -3.973 -0.233) 4.464 2.772 ( 2.022 3.973 -0.233) 4.464 2.840 ( -0.730 -2.159 1.612) 2.791 2.840 ( -0.730 2.159 1.612) 2.791 2.952 ( -2.615 -4.477 1.481) 5.392 2.952 ( -2.615 4.477 1.481) 5.392 3.075 ( -5.139 -4.288 -0.465) 6.710 3.075 ( -5.139 4.288 -0.465) 6.710 3.404 ( 2.006 -2.829 -5.939) 6.878 3.404 ( 2.006 2.829 -5.939) 6.878 3.562 ( -1.287 -4.645 3.135) 5.750 3.562 ( -1.287 4.645 3.135) 5.750 3.688 ( 2.643 -5.379 -0.346) 6.003 3.688 ( 2.643 5.379 -0.346) 6.003 3.785 ( 1.821 -3.305 1.315) 3.996 3.785 ( 1.821 3.305 1.315) 3.996 3.903 ( -2.967 -4.613 1.022) 5.579 3.903 ( -2.967 4.613 1.022) 5.579 3.994 ( -0.251 -3.114 0.134) 3.127 3.994 ( -0.251 3.114 0.134) 3.127 4.150 ( 0.310 -2.008 1.599) 2.585 4.150 ( 0.310 2.008 1.599) 2.585 4.280 ( -3.018 -2.220 -1.335) 3.977 4.280 ( -3.018 2.220 -1.335) 3.977 4.532 ( -0.139 -3.643 -1.717) 4.029 4.532 ( -0.139 3.643 -1.717) 4.029 4.689 ( 1.276 -5.565 -0.618) 5.743 4.689 ( 1.276 5.565 -0.618) 5.743 4.916 ( 2.651 -2.474 1.412) 3.891 4.916 ( 2.651 2.474 1.412) 3.891 4.960 ( 2.401 -3.341 -1.817) 4.498 4.960 ( 2.401 3.341 -1.817) 4.498 5.154 ( 3.887 -3.320 1.000) 5.209 5.154 ( 3.887 3.320 1.000) 5.209 5.206 ( 1.272 -1.762 -0.108) 2.176 5.206 ( 1.272 1.762 -0.108) 2.176 5.395 ( 3.198 -6.140 1.345) 7.053 5.395 ( 3.198 6.140 1.345) 7.053 5.552 ( 0.833 -1.351 0.213) 1.601 5.552 ( 0.833 1.351 0.212) 1.601 5.590 ( -1.688 -3.646 -1.574) 4.315 5.590 ( -1.688 3.646 -1.574) 4.315 5.695 ( -0.663 -0.145 1.700) 1.831 5.695 ( -0.663 0.145 1.700) 1.831 5.763 ( -1.175 -4.167 -0.367) 4.345 5.763 ( -1.175 4.167 -0.367) 4.345 5.999 ( -3.872 -0.884 -2.235) 4.557 5.999 ( -3.872 0.884 -2.235) 4.557 6.176 ( 0.140 -1.634 1.956) 2.553 6.176 ( 0.140 1.635 1.956) 2.553 6.385 ( -2.037 -4.858 -0.354) 5.279 6.385 ( -2.037 4.858 -0.354) 5.279 6.639 ( -0.908 -3.555 -0.270) 3.679 6.639 ( -0.908 3.555 -0.270) 3.679 7.052 ( -2.597 -2.549 0.713) 3.709 7.052 ( -2.597 2.549 0.713) 3.709 7.148 ( 0.837 -2.453 -0.449) 2.631 7.148 ( 0.837 2.453 -0.449) 2.631 7.457 ( 1.820 -2.183 0.063) 2.843 7.457 ( 1.820 2.183 0.063) 2.843 7.517 ( 2.496 -0.647 -0.305) 2.596 7.517 ( 2.496 0.647 -0.305) 2.596 7.881 ( -5.504 -2.972 0.072) 6.256 7.881 ( -5.504 2.972 0.072) 6.256 8.430 ( 4.578 -1.829 0.117) 4.932 8.430 ( 4.578 1.829 0.117) 4.932 8.881 ( -1.500 -1.602 -0.040) 2.195 8.881 ( -1.500 1.602 -0.040) 2.195 9.166 ( 0.063 -1.583 -0.299) 1.612 9.166 ( 0.063 1.583 -0.299) 1.612 9.525 ( 0.373 -0.587 0.318) 0.765 9.525 ( 0.373 0.588 0.318) 0.765 9.965 ( -2.595 -1.416 0.014) 2.957 9.965 ( -2.595 1.416 0.014) 2.957 10.516 ( -0.333 -2.423 -0.077) 2.447 10.516 ( -0.333 2.423 -0.077) 2.447 10.873 ( 6.071 -1.455 -0.220) 6.247 10.873 ( 6.071 1.455 -0.220) 6.247 11.082 ( 0.613 -3.369 -0.138) 3.428 11.082 ( 0.613 3.369 -0.138) 3.428 11.169 ( -1.860 -2.588 0.418) 3.214 11.169 ( -1.860 2.588 0.418) 3.214 11.542 ( -1.006 -2.968 -0.188) 3.139 11.542 ( -1.006 2.968 -0.188) 3.139 11.576 ( -1.381 -2.243 0.110) 2.636 11.576 ( -1.381 2.243 0.110) 2.636 11.954 ( 0.254 -5.516 0.274) 5.529 11.954 ( 0.254 5.516 0.274) 5.529 12.122 ( -0.726 -3.991 -0.227) 4.063 12.122 ( -0.726 3.991 -0.227) 4.063 12.971 ( 1.332 -0.867 0.021) 1.590 12.971 ( 1.332 0.867 0.021) 1.590 13.118 ( -0.418 -1.023 -0.234) 1.130 13.118 ( -0.418 1.023 -0.234) 1.130 13.948 ( 0.242 -1.194 0.812) 1.463 13.948 ( 0.242 1.194 0.812) 1.463 14.198 ( -0.938 -2.230 -0.858) 2.567 14.198 ( -0.938 2.230 -0.858) 2.567 14.408 ( -0.913 -0.560 -0.313) 1.116 14.408 ( -0.913 0.560 -0.313) 1.116 14.503 ( 0.347 -1.002 0.529) 1.185 14.503 ( 0.347 1.002 0.529) 1.185 15.380 ( -0.287 -1.257 -0.219) 1.308 15.380 ( -0.287 1.257 -0.219) 1.308 15.407 ( -0.436 -1.480 0.241) 1.561 15.407 ( -0.436 1.480 0.241) 1.561 16.043 ( -2.485 -0.490 -0.013) 2.533 16.043 ( -2.485 0.490 -0.013) 2.533 16.358 ( 2.731 -0.592 -0.011) 2.795 16.358 ( 2.732 0.592 -0.011) 2.795 16.523 ( -0.821 -3.720 -0.403) 3.831 16.523 ( -0.821 3.720 -0.403) 3.831 16.559 ( -0.053 -3.767 0.420) 3.791 16.559 ( -0.053 3.767 0.420) 3.791 17.653 ( 5.747 -4.452 0.041) 7.270 17.653 ( 5.747 4.452 0.041) 7.270 17.796 ( 5.916 -1.552 -0.085) 6.117 17.796 ( 5.916 1.552 -0.085) 6.117 18.053 ( -6.654 -6.016 0.039) 8.971 18.053 ( -6.655 6.016 0.039) 8.971 18.233 ( -6.763 -0.786 0.000) 6.808 18.233 ( -6.763 0.786 0.000) 6.808 19.673 ( 0.988 -4.179 -0.304) 4.305 19.673 ( 0.988 4.179 -0.304) 4.305 19.693 ( 1.306 -3.139 0.303) 3.413 19.693 ( 1.306 3.139 0.303) 3.413 20.769 ( 1.030 -0.512 0.013) 1.150 20.769 ( 1.030 0.512 0.013) 1.150 21.132 ( 0.348 -0.071 -0.008) 0.355 21.132 ( 0.348 0.071 -0.008) 0.355 22.698 ( 0.155 -1.432 -0.009) 1.440 22.698 ( 0.155 1.432 -0.009) 1.440 24.211 ( -0.297 -0.227 0.006) 0.374 24.211 ( -0.297 0.227 0.006) 0.374 25.404 ( -0.099 -1.472 0.001) 1.475 25.404 ( -0.099 1.472 0.001) 1.475 25.921 ( -0.332 -1.023 -0.005) 1.075 25.921 ( -0.332 1.023 -0.005) 1.075 27.181 ( -0.561 -0.556 -0.024) 0.790 27.181 ( -0.561 0.556 -0.024) 0.790 27.279 ( 0.673 -2.154 -0.105) 2.259 27.279 ( 0.673 2.154 -0.105) 2.259 27.495 ( 0.355 -0.995 0.329) 1.106 27.495 ( 0.355 0.995 0.329) 1.106 27.583 ( 0.086 -1.426 -0.188) 1.441 27.583 ( 0.086 1.426 -0.188) 1.441 28.468 ( 1.249 -0.797 -0.031) 1.483 28.468 ( 1.249 0.797 -0.031) 1.483 28.675 ( -0.579 -0.793 0.037) 0.983 28.675 ( -0.579 0.793 0.037) 0.983 29.560 ( 0.871 -0.464 -0.012) 0.987 29.560 ( 0.871 0.464 -0.012) 0.987 29.647 ( -1.228 -4.396 -0.008) 4.565 29.647 ( -1.228 4.396 -0.008) 4.565 29.876 ( -0.123 -4.311 0.078) 4.314 29.876 ( -0.123 4.311 0.078) 4.314 29.992 ( 0.748 -1.941 -0.081) 2.082 29.992 ( 0.748 1.941 -0.081) 2.082 30.888 ( -2.986 -0.665 -0.161) 3.063 30.888 ( -2.986 0.665 -0.161) 3.063 31.290 ( 1.839 -3.874 0.229) 4.294 31.290 ( 1.839 3.874 0.229) 4.294 32.650 ( 0.090 -0.930 0.038) 0.935 32.650 ( 0.090 0.930 0.038) 0.935 32.778 ( -0.212 -3.448 -0.110) 3.456 32.778 ( -0.212 3.448 -0.110) 3.456 33.605 ( -0.533 -1.662 -0.054) 1.746 33.605 ( -0.533 1.662 -0.054) 1.746 33.804 ( 0.181 -1.562 0.065) 1.574 33.804 ( 0.181 1.562 0.065) 1.574 47.397 ( 0.066 -0.133 -0.001) 0.149 47.397 ( 0.066 0.133 -0.001) 0.149 47.602 ( 0.034 -0.087 0.001) 0.093 47.602 ( 0.034 0.087 0.001) 0.093 97.447 ( -0.115 -0.279 0.007) 0.302 97.447 ( -0.115 0.279 0.007) 0.302 97.562 ( -0.317 -1.108 -0.011) 1.152 97.562 ( -0.317 1.108 -0.011) 1.153 98.727 ( 0.344 -0.763 -0.010) 0.837 98.727 ( 0.344 0.763 -0.010) 0.837 98.945 ( 1.009 -0.932 0.016) 1.374 98.945 ( 1.009 0.932 0.016) 1.374 ======================= Grid point 41 (24/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 0.000 -4.607 0.000) 4.607 2.026 ( 0.000 4.607 -0.000) 4.607 2.230 ( 0.000 -0.683 0.000) 0.683 2.230 ( 0.000 0.683 -0.000) 0.683 2.358 ( 0.000 -3.349 -0.000) 3.349 2.358 ( 0.000 3.350 0.000) 3.350 2.474 ( 0.000 -9.386 0.000) 9.386 2.474 ( -0.000 9.386 0.000) 9.386 2.605 ( 0.000 -0.508 -0.000) 0.508 2.605 ( 0.000 0.508 -0.000) 0.508 2.789 ( 0.000 -7.671 0.000) 7.671 2.789 ( -0.000 7.672 -0.000) 7.672 2.844 ( 0.000 -0.690 0.000) 0.690 2.844 ( 0.000 0.690 0.000) 0.690 2.925 ( 0.000 -8.190 0.000) 8.190 2.925 ( -0.000 8.190 -0.000) 8.190 3.009 ( 0.000 -0.179 -0.000) 0.179 3.009 ( 0.000 0.179 0.000) 0.179 3.435 ( -0.000 -1.260 0.000) 1.260 3.435 ( 0.000 1.260 -0.000) 1.260 3.522 ( -0.000 -1.668 0.000) 1.668 3.522 ( 0.000 1.668 -0.000) 1.668 3.726 ( 0.000 -0.204 -0.000) 0.204 3.726 ( 0.000 0.205 -0.000) 0.205 3.794 ( -0.000 -0.489 0.000) 0.489 3.794 ( -0.000 0.489 0.000) 0.489 3.879 ( 0.000 -0.609 -0.000) 0.609 3.879 ( 0.000 0.610 -0.000) 0.610 3.996 ( 0.000 -1.511 -0.000) 1.511 3.996 ( -0.000 1.511 0.000) 1.511 4.158 ( 0.000 -0.786 0.000) 0.786 4.158 ( 0.000 0.786 0.000) 0.786 4.237 ( 0.000 -3.931 -0.000) 3.931 4.237 ( 0.000 3.932 -0.000) 3.932 4.539 ( 0.000 -0.860 0.000) 0.860 4.539 ( 0.000 0.860 0.000) 0.860 4.702 ( 0.000 -4.733 -0.000) 4.733 4.702 ( 0.000 4.733 0.000) 4.733 4.935 ( 0.000 -0.350 0.000) 0.350 4.935 ( 0.000 0.350 -0.000) 0.350 4.993 ( 0.000 -0.769 0.000) 0.769 4.993 ( 0.000 0.769 -0.000) 0.769 5.195 ( 0.000 -1.255 0.000) 1.255 5.195 ( 0.000 1.255 0.000) 1.255 5.227 ( 0.000 -1.711 -0.000) 1.711 5.227 ( 0.000 1.711 -0.000) 1.711 5.446 ( 0.000 -7.018 0.000) 7.018 5.446 ( -0.000 7.018 -0.000) 7.018 5.527 ( 0.000 -1.604 0.000) 1.604 5.527 ( -0.000 1.604 -0.000) 1.604 5.556 ( 0.000 -0.083 -0.000) 0.083 5.556 ( 0.000 0.083 0.000) 0.083 5.698 ( 0.000 -0.434 -0.000) 0.434 5.698 ( 0.000 0.434 0.000) 0.434 5.769 ( 0.000 -5.326 0.000) 5.326 5.769 ( 0.000 5.326 0.000) 5.326 5.950 ( 0.000 -0.485 0.000) 0.485 5.950 ( 0.000 0.485 -0.000) 0.485 6.181 ( 0.000 -0.991 0.000) 0.991 6.181 ( 0.000 0.991 0.000) 0.991 6.365 ( -0.000 -2.349 -0.000) 2.349 6.365 ( 0.000 2.349 0.000) 2.349 6.627 ( 0.000 -5.074 0.000) 5.074 6.627 ( 0.000 5.074 -0.000) 5.074 7.024 ( 0.000 -2.889 0.000) 2.889 7.024 ( 0.000 2.889 -0.000) 2.889 7.155 ( 0.000 -3.759 0.000) 3.759 7.155 ( 0.000 3.759 -0.000) 3.759 7.480 ( 0.000 -1.948 -0.000) 1.948 7.480 ( 0.000 1.948 0.000) 1.948 7.545 ( 0.000 -0.677 -0.000) 0.677 7.545 ( 0.000 0.677 0.000) 0.677 7.821 ( -0.000 -0.738 0.000) 0.738 7.821 ( 0.000 0.739 0.000) 0.739 8.476 ( 0.000 -1.521 -0.000) 1.521 8.476 ( 0.000 1.521 0.000) 1.521 8.864 ( 0.000 -1.610 -0.000) 1.610 8.864 ( 0.000 1.610 0.000) 1.610 9.167 ( 0.000 -1.675 0.000) 1.675 9.167 ( 0.000 1.675 -0.000) 1.675 9.529 ( 0.000 -0.630 -0.000) 0.630 9.529 ( 0.000 0.630 -0.000) 0.630 9.938 ( 0.000 -1.460 0.000) 1.460 9.938 ( 0.000 1.460 0.000) 1.460 10.513 ( 0.000 -2.642 -0.000) 2.642 10.513 ( 0.000 2.642 0.000) 2.642 10.944 ( -0.000 -0.133 0.000) 0.133 10.944 ( 0.000 0.133 0.000) 0.133 11.082 ( 0.000 -3.998 -0.000) 3.998 11.082 ( -0.000 3.998 0.000) 3.998 11.148 ( 0.000 -0.192 -0.000) 0.192 11.148 ( 0.000 0.192 -0.000) 0.192 11.532 ( 0.000 -4.552 0.000) 4.552 11.532 ( 0.000 4.552 -0.000) 4.552 11.560 ( 0.000 -3.807 0.000) 3.807 11.560 ( 0.000 3.807 -0.000) 3.807 11.957 ( 0.000 -5.504 -0.000) 5.504 11.957 ( 0.000 5.504 -0.000) 5.504 12.114 ( 0.000 -4.148 0.000) 4.148 12.114 ( 0.000 4.148 0.000) 4.148 12.985 ( 0.000 -0.284 0.000) 0.284 12.985 ( 0.000 0.285 0.000) 0.285 13.112 ( 0.000 -0.210 0.000) 0.210 13.112 ( 0.000 0.210 -0.000) 0.210 13.951 ( 0.000 -1.262 -0.000) 1.262 13.951 ( 0.000 1.262 0.000) 1.262 14.188 ( 0.000 -2.463 0.000) 2.463 14.188 ( 0.000 2.463 0.000) 2.463 14.397 ( 0.000 -0.936 -0.000) 0.936 14.397 ( 0.000 0.936 -0.000) 0.936 14.509 ( 0.000 -0.671 0.000) 0.671 14.509 ( 0.000 0.671 0.000) 0.671 15.377 ( 0.000 -1.347 -0.000) 1.347 15.377 ( 0.000 1.347 0.000) 1.347 15.402 ( 0.000 -1.757 -0.000) 1.757 15.402 ( 0.000 1.757 0.000) 1.757 16.019 ( 0.000 -0.145 0.000) 0.145 16.019 ( 0.000 0.145 0.000) 0.145 16.386 ( 0.000 -0.076 0.000) 0.076 16.386 ( 0.000 0.077 0.000) 0.077 16.513 ( 0.000 -4.137 0.000) 4.137 16.513 ( 0.000 4.137 0.000) 4.137 16.559 ( 0.000 -3.915 -0.000) 3.915 16.559 ( 0.000 3.915 0.000) 3.915 17.758 ( 0.000 -3.409 0.000) 3.409 17.758 ( 0.000 3.409 -0.000) 3.409 17.807 ( -0.000 -2.596 -0.000) 2.596 17.807 ( 0.000 2.596 0.000) 2.596 18.030 ( 0.000 -0.659 -0.000) 0.659 18.030 ( -0.000 0.659 0.000) 0.659 18.122 ( 0.000 -0.159 0.000) 0.159 18.122 ( 0.000 0.159 0.000) 0.159 19.683 ( 0.000 -4.770 0.000) 4.770 19.683 ( 0.000 4.770 0.000) 4.770 19.707 ( 0.000 -3.486 0.000) 3.486 19.707 ( 0.000 3.486 -0.000) 3.486 20.780 ( 0.000 -0.554 0.000) 0.554 20.780 ( 0.000 0.554 -0.000) 0.554 21.136 ( 0.000 -0.058 0.000) 0.058 21.136 ( 0.000 0.058 -0.000) 0.058 22.700 ( 0.000 -1.416 0.000) 1.416 22.700 ( 0.000 1.416 0.000) 1.416 24.208 ( 0.000 -0.160 -0.000) 0.160 24.208 ( 0.000 0.161 0.000) 0.161 25.402 ( 0.000 -1.440 0.000) 1.440 25.402 ( 0.000 1.440 -0.000) 1.440 25.917 ( 0.000 -0.897 0.000) 0.897 25.917 ( 0.000 0.897 -0.000) 0.897 27.174 ( 0.000 -0.743 -0.000) 0.743 27.174 ( 0.000 0.743 0.000) 0.743 27.286 ( 0.000 -2.599 -0.000) 2.599 27.286 ( 0.000 2.599 0.000) 2.599 27.499 ( 0.000 -1.468 -0.000) 1.468 27.499 ( 0.000 1.468 0.000) 1.468 27.584 ( 0.000 -1.117 0.000) 1.117 27.584 ( 0.000 1.117 -0.000) 1.117 28.482 ( 0.000 -0.828 -0.000) 0.828 28.482 ( 0.000 0.828 0.000) 0.828 28.669 ( 0.000 -0.658 -0.000) 0.658 28.669 ( 0.000 0.658 0.000) 0.658 29.573 ( -0.000 -0.538 0.000) 0.538 29.573 ( 0.000 0.538 0.000) 0.538 29.631 ( 0.000 -4.075 0.000) 4.075 29.631 ( 0.000 4.075 0.000) 4.075 29.876 ( 0.000 -4.646 -0.000) 4.646 29.876 ( 0.000 4.646 0.000) 4.646 29.999 ( 0.000 -1.901 -0.000) 1.901 29.999 ( 0.000 1.901 0.000) 1.901 30.857 ( 0.000 -0.358 -0.000) 0.358 30.857 ( 0.000 0.358 0.000) 0.358 31.308 ( 0.000 -3.020 0.000) 3.020 31.308 ( 0.000 3.020 -0.000) 3.020 32.651 ( 0.000 -1.055 -0.000) 1.055 32.651 ( 0.000 1.055 0.000) 1.055 32.776 ( 0.000 -3.650 -0.000) 3.650 32.776 ( 0.000 3.650 0.000) 3.650 33.599 ( 0.000 -0.593 -0.000) 0.593 33.599 ( 0.000 0.593 0.000) 0.593 33.806 ( 0.000 -0.467 0.000) 0.467 33.806 ( 0.000 0.467 0.000) 0.467 47.398 ( 0.000 -0.021 0.000) 0.021 47.398 ( 0.000 0.021 -0.000) 0.021 47.602 ( 0.000 -0.098 0.000) 0.098 47.602 ( 0.000 0.098 0.000) 0.098 97.446 ( 0.000 -0.180 -0.000) 0.180 97.446 ( 0.000 0.180 0.000) 0.180 97.559 ( 0.000 -0.953 -0.000) 0.953 97.559 ( 0.000 0.953 0.000) 0.953 98.730 ( 0.000 -0.729 -0.000) 0.729 98.730 ( 0.000 0.729 0.000) 0.729 98.956 ( 0.000 -0.068 0.000) 0.068 98.956 ( 0.000 0.068 0.000) 0.068 ======================= Grid point 77 (25/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 1.567 0.000 26.043) 26.090 0.621 ( 0.204 0.000 30.513) 30.513 0.986 ( 4.962 0.000 44.341) 44.617 1.043 ( 0.138 0.000 -25.493) 25.494 1.242 ( -1.909 0.000 -26.371) 26.440 1.818 ( -6.127 0.000 -30.028) 30.647 2.017 ( 4.378 0.000 12.260) 13.018 2.129 ( -5.460 0.000 2.353) 5.945 2.229 ( -4.945 0.000 6.124) 7.871 2.344 ( 1.354 0.000 19.400) 19.447 2.355 ( 2.623 0.000 1.828) 3.197 2.403 ( 0.888 0.000 -2.033) 2.219 2.617 ( 4.339 0.000 -5.251) 6.812 2.655 ( 0.821 0.000 1.825) 2.001 2.719 ( 0.409 0.000 -4.192) 4.212 2.745 ( -7.434 0.000 -5.383) 9.178 2.864 ( -1.368 0.000 -12.234) 12.310 2.897 ( 7.720 0.000 -8.866) 11.756 3.018 ( -2.472 0.000 -1.639) 2.967 3.061 ( -1.099 0.000 -3.557) 3.723 3.196 ( 5.178 0.000 5.492) 7.549 3.232 ( -10.100 0.000 3.398) 10.656 3.378 ( 1.107 0.000 4.165) 4.309 3.443 ( 4.275 0.000 -0.978) 4.385 3.810 ( 1.035 0.000 0.320) 1.083 3.817 ( -4.135 0.000 -0.482) 4.163 3.832 ( -0.919 0.000 4.406) 4.501 3.889 ( 1.453 0.000 -0.408) 1.510 3.989 ( 4.381 0.000 2.511) 5.049 4.083 ( -0.915 0.000 -6.768) 6.830 4.094 ( 1.445 0.000 0.171) 1.456 4.131 ( -0.631 0.000 -3.240) 3.301 4.250 ( 2.239 0.000 2.254) 3.177 4.257 ( -1.262 0.000 1.089) 1.667 4.378 ( -0.100 0.000 5.146) 5.147 4.486 ( 0.244 0.000 -4.391) 4.398 4.611 ( 1.674 0.000 12.292) 12.405 4.696 ( -1.885 0.000 -0.124) 1.889 4.777 ( 0.477 0.000 3.007) 3.045 4.803 ( -3.269 0.000 -0.683) 3.340 4.828 ( -0.342 0.000 -1.373) 1.415 4.946 ( 5.448 0.000 -9.308) 10.785 5.091 ( -6.098 0.000 2.176) 6.474 5.116 ( 6.586 0.000 1.516) 6.758 5.118 ( 5.035 0.000 0.442) 5.054 5.182 ( -4.686 0.000 -4.950) 6.817 5.288 ( 3.801 0.000 0.043) 3.801 5.315 ( -5.039 0.000 -2.395) 5.579 5.440 ( -4.437 0.000 3.386) 5.582 5.471 ( -2.098 0.000 9.571) 9.798 5.503 ( 0.391 0.000 -2.115) 2.151 5.661 ( 2.596 0.000 -7.341) 7.786 5.707 ( -0.667 0.000 3.563) 3.625 5.779 ( 1.368 0.000 -3.021) 3.316 5.781 ( 2.463 0.000 5.880) 6.374 5.930 ( -4.987 0.000 -9.340) 10.588 6.293 ( 0.096 0.000 4.274) 4.275 6.341 ( -13.878 0.000 6.895) 15.496 6.383 ( -8.273 0.000 -1.756) 8.458 6.447 ( 10.166 0.000 -3.392) 10.717 6.492 ( 0.694 0.000 -2.915) 2.996 6.500 ( -5.753 0.000 -1.353) 5.910 6.753 ( -7.038 0.000 5.175) 8.735 6.832 ( 4.762 0.000 -2.540) 5.397 7.116 ( -0.408 0.000 2.180) 2.218 7.179 ( 0.569 0.000 -3.900) 3.941 7.380 ( -1.558 0.000 2.711) 3.127 7.413 ( 0.440 0.000 -0.986) 1.080 7.537 ( -4.522 0.000 2.345) 5.094 7.562 ( 0.672 0.000 2.774) 2.855 7.618 ( 12.255 0.000 -2.002) 12.418 7.670 ( -2.129 0.000 -4.556) 5.029 7.920 ( 1.666 0.000 2.621) 3.106 7.969 ( -0.573 0.000 -2.069) 2.147 8.104 ( 1.282 0.000 0.493) 1.374 8.114 ( -1.437 0.000 -0.455) 1.507 8.829 ( 0.066 0.000 2.261) 2.262 8.888 ( -0.196 0.000 -3.407) 3.413 9.105 ( -0.111 0.000 2.166) 2.169 9.135 ( 0.306 0.000 -0.791) 0.848 9.393 ( 17.165 0.000 0.130) 17.165 9.411 ( -3.124 0.000 -1.572) 3.498 9.511 ( 7.638 0.000 0.736) 7.673 9.513 ( -5.967 0.000 0.652) 6.002 10.475 ( 2.455 0.000 5.440) 5.968 10.610 ( -2.834 0.000 -7.202) 7.740 11.052 ( 1.954 0.000 7.795) 8.036 11.205 ( -5.859 0.000 -6.585) 8.814 11.320 ( 3.903 0.000 0.736) 3.972 11.340 ( -7.290 0.000 -1.222) 7.391 11.437 ( 2.328 0.000 4.070) 4.689 11.538 ( -2.677 0.000 -5.376) 6.005 11.710 ( -2.361 0.000 2.356) 3.336 11.740 ( 2.051 0.000 -1.078) 2.317 11.747 ( 5.055 0.000 3.123) 5.942 11.814 ( -3.807 0.000 -2.702) 4.668 12.206 ( 0.440 0.000 4.742) 4.763 12.306 ( -0.363 0.000 -4.560) 4.575 12.564 ( 5.006 0.000 0.956) 5.096 12.584 ( -2.670 0.000 -0.918) 2.823 12.798 ( 2.215 0.000 3.241) 3.925 12.864 ( -1.666 0.000 -2.778) 3.239 13.236 ( -0.784 0.000 0.873) 1.174 13.256 ( 0.756 0.000 -0.894) 1.171 13.803 ( 3.333 0.000 1.142) 3.523 13.831 ( -4.682 0.000 -1.449) 4.901 13.884 ( 3.935 0.000 1.038) 4.070 13.903 ( -2.468 0.000 -0.756) 2.581 14.438 ( -0.331 0.000 2.557) 2.578 14.494 ( 0.408 0.000 -2.497) 2.530 14.668 ( 2.819 0.000 0.952) 2.976 14.688 ( -1.050 0.000 -0.860) 1.358 15.213 ( -0.066 0.000 0.064) 0.092 15.215 ( 0.127 0.000 -0.122) 0.176 15.240 ( -1.372 0.000 0.953) 1.670 15.260 ( 5.016 0.000 -0.908) 5.098 16.109 ( 2.245 0.000 1.134) 2.515 16.134 ( -8.235 0.000 -1.199) 8.322 16.350 ( 0.392 0.000 0.450) 0.597 16.360 ( -0.224 0.000 -0.534) 0.579 16.406 ( 0.137 0.000 0.096) 0.167 16.407 ( -0.314 0.000 0.071) 0.322 16.945 ( 0.060 0.000 0.367) 0.372 16.953 ( -0.142 0.000 -0.377) 0.403 17.700 ( -3.081 0.000 1.852) 3.595 17.731 ( 4.499 0.000 0.112) 4.500 17.731 ( 3.047 0.000 -0.233) 3.056 17.743 ( -2.447 0.000 -1.710) 2.985 18.161 ( -0.149 0.000 0.273) 0.311 18.169 ( 0.195 0.000 -0.435) 0.477 18.381 ( -2.307 0.000 1.078) 2.547 18.402 ( 3.833 0.000 -0.891) 3.935 19.460 ( -12.308 0.000 0.041) 12.308 19.463 ( 3.615 0.000 -0.232) 3.623 19.726 ( 0.168 0.000 0.413) 0.446 19.733 ( -0.115 0.000 -0.262) 0.286 20.910 ( -1.045 0.000 1.098) 1.516 20.933 ( 2.497 0.000 -1.070) 2.716 21.095 ( 0.028 0.000 1.771) 1.772 21.135 ( -0.047 0.000 -1.795) 1.796 23.235 ( -14.329 0.000 0.119) 14.329 23.237 ( 4.578 0.000 -0.089) 4.579 24.307 ( -0.791 0.000 1.549) 1.740 24.341 ( 0.755 0.000 -1.535) 1.711 25.269 ( 0.505 0.000 3.756) 3.789 25.364 ( -0.663 0.000 -5.017) 5.061 25.922 ( 1.021 0.000 5.416) 5.512 26.027 ( -0.983 0.000 -4.352) 4.461 27.237 ( 1.399 0.000 2.252) 2.652 27.291 ( -2.299 0.000 -2.871) 3.678 27.402 ( 1.928 0.000 1.739) 2.596 27.407 ( -0.375 0.000 0.187) 0.419 27.421 ( 0.054 0.000 0.416) 0.420 27.447 ( -0.943 0.000 -1.006) 1.379 27.488 ( -0.449 0.000 0.761) 0.884 27.521 ( 0.576 0.000 -2.620) 2.683 27.660 ( -4.732 0.000 3.519) 5.897 27.722 ( 2.421 0.000 -2.414) 3.419 27.997 ( -2.543 0.000 1.330) 2.870 28.024 ( 6.455 0.000 -1.098) 6.548 28.971 ( -0.153 0.000 1.017) 1.028 28.997 ( -0.930 0.000 -1.339) 1.631 29.076 ( -1.883 0.000 0.869) 2.074 29.091 ( 1.152 0.000 -0.613) 1.305 29.980 ( -1.595 0.000 1.620) 2.274 30.012 ( 1.572 0.000 -1.358) 2.078 30.452 ( -2.391 0.000 0.090) 2.393 30.453 ( 2.518 0.000 0.061) 2.518 30.933 ( 35.691 0.000 3.664) 35.879 31.024 ( -10.941 0.000 -4.636) 11.882 31.581 ( -2.542 0.000 1.728) 3.074 31.613 ( 9.887 0.000 -1.222) 9.962 33.147 ( 1.144 0.000 1.245) 1.691 33.169 ( -0.710 0.000 -0.712) 1.006 33.269 ( -7.633 0.000 1.332) 7.749 33.318 ( 0.379 0.000 -3.480) 3.501 33.687 ( 11.773 0.000 7.846) 14.148 33.848 ( -30.910 0.000 -7.373) 31.777 34.277 ( -1.713 0.000 3.502) 3.898 34.338 ( 0.523 0.000 -2.245) 2.305 47.239 ( 1.116 0.000 0.304) 1.157 47.245 ( -0.382 0.000 -0.300) 0.486 47.436 ( -0.089 0.000 0.357) 0.368 47.443 ( 0.088 0.000 -0.362) 0.372 96.965 ( -0.960 0.000 -0.005) 0.960 96.965 ( -0.448 0.000 -0.005) 0.448 97.100 ( -0.324 0.000 0.133) 0.350 97.103 ( 0.313 0.000 -0.125) 0.337 98.837 ( -1.068 0.000 1.043) 1.492 98.860 ( 1.160 0.000 -1.072) 1.580 99.351 ( 33.626 0.000 0.272) 33.627 99.357 ( -10.378 0.000 -0.252) 10.381 ======================= Grid point 78 (26/60) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 5.902 0.000 19.180) 20.068 0.744 ( 10.469 0.000 15.262) 18.507 1.194 ( 14.104 0.000 -11.458) 18.172 1.272 ( 10.149 0.000 -21.034) 23.354 1.462 ( 26.805 0.000 31.767) 41.565 1.766 ( 5.703 0.000 -24.948) 25.591 2.071 ( -0.088 0.000 -2.412) 2.413 2.085 ( -3.141 0.000 9.576) 10.078 2.182 ( -5.514 0.000 7.436) 9.257 2.380 ( 2.121 0.000 -1.331) 2.504 2.394 ( 0.251 0.000 7.251) 7.256 2.410 ( 0.757 0.000 2.367) 2.486 2.607 ( -4.083 0.000 0.978) 4.199 2.644 ( -0.691 0.000 -12.194) 12.213 2.719 ( 4.467 0.000 3.078) 5.425 2.831 ( 8.934 0.000 -3.610) 9.636 2.877 ( 4.400 0.000 -11.156) 11.993 2.939 ( -1.679 0.000 0.932) 1.921 3.016 ( -0.670 0.000 -0.496) 0.834 3.132 ( 14.843 0.000 -3.949) 15.359 3.177 ( 6.338 0.000 1.392) 6.489 3.304 ( 8.168 0.000 4.797) 9.473 3.469 ( 4.642 0.000 0.539) 4.673 3.670 ( 14.805 0.000 -0.908) 14.833 3.707 ( -6.143 0.000 1.292) 6.277 3.814 ( -0.072 0.000 0.776) 0.779 3.871 ( 4.045 0.000 2.530) 4.771 3.927 ( 2.495 0.000 -0.156) 2.500 4.000 ( -4.226 0.000 6.663) 7.890 4.048 ( -1.600 0.000 -5.248) 5.486 4.082 ( -0.882 0.000 0.761) 1.165 4.138 ( 2.365 0.000 -8.673) 8.989 4.286 ( 1.093 0.000 2.093) 2.362 4.305 ( 2.625 0.000 -4.073) 4.846 4.407 ( 1.997 0.000 4.678) 5.087 4.485 ( 0.604 0.000 -3.787) 3.835 4.597 ( -6.686 0.000 0.920) 6.749 4.616 ( -7.016 0.000 1.584) 7.193 4.704 ( -0.214 0.000 11.348) 11.350 4.827 ( -1.019 0.000 -3.119) 3.281 4.830 ( -1.788 0.000 0.514) 1.860 4.992 ( -0.473 0.000 -7.808) 7.822 5.036 ( 1.111 0.000 -2.733) 2.950 5.047 ( -4.021 0.000 -2.815) 4.908 5.159 ( -3.244 0.000 -0.244) 3.253 5.163 ( -3.939 0.000 1.004) 4.065 5.234 ( -2.553 0.000 1.692) 3.063 5.336 ( -0.744 0.000 2.238) 2.358 5.403 ( 2.716 0.000 0.233) 2.726 5.424 ( 2.059 0.000 5.135) 5.533 5.573 ( 3.594 0.000 1.468) 3.882 5.685 ( 1.748 0.000 -4.145) 4.499 5.726 ( 2.824 0.000 3.204) 4.271 5.810 ( 0.857 0.000 -4.951) 5.025 5.848 ( -3.113 0.000 -6.021) 6.778 5.848 ( 1.757 0.000 8.648) 8.825 5.950 ( -6.545 0.000 14.249) 15.680 6.176 ( -8.536 0.000 2.131) 8.798 6.332 ( -9.807 0.000 -3.503) 10.414 6.376 ( -2.894 0.000 -1.290) 3.168 6.536 ( -9.117 0.000 6.001) 10.915 6.580 ( -1.814 0.000 -0.274) 1.834 6.608 ( -1.119 0.000 -0.101) 1.123 6.815 ( -6.418 0.000 -0.222) 6.422 7.078 ( -2.659 0.000 4.202) 4.973 7.227 ( 3.174 0.000 -4.004) 5.109 7.368 ( -3.374 0.000 -0.363) 3.394 7.397 ( 2.992 0.000 3.508) 4.611 7.468 ( -0.955 0.000 0.502) 1.079 7.578 ( -0.033 0.000 4.220) 4.220 7.615 ( -2.132 0.000 -6.116) 6.477 7.846 ( 8.637 0.000 -3.483) 9.313 7.893 ( -2.612 0.000 -3.652) 4.490 7.930 ( -0.293 0.000 1.209) 1.244 8.083 ( -2.379 0.000 -0.435) 2.419 8.106 ( -1.540 0.000 1.254) 1.986 8.862 ( 2.463 0.000 2.037) 3.196 8.905 ( 2.447 0.000 -2.988) 3.862 9.087 ( -1.943 0.000 1.350) 2.365 9.114 ( -2.177 0.000 -0.678) 2.280 9.334 ( -0.382 0.000 -3.717) 3.736 9.443 ( -0.623 0.000 -1.854) 1.956 9.481 ( 0.174 0.000 1.060) 1.074 9.780 ( 4.608 0.000 -7.303) 8.635 10.498 ( -1.475 0.000 6.889) 7.045 10.537 ( -2.409 0.000 -8.432) 8.770 11.105 ( 0.747 0.000 10.532) 10.558 11.198 ( 4.798 0.000 -6.706) 8.246 11.315 ( 1.308 0.000 -7.172) 7.291 11.407 ( 3.890 0.000 5.150) 6.454 11.491 ( -0.059 0.000 -2.911) 2.912 11.532 ( 5.167 0.000 3.098) 6.025 11.662 ( -2.497 0.000 0.370) 2.524 11.685 ( -4.066 0.000 -0.726) 4.131 11.833 ( 3.581 0.000 -4.521) 5.767 11.848 ( 3.843 0.000 4.530) 5.941 12.247 ( 2.526 0.000 3.970) 4.705 12.306 ( 1.125 0.000 -4.391) 4.533 12.527 ( -2.460 0.000 -2.013) 3.179 12.612 ( -0.538 0.000 0.420) 0.682 12.816 ( -0.399 0.000 -1.533) 1.584 12.847 ( 2.184 0.000 2.474) 3.300 13.190 ( -3.998 0.000 0.699) 4.058 13.240 ( -2.223 0.000 -0.827) 2.372 13.742 ( -3.342 0.000 -1.824) 3.807 13.767 ( -4.025 0.000 1.229) 4.209 13.986 ( 7.574 0.000 -0.680) 7.605 13.989 ( 5.443 0.000 0.807) 5.502 14.406 ( -3.281 0.000 2.508) 4.130 14.462 ( -2.674 0.000 -1.767) 3.205 14.580 ( -7.308 0.000 4.657) 8.666 14.597 ( -6.589 0.000 -3.111) 7.286 15.193 ( -2.191 0.000 -0.835) 2.344 15.204 ( -1.070 0.000 -0.320) 1.117 15.237 ( 1.138 0.000 0.637) 1.304 15.298 ( 0.275 0.000 -1.560) 1.584 16.047 ( -1.743 0.000 -0.441) 1.798 16.123 ( -1.193 0.000 2.876) 3.113 16.343 ( -1.014 0.000 -0.153) 1.025 16.364 ( 0.524 0.000 0.264) 0.587 16.475 ( 5.689 0.000 0.531) 5.713 16.483 ( 6.249 0.000 -0.375) 6.260 16.957 ( 0.790 0.000 0.646) 1.021 16.966 ( 1.776 0.000 0.029) 1.777 17.611 ( -5.054 0.000 -0.776) 5.114 17.622 ( -2.760 0.000 -1.010) 2.939 17.870 ( 4.423 0.000 -1.245) 4.595 17.903 ( 8.360 0.000 0.040) 8.360 18.118 ( -4.076 0.000 1.982) 4.532 18.141 ( -3.525 0.000 -1.803) 3.959 18.286 ( -4.290 0.000 -1.283) 4.478 18.291 ( -4.916 0.000 5.955) 7.722 19.567 ( 11.027 0.000 -8.418) 13.873 19.580 ( 4.870 0.000 5.456) 7.313 19.759 ( 2.852 0.000 -0.655) 2.927 19.761 ( 3.258 0.000 1.107) 3.441 20.913 ( 1.169 0.000 1.411) 1.833 21.006 ( 3.554 0.000 -4.828) 5.995 21.107 ( 0.729 0.000 1.784) 1.927 21.139 ( 0.791 0.000 -1.759) 1.928 22.932 ( -11.170 0.000 11.932) 16.344 23.227 ( -5.251 0.000 0.721) 5.301 24.305 ( 0.016 0.000 1.148) 1.148 24.344 ( -0.527 0.000 -1.354) 1.453 25.286 ( 0.331 0.000 4.277) 4.290 25.348 ( 0.213 0.000 -4.693) 4.697 25.964 ( 2.024 0.000 5.214) 5.593 26.007 ( -0.325 0.000 -4.552) 4.564 27.252 ( -1.210 0.000 -2.147) 2.464 27.273 ( 1.508 0.000 3.098) 3.445 27.394 ( -2.435 0.000 -0.246) 2.447 27.405 ( -1.094 0.000 -0.252) 1.123 27.425 ( 0.060 0.000 -2.405) 2.406 27.443 ( 1.210 0.000 2.507) 2.784 27.501 ( 1.784 0.000 -0.175) 1.792 27.533 ( 1.147 0.000 -1.339) 1.763 27.597 ( -2.399 0.000 3.779) 4.476 27.734 ( -1.456 0.000 -0.804) 1.663 27.942 ( -1.739 0.000 -1.928) 2.596 28.036 ( -2.166 0.000 0.260) 2.182 28.985 ( 1.365 0.000 1.558) 2.071 29.012 ( 1.855 0.000 -1.930) 2.677 29.117 ( 4.381 0.000 -0.034) 4.381 29.174 ( 6.365 0.000 0.972) 6.439 29.957 ( -1.167 0.000 0.987) 1.529 30.048 ( 1.316 0.000 -2.400) 2.737 30.240 ( -16.540 0.000 -5.249) 17.353 30.428 ( -3.518 0.000 -0.416) 3.543 30.761 ( -6.336 0.000 -14.295) 15.636 30.834 ( -22.744 0.000 21.079) 31.010 31.539 ( -9.150 0.000 8.176) 12.271 31.614 ( 2.806 0.000 -2.502) 3.759 33.105 ( -3.636 0.000 -0.380) 3.655 33.160 ( -0.210 0.000 0.021) 0.212 33.316 ( 4.924 0.000 -1.249) 5.080 33.343 ( 1.685 0.000 0.211) 1.698 33.859 ( 15.631 0.000 -22.560) 27.446 33.919 ( 5.010 0.000 13.343) 14.252 34.344 ( 6.053 0.000 1.202) 6.171 34.407 ( 5.957 0.000 3.936) 7.140 47.243 ( 0.229 0.000 -0.312) 0.387 47.260 ( 0.590 0.000 -0.568) 0.819 47.437 ( 0.117 0.000 0.379) 0.397 47.447 ( 0.286 0.000 -0.367) 0.465 96.956 ( 0.302 0.000 0.244) 0.388 96.975 ( 0.343 0.000 0.514) 0.618 97.102 ( 0.360 0.000 0.054) 0.364 97.113 ( 0.509 0.000 -0.112) 0.521 98.805 ( -0.625 0.000 1.039) 1.213 98.852 ( -0.556 0.000 -1.172) 1.297 99.361 ( 9.303 0.000 -2.960) 9.762 99.964 ( 17.285 0.000 -21.113) 27.286 ======================= Grid point 79 (27/60) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 13.278 0.000 9.062) 16.076 1.036 ( 15.511 0.000 2.539) 15.718 1.439 ( 12.986 0.000 -6.400) 14.478 1.494 ( 14.929 0.000 -10.197) 18.079 1.754 ( -1.887 0.000 13.199) 13.334 1.789 ( -7.015 0.000 -2.201) 7.352 1.973 ( -14.910 0.000 5.036) 15.738 1.980 ( -1.191 0.000 -0.347) 1.240 2.199 ( 9.964 0.000 2.123) 10.187 2.303 ( -8.482 0.000 -3.253) 9.084 2.351 ( -5.567 0.000 2.710) 6.192 2.544 ( 0.867 0.000 -1.817) 2.013 2.600 ( 9.265 0.000 -6.954) 11.584 2.636 ( 4.900 0.000 -4.360) 6.559 2.831 ( -4.681 0.000 -3.684) 5.957 2.844 ( 2.771 0.000 3.953) 4.827 2.986 ( 9.927 0.000 -5.689) 11.441 3.038 ( 12.003 0.000 6.121) 13.474 3.212 ( 16.014 0.000 -3.924) 16.487 3.283 ( 3.961 0.000 9.637) 10.419 3.475 ( 16.128 0.000 -2.590) 16.334 3.549 ( 14.560 0.000 2.892) 14.844 3.604 ( 13.188 0.000 -3.022) 13.530 3.623 ( -0.954 0.000 1.212) 1.542 3.826 ( 0.705 0.000 1.496) 1.654 3.865 ( 2.260 0.000 -1.918) 2.964 3.905 ( -5.450 0.000 2.861) 6.155 3.964 ( 0.622 0.000 -1.030) 1.203 3.974 ( 2.175 0.000 0.758) 2.303 4.047 ( -1.418 0.000 4.851) 5.054 4.069 ( 6.666 0.000 -2.152) 7.005 4.175 ( 2.893 0.000 -6.481) 7.098 4.293 ( -2.375 0.000 -0.535) 2.434 4.293 ( -1.536 0.000 -3.877) 4.171 4.410 ( -6.587 0.000 -1.165) 6.690 4.441 ( -9.880 0.000 4.550) 10.878 4.448 ( -7.393 0.000 -0.412) 7.405 4.467 ( -4.818 0.000 -3.629) 6.032 4.637 ( -3.855 0.000 3.572) 5.256 4.776 ( -3.446 0.000 0.327) 3.461 4.825 ( 1.720 0.000 12.646) 12.763 4.947 ( -0.574 0.000 -2.287) 2.358 4.989 ( -8.000 0.000 1.734) 8.186 5.080 ( 0.285 0.000 -0.745) 0.798 5.090 ( -1.473 0.000 -9.132) 9.250 5.117 ( 4.565 0.000 -1.251) 4.734 5.162 ( -1.469 0.000 -6.469) 6.634 5.276 ( -7.061 0.000 9.722) 12.016 5.482 ( 3.255 0.000 -1.739) 3.691 5.497 ( 3.985 0.000 -3.483) 5.292 5.663 ( 4.821 0.000 4.435) 6.551 5.706 ( 1.659 0.000 -2.070) 2.653 5.790 ( -0.305 0.000 0.856) 0.909 5.806 ( 1.604 0.000 2.927) 3.338 5.827 ( -1.458 0.000 2.729) 3.094 5.833 ( 0.201 0.000 -2.214) 2.223 5.978 ( 3.640 0.000 3.921) 5.350 6.130 ( 4.303 0.000 1.835) 4.678 6.146 ( -7.834 0.000 -2.408) 8.196 6.305 ( -2.134 0.000 -3.819) 4.375 6.314 ( -11.052 0.000 8.142) 13.727 6.427 ( -10.935 0.000 -3.152) 11.380 6.569 ( -5.496 0.000 -1.636) 5.734 6.625 ( -12.182 0.000 -0.407) 12.189 7.043 ( -2.111 0.000 4.517) 4.986 7.156 ( -5.649 0.000 -3.056) 6.423 7.340 ( 1.216 0.000 0.660) 1.383 7.480 ( 4.509 0.000 0.775) 4.576 7.566 ( -2.169 0.000 -5.836) 6.226 7.572 ( 7.487 0.000 0.772) 7.526 7.573 ( -1.309 0.000 3.501) 3.738 7.792 ( -4.124 0.000 -1.173) 4.288 7.931 ( 0.143 0.000 1.742) 1.748 8.011 ( 5.749 0.000 -4.856) 7.525 8.027 ( -2.549 0.000 -0.594) 2.618 8.065 ( -2.412 0.000 0.899) 2.574 8.916 ( 2.825 0.000 0.912) 2.968 8.959 ( 3.467 0.000 -2.411) 4.223 9.041 ( -2.740 0.000 -0.037) 2.741 9.058 ( -3.500 0.000 0.617) 3.554 9.382 ( 3.733 0.000 1.956) 4.214 9.434 ( -0.006 0.000 -0.617) 0.617 9.492 ( 0.794 0.000 2.231) 2.368 9.758 ( -3.142 0.000 -4.466) 5.460 10.455 ( -3.830 0.000 6.556) 7.593 10.506 ( 0.999 0.000 -9.175) 9.230 11.107 ( -2.489 0.000 12.295) 12.544 11.284 ( 4.224 0.000 -11.377) 12.135 11.312 ( 1.539 0.000 -2.638) 3.054 11.450 ( -0.914 0.000 3.338) 3.461 11.529 ( 3.204 0.000 -0.246) 3.213 11.573 ( -0.575 0.000 0.604) 0.834 11.624 ( -1.331 0.000 -0.449) 1.405 11.664 ( 0.969 0.000 0.017) 0.969 11.895 ( 0.033 0.000 6.157) 6.157 11.901 ( 4.347 0.000 -4.111) 5.983 12.297 ( 1.724 0.000 1.789) 2.485 12.323 ( 1.141 0.000 -3.448) 3.632 12.500 ( 0.198 0.000 -1.315) 1.330 12.568 ( -3.262 0.000 1.574) 3.623 12.855 ( 3.756 0.000 -1.807) 4.168 12.897 ( 2.698 0.000 1.218) 2.960 13.099 ( -5.075 0.000 0.927) 5.159 13.173 ( -4.170 0.000 -1.236) 4.349 13.696 ( -1.235 0.000 -1.137) 1.679 13.705 ( -2.442 0.000 0.704) 2.542 14.082 ( 3.831 0.000 1.560) 4.136 14.121 ( 5.904 0.000 -0.643) 5.939 14.354 ( -1.746 0.000 2.540) 3.082 14.415 ( -1.525 0.000 -0.481) 1.599 14.471 ( -5.140 0.000 -3.725) 6.348 14.472 ( -4.955 0.000 2.555) 5.575 15.154 ( -1.540 0.000 -0.778) 1.725 15.177 ( -1.188 0.000 -1.750) 2.115 15.261 ( 0.996 0.000 1.402) 1.720 15.305 ( 0.363 0.000 -0.235) 0.433 16.024 ( -0.384 0.000 -0.633) 0.740 16.087 ( -2.487 0.000 1.196) 2.760 16.331 ( -0.271 0.000 0.628) 0.684 16.366 ( -0.234 0.000 -0.339) 0.412 16.573 ( 3.620 0.000 1.224) 3.821 16.589 ( 4.336 0.000 -1.078) 4.468 16.981 ( 1.170 0.000 0.991) 1.534 17.001 ( 1.596 0.000 -0.582) 1.698 17.551 ( -1.150 0.000 -0.585) 1.290 17.573 ( -2.313 0.000 -0.111) 2.316 17.879 ( -1.243 0.000 0.569) 1.367 17.967 ( -3.678 0.000 2.036) 4.204 18.103 ( 1.484 0.000 0.554) 1.584 18.105 ( 3.237 0.000 -4.659) 5.673 18.254 ( 0.143 0.000 -0.246) 0.285 18.265 ( -0.514 0.000 2.757) 2.805 19.634 ( 0.362 0.000 5.320) 5.332 19.685 ( 3.877 0.000 -6.303) 7.400 19.822 ( 1.994 0.000 1.954) 2.792 19.825 ( 3.351 0.000 -1.587) 3.708 20.946 ( 1.339 0.000 2.747) 3.056 21.040 ( 1.274 0.000 -4.648) 4.819 21.124 ( 0.572 0.000 1.621) 1.719 21.152 ( 0.656 0.000 -1.200) 1.368 22.842 ( -1.738 0.000 8.067) 8.253 23.099 ( -6.322 0.000 -3.218) 7.094 24.302 ( -0.537 0.000 1.078) 1.205 24.322 ( -0.990 0.000 -1.349) 1.673 25.296 ( -0.172 0.000 4.024) 4.028 25.353 ( 0.995 0.000 -3.847) 3.973 25.999 ( 0.385 0.000 3.423) 3.444 26.003 ( 0.810 0.000 -3.277) 3.376 27.241 ( 0.451 0.000 -0.863) 0.974 27.300 ( 0.543 0.000 2.110) 2.179 27.343 ( -2.312 0.000 0.130) 2.315 27.355 ( -2.775 0.000 -1.275) 3.054 27.447 ( 1.769 0.000 -2.067) 2.721 27.455 ( -0.244 0.000 2.137) 2.150 27.547 ( 2.690 0.000 -0.913) 2.841 27.557 ( 0.978 0.000 0.760) 1.239 27.573 ( -0.606 0.000 1.515) 1.632 27.677 ( -3.385 0.000 -1.353) 3.645 27.940 ( 1.215 0.000 -1.561) 1.978 27.993 ( -2.174 0.000 1.085) 2.430 29.019 ( 1.444 0.000 2.011) 2.476 29.048 ( 2.033 0.000 -1.766) 2.693 29.201 ( 3.824 0.000 0.129) 3.826 29.287 ( 3.926 0.000 0.976) 4.045 29.907 ( -7.157 0.000 -11.344) 13.413 29.919 ( -3.458 0.000 0.331) 3.474 30.150 ( 2.285 0.000 3.073) 3.830 30.347 ( -3.808 0.000 -2.537) 4.576 30.552 ( -11.397 0.000 23.268) 25.909 30.709 ( 1.823 0.000 -13.072) 13.198 31.447 ( -2.535 0.000 5.892) 6.414 31.625 ( -0.777 0.000 -5.269) 5.326 33.065 ( -0.510 0.000 0.340) 0.613 33.135 ( -1.879 0.000 -0.429) 1.928 33.376 ( 1.483 0.000 1.899) 2.410 33.381 ( 2.195 0.000 1.229) 2.516 33.933 ( -3.703 0.000 8.167) 8.968 34.013 ( 5.652 0.000 -18.874) 19.702 34.474 ( 6.839 0.000 -2.097) 7.153 34.499 ( 1.320 0.000 8.276) 8.381 47.250 ( 0.349 0.000 0.053) 0.353 47.264 ( -0.007 0.000 -0.356) 0.356 47.440 ( 0.064 0.000 0.490) 0.494 47.451 ( 0.203 0.000 -0.454) 0.498 96.964 ( 0.411 0.000 0.128) 0.431 96.978 ( -0.075 0.000 0.291) 0.300 97.109 ( 0.254 0.000 0.213) 0.331 97.119 ( 0.207 0.000 -0.415) 0.464 98.816 ( 0.616 0.000 1.853) 1.952 98.846 ( 0.186 0.000 -1.479) 1.491 99.583 ( 11.348 0.000 4.037) 12.045 100.058 ( -0.114 0.000 -11.944) 11.944 ======================= Grid point 80 (28/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -1.228 0.000 6.115) 6.237 1.196 ( -5.484 0.000 -6.378) 8.412 1.527 ( 0.204 0.000 4.822) 4.826 1.646 ( 1.980 0.000 -0.388) 2.017 1.724 ( -8.919 0.000 0.363) 8.927 1.805 ( 13.262 0.000 -2.665) 13.527 1.820 ( 10.318 0.000 7.910) 13.001 1.998 ( 1.556 0.000 -0.284) 1.582 2.092 ( -10.542 0.000 -5.536) 11.908 2.191 ( -5.585 0.000 -7.314) 9.203 2.355 ( 1.757 0.000 12.308) 12.433 2.597 ( -1.375 0.000 -7.503) 7.628 2.611 ( 4.391 0.000 1.803) 4.746 2.670 ( -4.886 0.000 -4.986) 6.981 2.836 ( -3.231 0.000 1.092) 3.410 2.873 ( 7.156 0.000 -2.931) 7.733 3.116 ( -4.082 0.000 1.990) 4.541 3.160 ( 5.970 0.000 -3.392) 6.866 3.365 ( -6.179 0.000 6.322) 8.840 3.418 ( 1.546 0.000 2.431) 2.881 3.661 ( 0.866 0.000 0.473) 0.987 3.672 ( 7.205 0.000 0.239) 7.209 3.801 ( -5.100 0.000 -4.115) 6.554 3.805 ( -2.316 0.000 -4.787) 5.318 3.838 ( -6.855 0.000 3.566) 7.728 3.869 ( 9.429 0.000 1.429) 9.537 3.879 ( 3.544 0.000 3.506) 4.985 3.917 ( 13.047 0.000 2.086) 13.212 3.925 ( -4.908 0.000 -5.204) 7.153 4.010 ( -10.021 0.000 -2.816) 10.409 4.139 ( 4.207 0.000 2.227) 4.760 4.206 ( -0.253 0.000 3.311) 3.321 4.221 ( -5.183 0.000 -4.101) 6.609 4.248 ( -8.988 0.000 5.189) 10.378 4.292 ( 1.104 0.000 -0.426) 1.184 4.311 ( 4.545 0.000 -1.979) 4.957 4.335 ( -0.980 0.000 -2.424) 2.615 4.404 ( 2.922 0.000 -6.816) 7.416 4.664 ( 3.048 0.000 6.327) 7.023 4.732 ( -0.787 0.000 -0.979) 1.256 4.858 ( -2.119 0.000 11.178) 11.377 4.881 ( -0.999 0.000 6.679) 6.753 4.943 ( -0.854 0.000 -2.683) 2.816 5.052 ( 0.233 0.000 -1.456) 1.474 5.061 ( -2.447 0.000 0.369) 2.475 5.123 ( -0.299 0.000 -4.993) 5.002 5.155 ( -5.217 0.000 4.614) 6.965 5.296 ( 11.900 0.000 -11.793) 16.754 5.505 ( -0.941 0.000 -0.636) 1.136 5.527 ( -0.518 0.000 -3.048) 3.091 5.731 ( -0.058 0.000 4.001) 4.002 5.754 ( -1.028 0.000 4.452) 4.569 5.773 ( 3.826 0.000 -0.827) 3.914 5.787 ( 0.070 0.000 1.170) 1.172 5.852 ( 0.685 0.000 -1.546) 1.691 5.854 ( -0.250 0.000 -3.243) 3.253 6.012 ( 0.082 0.000 0.341) 0.350 6.041 ( -3.183 0.000 -1.878) 3.696 6.179 ( -3.949 0.000 7.663) 8.621 6.240 ( 1.083 0.000 1.703) 2.018 6.326 ( 6.992 0.000 3.836) 7.975 6.359 ( 5.325 0.000 0.280) 5.332 6.413 ( -6.456 0.000 -3.403) 7.298 6.433 ( -3.950 0.000 -4.763) 6.188 7.024 ( -0.083 0.000 3.340) 3.341 7.093 ( 0.043 0.000 -2.802) 2.803 7.395 ( 2.856 0.000 3.847) 4.792 7.480 ( -4.738 0.000 -4.150) 6.299 7.542 ( -2.039 0.000 0.920) 2.237 7.591 ( 5.928 0.000 -2.768) 6.542 7.678 ( 3.547 0.000 0.475) 3.578 7.724 ( -2.835 0.000 -2.466) 3.757 7.927 ( -2.120 0.000 5.645) 6.030 7.977 ( -2.027 0.000 0.543) 2.099 8.032 ( -0.636 0.000 -0.584) 0.863 8.076 ( 1.690 0.000 -4.648) 4.945 8.974 ( 3.073 0.000 0.249) 3.083 8.988 ( -3.762 0.000 1.370) 4.003 8.990 ( -2.257 0.000 -0.897) 2.429 9.022 ( 3.190 0.000 -1.754) 3.640 9.431 ( 0.832 0.000 0.604) 1.028 9.438 ( 0.484 0.000 -0.282) 0.561 9.537 ( 2.970 0.000 6.914) 7.525 9.679 ( -3.919 0.000 -6.000) 7.166 10.393 ( -3.228 0.000 5.136) 6.067 10.537 ( 3.747 0.000 -8.851) 9.611 11.070 ( -3.337 0.000 12.673) 13.105 11.314 ( 2.952 0.000 -9.549) 9.995 11.384 ( 4.105 0.000 -0.983) 4.221 11.398 ( -3.875 0.000 -0.872) 3.971 11.570 ( -0.030 0.000 0.853) 0.853 11.590 ( 2.649 0.000 -0.859) 2.785 11.612 ( 0.357 0.000 1.345) 1.392 11.651 ( -2.016 0.000 -2.064) 2.886 11.878 ( -2.780 0.000 6.469) 7.041 11.969 ( 2.759 0.000 -2.590) 3.784 12.307 ( -1.014 0.000 0.118) 1.021 12.337 ( 0.909 0.000 -2.408) 2.574 12.512 ( -2.734 0.000 1.281) 3.019 12.523 ( 1.967 0.000 0.311) 1.991 12.911 ( -2.920 0.000 -0.095) 2.921 12.919 ( 2.045 0.000 -0.701) 2.162 13.057 ( 2.057 0.000 2.094) 2.935 13.103 ( -1.587 0.000 -2.217) 2.727 13.677 ( -0.651 0.000 0.465) 0.800 13.688 ( 0.444 0.000 -0.503) 0.671 14.135 ( 0.979 0.000 2.512) 2.696 14.177 ( -0.479 0.000 -1.485) 1.560 14.348 ( -0.144 0.000 2.640) 2.644 14.392 ( -1.156 0.000 -1.126) 1.614 14.404 ( -1.599 0.000 0.606) 1.710 14.429 ( 2.374 0.000 -1.796) 2.977 15.139 ( 0.200 0.000 -0.379) 0.428 15.160 ( -0.092 0.000 -2.562) 2.563 15.277 ( 0.233 0.000 2.048) 2.061 15.302 ( -0.767 0.000 0.109) 0.775 16.038 ( 1.993 0.000 0.162) 1.999 16.047 ( -1.439 0.000 -0.539) 1.537 16.335 ( 0.486 0.000 1.141) 1.240 16.357 ( -0.440 0.000 -0.903) 1.004 16.607 ( -0.399 0.000 1.333) 1.392 16.634 ( 0.435 0.000 -1.175) 1.253 16.995 ( -0.044 0.000 1.075) 1.076 17.016 ( -0.002 0.000 -0.810) 0.810 17.540 ( -0.919 0.000 0.477) 1.036 17.551 ( 0.738 0.000 -0.504) 0.894 17.885 ( 2.033 0.000 1.162) 2.341 17.896 ( -2.116 0.000 0.097) 2.118 18.118 ( -0.760 0.000 -0.235) 0.796 18.147 ( 0.732 0.000 -2.839) 2.932 18.256 ( -0.957 0.000 1.539) 1.813 18.270 ( 1.198 0.000 0.300) 1.235 19.629 ( -1.710 0.000 4.318) 4.644 19.727 ( 1.784 0.000 -4.651) 4.982 19.837 ( -0.729 0.000 1.267) 1.462 19.866 ( 1.397 0.000 -1.313) 1.917 20.964 ( 0.001 0.000 3.139) 3.139 21.047 ( 0.340 0.000 -4.549) 4.562 21.131 ( -0.228 0.000 1.471) 1.488 21.158 ( 0.177 0.000 -0.782) 0.802 22.863 ( 2.156 0.000 7.503) 7.806 23.007 ( -2.071 0.000 -5.640) 6.008 24.293 ( -0.499 0.000 0.935) 1.060 24.313 ( 0.274 0.000 -0.901) 0.941 25.293 ( -0.826 0.000 3.423) 3.521 25.368 ( 1.130 0.000 -3.409) 3.591 25.987 ( -2.012 0.000 1.736) 2.657 26.024 ( 1.703 0.000 -1.685) 2.395 27.267 ( 2.193 0.000 0.605) 2.275 27.279 ( -2.488 0.000 -0.601) 2.559 27.319 ( -0.221 0.000 0.532) 0.576 27.333 ( 0.595 0.000 -0.646) 0.879 27.445 ( -1.170 0.000 1.410) 1.833 27.477 ( 1.625 0.000 -1.456) 2.182 27.550 ( -1.239 0.000 2.172) 2.501 27.591 ( 1.620 0.000 -1.482) 2.195 27.591 ( 1.449 0.000 0.605) 1.570 27.615 ( -2.269 0.000 -1.433) 2.684 27.956 ( -1.980 0.000 0.650) 2.084 27.966 ( 1.481 0.000 -0.284) 1.509 29.035 ( -0.348 0.000 1.827) 1.860 29.076 ( 1.067 0.000 -1.750) 2.049 29.258 ( 2.009 0.000 1.651) 2.600 29.298 ( -2.313 0.000 -1.745) 2.897 29.824 ( -5.855 0.000 -1.186) 5.974 29.877 ( 4.331 0.000 -5.268) 6.820 30.196 ( 1.712 0.000 4.746) 5.045 30.269 ( -4.785 0.000 -1.341) 4.969 30.451 ( -3.180 0.000 16.205) 16.514 30.758 ( 5.460 0.000 -11.987) 13.172 31.450 ( 1.281 0.000 6.205) 6.336 31.591 ( -0.679 0.000 -6.691) 6.725 33.077 ( 1.308 0.000 0.851) 1.560 33.099 ( -1.443 0.000 -1.185) 1.867 33.402 ( 0.682 0.000 2.261) 2.362 33.407 ( 0.353 0.000 1.215) 1.265 33.850 ( -5.915 0.000 6.188) 8.560 34.061 ( 3.286 0.000 -12.937) 13.348 34.493 ( -2.792 0.000 5.710) 6.356 34.589 ( 5.546 0.000 -2.537) 6.098 47.255 ( 0.166 0.000 0.226) 0.280 47.261 ( -0.145 0.000 -0.367) 0.395 47.441 ( -0.048 0.000 0.548) 0.550 47.452 ( 0.023 0.000 -0.500) 0.500 96.972 ( 0.375 0.000 0.251) 0.451 96.975 ( -0.282 0.000 -0.041) 0.285 97.111 ( -0.073 0.000 0.315) 0.323 97.120 ( -0.027 0.000 -0.451) 0.452 98.821 ( -0.359 0.000 1.399) 1.444 98.851 ( 0.546 0.000 -1.366) 1.471 99.756 ( 4.802 0.000 8.959) 10.165 99.980 ( -5.420 0.000 -11.505) 12.717 ======================= Grid point 81 (29/60) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -15.949 0.000 13.935) 21.179 0.900 ( -18.426 0.000 4.198) 18.898 1.486 ( -14.172 0.000 -2.315) 14.360 1.507 ( -7.949 0.000 -11.114) 13.664 1.793 ( -1.671 0.000 -4.396) 4.703 1.927 ( 3.777 0.000 2.880) 4.750 1.930 ( 0.008 0.000 2.841) 2.841 2.031 ( 7.360 0.000 1.288) 7.472 2.151 ( 10.669 0.000 -1.927) 10.842 2.206 ( 8.752 0.000 3.712) 9.507 2.356 ( -4.836 0.000 14.016) 14.827 2.468 ( -9.809 0.000 -8.281) 12.837 2.587 ( -7.921 0.000 0.954) 7.978 2.639 ( 3.876 0.000 -8.142) 9.017 2.818 ( 2.507 0.000 -1.280) 2.815 2.943 ( -0.532 0.000 -3.811) 3.848 2.981 ( -9.005 0.000 -4.102) 9.895 3.101 ( -12.171 0.000 7.930) 14.526 3.106 ( -9.272 0.000 -0.773) 9.304 3.390 ( -6.115 0.000 0.760) 6.162 3.491 ( -18.471 0.000 -4.125) 18.926 3.587 ( -12.440 0.000 0.077) 12.440 3.611 ( -10.451 0.000 -4.505) 11.380 3.683 ( 2.324 0.000 -2.642) 3.518 3.793 ( -2.773 0.000 -0.010) 2.773 3.868 ( -3.283 0.000 2.062) 3.876 3.912 ( 0.117 0.000 0.295) 0.317 3.959 ( -2.248 0.000 2.023) 3.024 3.972 ( -10.522 0.000 5.408) 11.831 3.978 ( 4.534 0.000 -1.630) 4.818 4.022 ( -2.943 0.000 6.721) 7.337 4.169 ( -0.989 0.000 -2.687) 2.863 4.248 ( 1.834 0.000 -4.649) 4.997 4.297 ( 9.761 0.000 0.415) 9.770 4.384 ( 3.501 0.000 -0.506) 3.537 4.409 ( 1.089 0.000 0.720) 1.305 4.478 ( 10.962 0.000 -1.887) 11.123 4.498 ( 8.368 0.000 0.300) 8.374 4.714 ( -1.477 0.000 9.174) 9.293 4.734 ( 2.241 0.000 -3.926) 4.521 4.846 ( 1.385 0.000 5.680) 5.846 4.979 ( -1.223 0.000 -1.837) 2.207 4.984 ( 8.589 0.000 6.342) 10.677 4.990 ( -3.499 0.000 -2.782) 4.471 5.012 ( 7.515 0.000 -0.410) 7.526 5.110 ( -2.539 0.000 -4.775) 5.408 5.155 ( 2.619 0.000 0.552) 2.677 5.422 ( -5.202 0.000 -0.071) 5.202 5.484 ( -2.942 0.000 -1.860) 3.481 5.489 ( 7.227 0.000 -6.603) 9.789 5.681 ( -4.076 0.000 1.335) 4.289 5.744 ( -6.831 0.000 -3.553) 7.699 5.761 ( -4.557 0.000 2.773) 5.334 5.804 ( -2.852 0.000 0.701) 2.937 5.827 ( 4.916 0.000 1.574) 5.162 5.880 ( 5.618 0.000 0.761) 5.669 6.044 ( 3.425 0.000 -1.905) 3.919 6.059 ( 4.699 0.000 0.219) 4.704 6.194 ( 1.476 0.000 4.829) 5.049 6.247 ( 2.111 0.000 1.599) 2.648 6.322 ( 2.267 0.000 2.280) 3.215 6.464 ( 10.099 0.000 -6.440) 11.978 6.518 ( 8.443 0.000 2.589) 8.831 6.591 ( 10.929 0.000 1.826) 11.080 7.064 ( 3.471 0.000 5.352) 6.379 7.142 ( 4.931 0.000 -4.336) 6.566 7.370 ( -4.896 0.000 -2.140) 5.343 7.433 ( -0.108 0.000 4.753) 4.755 7.515 ( -0.496 0.000 -1.231) 1.327 7.659 ( -3.336 0.000 -6.174) 7.018 7.680 ( 2.258 0.000 -6.296) 6.689 7.742 ( 4.476 0.000 3.113) 5.452 7.850 ( -6.928 0.000 8.471) 10.944 7.948 ( -1.242 0.000 -1.018) 1.606 8.044 ( 1.587 0.000 -0.752) 1.756 8.085 ( 0.746 0.000 -0.999) 1.246 8.915 ( -3.784 0.000 1.523) 4.079 8.945 ( -2.154 0.000 -1.955) 2.909 9.042 ( 3.673 0.000 -0.171) 3.677 9.073 ( 2.090 0.000 -0.289) 2.110 9.434 ( -0.174 0.000 -0.492) 0.522 9.444 ( -0.151 0.000 -2.240) 2.245 9.581 ( -5.107 0.000 -7.653) 9.201 9.608 ( 2.209 0.000 9.337) 9.595 10.366 ( -0.161 0.000 4.139) 4.142 10.601 ( 4.056 0.000 -7.854) 8.840 11.038 ( -2.230 0.000 11.997) 12.202 11.319 ( -3.588 0.000 -2.230) 4.225 11.342 ( 0.951 0.000 -10.248) 10.292 11.470 ( 5.095 0.000 1.602) 5.341 11.540 ( -4.023 0.000 -1.230) 4.207 11.599 ( -0.359 0.000 -0.032) 0.360 11.626 ( 1.158 0.000 -0.600) 1.304 11.656 ( 2.314 0.000 -0.334) 2.338 11.822 ( -3.825 0.000 3.653) 5.289 11.980 ( -1.382 0.000 -1.893) 2.344 12.266 ( -3.006 0.000 1.313) 3.280 12.344 ( 0.128 0.000 -2.447) 2.450 12.472 ( -1.458 0.000 0.819) 1.672 12.568 ( 2.423 0.000 1.465) 2.831 12.831 ( -4.159 0.000 -0.041) 4.159 12.902 ( -2.698 0.000 0.619) 2.768 13.136 ( 4.400 0.000 -2.406) 5.015 13.139 ( 4.648 0.000 1.985) 5.054 13.680 ( 0.947 0.000 0.261) 0.982 13.712 ( 2.267 0.000 -0.120) 2.270 14.105 ( -4.624 0.000 1.116) 4.757 14.115 ( -4.907 0.000 -1.337) 5.086 14.369 ( 2.455 0.000 4.739) 5.337 14.397 ( 2.043 0.000 -1.607) 2.599 14.416 ( 1.846 0.000 0.223) 1.860 14.514 ( 6.043 0.000 -1.347) 6.191 15.161 ( 2.019 0.000 -0.138) 2.024 15.164 ( 0.891 0.000 -2.097) 2.278 15.275 ( -0.878 0.000 2.048) 2.229 15.277 ( -1.702 0.000 0.128) 1.707 16.035 ( 0.392 0.000 -1.164) 1.228 16.101 ( 4.363 0.000 0.104) 4.365 16.349 ( -0.147 0.000 -0.966) 0.977 16.350 ( 0.768 0.000 1.093) 1.336 16.567 ( -3.817 0.000 0.949) 3.934 16.597 ( -4.164 0.000 -0.871) 4.254 16.982 ( -1.333 0.000 1.129) 1.746 16.998 ( -1.554 0.000 -0.654) 1.686 17.546 ( 1.510 0.000 -0.253) 1.531 17.568 ( 1.242 0.000 0.267) 1.270 17.896 ( 1.226 0.000 -1.074) 1.631 17.959 ( 4.860 0.000 3.765) 6.147 18.058 ( -5.142 0.000 -1.548) 5.370 18.133 ( -0.746 0.000 -2.130) 2.257 18.238 ( -1.014 0.000 1.471) 1.787 18.294 ( 1.459 0.000 0.099) 1.463 19.584 ( -3.783 0.000 3.200) 4.955 19.736 ( 0.023 0.000 -3.702) 3.702 19.802 ( -2.872 0.000 0.732) 2.964 19.880 ( 0.283 0.000 -3.178) 3.191 20.959 ( -1.091 0.000 3.129) 3.314 21.032 ( -1.173 0.000 -5.530) 5.653 21.121 ( -1.044 0.000 1.480) 1.811 21.155 ( -0.277 0.000 -1.022) 1.059 22.958 ( 6.521 0.000 10.641) 12.480 23.005 ( 3.255 0.000 -7.037) 7.753 24.291 ( 0.228 0.000 1.295) 1.315 24.324 ( 0.810 0.000 -0.989) 1.278 25.280 ( -1.078 0.000 3.069) 3.253 25.381 ( 0.798 0.000 -3.602) 3.689 25.943 ( -2.559 0.000 2.143) 3.338 26.052 ( 1.178 0.000 -1.464) 1.879 27.236 ( -1.573 0.000 -0.448) 1.635 27.316 ( 2.001 0.000 2.384) 3.112 27.336 ( 2.194 0.000 -1.196) 2.499 27.353 ( 1.625 0.000 -0.863) 1.840 27.416 ( -1.967 0.000 0.791) 2.121 27.502 ( 1.171 0.000 -1.958) 2.282 27.524 ( -1.842 0.000 1.207) 2.202 27.555 ( -2.623 0.000 -0.109) 2.626 27.625 ( 1.918 0.000 3.240) 3.765 27.634 ( 2.179 0.000 -3.003) 3.710 27.917 ( -2.190 0.000 0.206) 2.199 27.993 ( 1.267 0.000 0.830) 1.515 29.015 ( -1.810 0.000 1.402) 2.289 29.074 ( -0.927 0.000 -2.854) 3.000 29.223 ( -4.591 0.000 -1.819) 4.938 29.284 ( -0.156 0.000 2.224) 2.230 29.727 ( -2.584 0.000 2.428) 3.546 29.967 ( 3.934 0.000 -3.990) 5.603 30.162 ( -5.881 0.000 3.166) 6.679 30.263 ( 5.225 0.000 5.690) 7.725 30.460 ( 0.760 0.000 8.896) 8.928 30.865 ( 7.491 0.000 -8.036) 10.986 31.501 ( 2.267 0.000 6.294) 6.690 31.599 ( 2.965 0.000 -7.249) 7.831 33.083 ( 0.157 0.000 -1.445) 1.453 33.106 ( 1.178 0.000 2.010) 2.330 33.400 ( -1.153 0.000 -0.056) 1.154 33.402 ( -1.257 0.000 0.894) 1.543 33.735 ( -7.111 0.000 5.443) 8.954 34.103 ( 3.220 0.000 -8.663) 9.242 34.433 ( -3.848 0.000 2.334) 4.501 34.671 ( 3.246 0.000 -5.620) 6.490 47.256 ( -0.363 0.000 -0.579) 0.683 47.257 ( -0.038 0.000 0.299) 0.301 47.440 ( -0.138 0.000 0.545) 0.562 47.450 ( -0.161 0.000 -0.465) 0.492 96.968 ( -0.331 0.000 -0.233) 0.405 96.979 ( 0.400 0.000 0.310) 0.506 97.109 ( -0.240 0.000 0.423) 0.487 97.115 ( -0.397 0.000 -0.372) 0.544 98.815 ( -0.212 0.000 1.403) 1.419 98.857 ( 0.181 0.000 -1.640) 1.650 99.787 ( -4.002 0.000 12.573) 13.195 99.795 ( -12.046 0.000 -16.897) 20.752 ======================= Grid point 82 (30/60) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -11.462 0.000 19.945) 23.004 0.635 ( -9.208 0.000 18.738) 20.878 1.151 ( -22.141 0.000 22.422) 31.512 1.253 ( -12.987 0.000 -19.208) 23.186 1.458 ( -16.928 0.000 -20.527) 26.607 1.945 ( 0.872 0.000 9.553) 9.593 2.078 ( -13.306 0.000 -20.665) 24.578 2.130 ( 8.598 0.000 5.160) 10.027 2.235 ( 9.248 0.000 6.294) 11.187 2.237 ( -4.443 0.000 16.578) 17.163 2.377 ( 1.934 0.000 -6.899) 7.165 2.389 ( 2.201 0.000 5.091) 5.546 2.502 ( 1.240 0.000 -4.816) 4.973 2.760 ( -8.366 0.000 4.383) 9.444 2.775 ( 5.393 0.000 -5.098) 7.421 2.839 ( -3.223 0.000 -9.039) 9.597 2.850 ( -1.591 0.000 -7.685) 7.848 2.958 ( -7.978 0.000 2.255) 8.291 3.042 ( 1.143 0.000 -2.782) 3.008 3.092 ( -9.950 0.000 -3.595) 10.579 3.243 ( -11.311 0.000 -4.017) 12.003 3.365 ( -8.849 0.000 -0.048) 8.849 3.487 ( -4.342 0.000 -0.778) 4.411 3.569 ( -15.578 0.000 6.614) 16.924 3.772 ( 3.682 0.000 -4.475) 5.795 3.847 ( 0.260 0.000 -0.584) 0.639 3.878 ( -1.022 0.000 1.641) 1.933 3.883 ( -4.099 0.000 4.177) 5.852 3.898 ( 1.545 0.000 6.539) 6.719 4.047 ( 2.142 0.000 1.507) 2.619 4.096 ( 5.288 0.000 -2.259) 5.750 4.133 ( -2.249 0.000 -4.761) 5.266 4.243 ( -1.436 0.000 1.131) 1.828 4.322 ( -3.146 0.000 -1.957) 3.705 4.383 ( -1.776 0.000 4.876) 5.189 4.467 ( 2.966 0.000 -0.954) 3.116 4.593 ( -0.499 0.000 5.021) 5.046 4.645 ( 6.037 0.000 -1.614) 6.249 4.704 ( 2.479 0.000 5.658) 6.177 4.819 ( 4.612 0.000 -1.958) 5.011 4.874 ( -0.762 0.000 1.815) 1.968 4.930 ( -1.144 0.000 -3.650) 3.825 5.014 ( 4.695 0.000 -0.864) 4.774 5.023 ( -1.591 0.000 -2.945) 3.347 5.178 ( 4.068 0.000 -0.261) 4.076 5.187 ( 3.980 0.000 -1.799) 4.368 5.221 ( 6.818 0.000 2.511) 7.266 5.314 ( -3.036 0.000 2.208) 3.753 5.426 ( -1.422 0.000 -1.208) 1.865 5.552 ( -3.284 0.000 -4.204) 5.334 5.600 ( -5.662 0.000 3.939) 6.897 5.625 ( -0.341 0.000 -3.653) 3.669 5.693 ( -0.408 0.000 4.032) 4.052 5.771 ( -1.504 0.000 3.133) 3.476 5.798 ( -2.473 0.000 -3.246) 4.080 6.052 ( -4.143 0.000 -10.929) 11.687 6.145 ( 8.260 0.000 -4.078) 9.212 6.163 ( 15.445 0.000 7.552) 17.192 6.284 ( 9.426 0.000 -1.544) 9.551 6.334 ( 5.124 0.000 0.344) 5.136 6.505 ( 11.481 0.000 10.894) 15.827 6.591 ( -1.425 0.000 0.035) 1.425 6.673 ( 11.313 0.000 -5.320) 12.502 6.761 ( 5.426 0.000 4.730) 7.198 7.144 ( 0.851 0.000 5.313) 5.381 7.188 ( 0.037 0.000 -6.184) 6.185 7.355 ( 3.277 0.000 1.260) 3.511 7.410 ( -2.260 0.000 2.960) 3.724 7.510 ( 0.108 0.000 -0.130) 0.169 7.583 ( -2.161 0.000 -9.021) 9.277 7.649 ( -5.437 0.000 2.255) 5.886 7.725 ( -4.709 0.000 1.299) 4.885 7.850 ( 4.854 0.000 1.818) 5.183 7.931 ( 0.568 0.000 0.536) 0.781 8.075 ( 1.565 0.000 0.113) 1.569 8.114 ( 1.716 0.000 0.651) 1.835 8.853 ( -2.748 0.000 1.861) 3.319 8.904 ( -1.352 0.000 -2.020) 2.430 9.096 ( 0.251 0.000 0.979) 1.011 9.106 ( 2.733 0.000 -0.598) 2.797 9.354 ( -8.811 0.000 -8.282) 12.092 9.429 ( -0.175 0.000 -0.399) 0.436 9.502 ( -1.150 0.000 -1.106) 1.596 9.624 ( -3.264 0.000 7.924) 8.570 10.405 ( 3.106 0.000 4.066) 5.117 10.642 ( 1.133 0.000 -6.947) 7.039 11.028 ( -0.900 0.000 9.308) 9.352 11.277 ( 0.115 0.000 -1.444) 1.449 11.304 ( -2.834 0.000 -7.939) 8.429 11.452 ( -3.810 0.000 0.593) 3.856 11.535 ( -2.120 0.000 -6.065) 6.425 11.583 ( -1.301 0.000 -1.825) 2.241 11.673 ( 0.794 0.000 -1.665) 1.844 11.676 ( 3.569 0.000 -0.815) 3.660 11.753 ( -3.169 0.000 2.455) 4.008 11.914 ( -4.777 0.000 -1.619) 5.044 12.217 ( -2.178 0.000 3.821) 4.398 12.330 ( -0.922 0.000 -3.606) 3.722 12.475 ( 2.135 0.000 3.055) 3.727 12.607 ( 0.697 0.000 1.161) 1.354 12.776 ( -1.099 0.000 1.185) 1.616 12.868 ( -0.440 0.000 0.973) 1.068 13.215 ( 3.597 0.000 -1.549) 3.917 13.216 ( 2.657 0.000 1.424) 3.014 13.721 ( 3.413 0.000 0.176) 3.418 13.776 ( 4.289 0.000 0.215) 4.294 13.984 ( -7.458 0.000 -0.508) 7.475 14.004 ( -6.098 0.000 -0.445) 6.115 14.420 ( 1.397 0.000 2.135) 2.551 14.454 ( 3.562 0.000 -2.098) 4.134 14.502 ( 7.573 0.000 6.523) 9.995 14.633 ( 5.832 0.000 -1.174) 5.949 15.184 ( 1.548 0.000 -0.363) 1.590 15.203 ( 1.795 0.000 -0.151) 1.802 15.243 ( -1.648 0.000 0.182) 1.658 15.256 ( -1.177 0.000 1.925) 2.256 16.058 ( 2.242 0.000 -0.844) 2.396 16.186 ( 3.558 0.000 -2.756) 4.500 16.348 ( 0.108 0.000 -0.639) 0.648 16.362 ( 0.184 0.000 0.393) 0.434 16.475 ( -5.448 0.000 0.362) 5.460 16.486 ( -6.363 0.000 -0.381) 6.374 16.959 ( -0.906 0.000 0.878) 1.262 16.963 ( -1.710 0.000 -0.062) 1.711 17.597 ( 4.054 0.000 -0.017) 4.054 17.616 ( 4.209 0.000 -0.186) 4.213 17.869 ( -4.748 0.000 -0.744) 4.806 17.897 ( -10.020 0.000 -0.061) 10.020 18.101 ( 7.272 0.000 2.500) 7.690 18.147 ( 2.059 0.000 -1.197) 2.382 18.241 ( 2.595 0.000 3.780) 4.586 18.343 ( 3.779 0.000 0.108) 3.780 19.496 ( -5.161 0.000 0.576) 5.193 19.715 ( -1.962 0.000 -4.967) 5.341 19.748 ( -2.363 0.000 0.404) 2.397 19.824 ( -7.127 0.000 -8.161) 10.835 20.937 ( -1.730 0.000 2.494) 3.036 20.972 ( -3.846 0.000 -5.361) 6.598 21.102 ( -0.999 0.000 1.595) 1.882 21.145 ( -0.514 0.000 -1.551) 1.634 23.104 ( 7.863 0.000 -5.881) 9.819 23.170 ( 12.804 0.000 9.844) 16.151 24.306 ( 0.728 0.000 2.120) 2.242 24.333 ( 0.411 0.000 -1.478) 1.534 25.266 ( -0.806 0.000 3.019) 3.125 25.381 ( -0.054 0.000 -4.389) 4.390 25.912 ( -0.994 0.000 4.100) 4.219 26.055 ( -0.549 0.000 -3.179) 3.226 27.221 ( -0.038 0.000 0.778) 0.779 27.336 ( -0.756 0.000 -2.699) 2.803 27.369 ( 0.635 0.000 2.806) 2.877 27.391 ( 2.103 0.000 -0.113) 2.106 27.401 ( 1.406 0.000 0.179) 1.418 27.482 ( -2.364 0.000 -0.376) 2.393 27.511 ( -1.932 0.000 0.635) 2.034 27.516 ( 0.651 0.000 -2.674) 2.752 27.674 ( 2.744 0.000 -3.470) 4.424 27.686 ( 2.879 0.000 4.836) 5.628 27.888 ( 0.832 0.000 2.938) 3.053 28.013 ( 0.307 0.000 1.847) 1.872 28.984 ( -1.371 0.000 1.121) 1.771 29.038 ( -1.919 0.000 -3.642) 4.117 29.131 ( -4.196 0.000 -1.138) 4.348 29.209 ( -8.036 0.000 -3.659) 8.830 29.873 ( 18.689 0.000 19.079) 26.707 29.997 ( 0.734 0.000 -2.609) 2.710 30.089 ( 0.921 0.000 8.432) 8.482 30.398 ( 6.301 0.000 2.574) 6.806 30.497 ( 1.762 0.000 8.183) 8.371 31.010 ( 7.774 0.000 -2.141) 8.063 31.541 ( 0.803 0.000 4.563) 4.634 31.645 ( 0.511 0.000 -1.731) 1.805 33.103 ( 2.117 0.000 -0.408) 2.156 33.131 ( 1.749 0.000 1.420) 2.253 33.358 ( -2.696 0.000 -2.946) 3.994 33.365 ( -2.476 0.000 -1.423) 2.856 33.619 ( -4.338 0.000 3.868) 5.812 34.144 ( 1.781 0.000 -7.358) 7.571 34.368 ( -2.755 0.000 -0.742) 2.853 34.615 ( -11.607 0.000 -17.177) 20.731 47.243 ( -0.855 0.000 -0.581) 1.034 47.254 ( -0.338 0.000 0.184) 0.385 47.438 ( -0.178 0.000 0.456) 0.490 47.446 ( -0.191 0.000 -0.400) 0.444 96.963 ( -0.121 0.000 -0.316) 0.338 96.987 ( 0.161 0.000 -0.333) 0.369 97.105 ( -0.438 0.000 -0.261) 0.510 97.106 ( -0.143 0.000 0.535) 0.554 98.825 ( 0.964 0.000 1.396) 1.697 98.847 ( -0.695 0.000 -2.808) 2.893 99.423 ( -22.419 0.000 -15.504) 27.258 99.633 ( -14.504 0.000 11.902) 18.762 ======================= Grid point 83 (31/60) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 1.608 14.212 14.522) 20.383 0.711 ( 5.009 15.985 15.755) 22.996 1.099 ( -6.305 3.641 -22.961) 24.088 1.211 ( 0.290 9.921 -23.302) 25.328 1.545 ( 1.804 31.816 27.529) 42.112 2.011 ( 6.145 -0.295 5.422) 8.200 2.060 ( -4.050 13.327 -8.516) 16.326 2.106 ( -4.561 0.730 9.366) 10.443 2.230 ( -2.211 2.194 3.242) 4.496 2.281 ( -2.615 0.653 8.032) 8.473 2.388 ( 3.937 0.911 1.544) 4.326 2.497 ( 3.039 5.780 -4.780) 8.093 2.625 ( 0.294 -1.205 -4.050) 4.236 2.675 ( -2.045 0.516 -11.308) 11.503 2.737 ( 0.615 6.707 0.344) 6.744 2.804 ( -0.076 7.055 -3.924) 8.073 2.947 ( -3.310 9.676 -0.335) 10.232 2.975 ( 5.314 0.890 -2.220) 5.828 3.106 ( -2.598 4.960 0.743) 5.648 3.188 ( 7.828 7.636 -1.883) 11.097 3.225 ( -6.235 1.923 0.206) 6.528 3.265 ( -2.874 5.130 -2.574) 6.419 3.316 ( -5.337 -0.852 5.112) 7.439 3.437 ( 8.270 -0.315 -3.688) 9.061 3.772 ( 0.916 -2.657 2.884) 4.027 3.829 ( -0.314 0.342 -0.790) 0.916 3.853 ( -1.779 1.278 1.038) 2.424 3.946 ( 2.272 2.945 -4.068) 5.512 4.006 ( 3.453 1.312 1.285) 3.911 4.030 ( -4.133 -2.519 -2.797) 5.590 4.123 ( -3.810 2.365 -1.116) 4.621 4.134 ( 3.374 3.261 -1.886) 5.057 4.301 ( 1.925 1.919 5.462) 6.102 4.344 ( 1.116 3.231 0.695) 3.489 4.416 ( -1.588 3.469 -0.483) 3.845 4.455 ( 1.479 -2.002 -3.553) 4.338 4.563 ( -1.764 -3.717 8.052) 9.042 4.664 ( 2.801 -1.946 0.316) 3.425 4.770 ( -5.447 -1.923 1.651) 6.008 4.819 ( 4.323 0.751 4.033) 5.960 4.878 ( -1.457 2.236 -3.573) 4.460 4.953 ( 1.733 0.620 -4.895) 5.230 5.061 ( 1.595 -0.377 1.265) 2.070 5.075 ( -0.859 -2.264 0.401) 2.454 5.146 ( 2.462 0.172 -0.835) 2.605 5.170 ( -1.671 -1.061 -3.444) 3.973 5.262 ( 0.017 -1.367 1.235) 1.842 5.314 ( -1.395 -0.173 -4.146) 4.378 5.423 ( -4.878 -0.650 6.494) 8.148 5.491 ( -3.531 0.580 5.118) 6.245 5.522 ( 2.971 1.668 -2.260) 4.089 5.594 ( 3.719 -4.403 -0.922) 5.837 5.723 ( -1.560 -0.081 2.779) 3.188 5.758 ( 0.730 -0.197 -0.749) 1.064 5.835 ( 1.812 2.932 0.332) 3.463 5.931 ( -2.992 0.557 -8.143) 8.694 6.112 ( -9.893 -9.426 12.257) 18.357 6.284 ( 2.517 -8.002 -1.632) 8.546 6.309 ( -1.222 0.999 4.220) 4.505 6.399 ( 5.335 -1.418 -4.302) 6.998 6.505 ( 8.867 2.024 -2.070) 9.328 6.527 ( -8.283 -1.667 -1.419) 8.568 6.727 ( -5.746 -2.388 4.105) 7.454 6.795 ( 2.471 -3.431 -2.507) 4.915 7.097 ( -0.107 -1.849 1.844) 2.613 7.147 ( 0.612 -2.782 -2.769) 3.973 7.396 ( 0.584 0.650 1.464) 1.704 7.425 ( -1.183 0.179 -0.897) 1.495 7.543 ( 0.640 0.203 3.547) 3.610 7.604 ( 2.435 0.749 -1.979) 3.226 7.626 ( -5.397 3.073 2.404) 6.660 7.718 ( 4.594 1.659 -5.156) 7.102 7.842 ( 0.760 -5.094 2.502) 5.726 7.881 ( -0.419 -4.044 -0.747) 4.133 8.127 ( 0.228 1.930 1.146) 2.256 8.148 ( -0.504 2.959 -0.844) 3.118 9.033 ( 1.296 8.432 0.880) 8.576 9.053 ( -2.566 0.931 -1.097) 2.942 9.133 ( -2.115 2.675 3.565) 4.933 9.264 ( 0.548 13.667 -9.389) 16.591 9.409 ( 10.523 -0.270 0.294) 10.530 9.414 ( -5.136 -0.774 -0.813) 5.257 9.466 ( 2.841 -2.995 1.379) 4.352 9.522 ( -0.753 5.613 -6.165) 8.371 10.506 ( 1.979 2.806 5.482) 6.468 10.652 ( -1.498 3.047 -8.886) 9.512 11.055 ( 1.051 -0.284 7.044) 7.128 11.190 ( -4.036 -1.755 -5.258) 6.857 11.309 ( -0.358 -1.722 0.552) 1.844 11.315 ( 0.003 -2.311 -0.413) 2.347 11.393 ( 0.990 -3.555 3.840) 5.325 11.486 ( -1.681 -4.137 -4.590) 6.404 11.657 ( -1.324 -5.727 1.205) 6.001 11.679 ( 1.490 -5.242 -0.762) 5.503 11.729 ( 4.157 -1.302 4.747) 6.443 11.818 ( -3.898 -0.502 -3.998) 5.606 12.151 ( -0.626 -4.174 3.410) 5.426 12.232 ( 0.101 -6.161 -3.993) 7.342 12.495 ( 2.700 -5.246 2.566) 6.434 12.528 ( -1.403 -5.169 -0.955) 5.440 12.782 ( 1.705 -0.308 1.265) 2.145 12.808 ( -1.863 -2.142 -0.521) 2.886 13.213 ( -0.401 -2.077 1.095) 2.382 13.241 ( 0.576 -1.159 -1.595) 2.054 13.802 ( 1.248 0.731 1.118) 1.828 13.827 ( -0.865 0.482 -1.154) 1.521 13.961 ( 0.608 5.978 0.877) 6.072 13.978 ( -0.546 5.198 -0.504) 5.250 14.439 ( 0.039 0.085 2.420) 2.422 14.489 ( 0.226 -0.549 -1.910) 2.000 14.548 ( 0.946 -5.567 5.829) 8.116 14.624 ( -0.968 -4.680 -2.130) 5.232 15.233 ( -0.172 2.523 0.519) 2.581 15.243 ( 0.408 2.946 -0.452) 3.008 15.306 ( -2.113 4.147 0.602) 4.693 15.321 ( 2.852 3.019 -0.737) 4.218 16.099 ( -0.452 -0.029 1.239) 1.320 16.129 ( 0.022 -0.438 -1.634) 1.692 16.355 ( 0.598 0.322 0.779) 1.034 16.378 ( -0.167 -0.536 -0.786) 0.966 16.382 ( -1.309 -2.028 0.131) 2.417 16.396 ( -0.299 0.181 -1.401) 1.444 16.914 ( -0.055 -3.011 0.347) 3.031 16.915 ( 0.063 -3.125 0.430) 3.155 17.640 ( 0.713 -2.277 0.188) 2.393 17.654 ( -0.393 -2.640 -0.799) 2.786 17.856 ( -7.807 5.228 0.381) 9.404 17.874 ( 7.494 4.662 -1.342) 8.927 18.061 ( -5.438 -6.012 0.872) 8.154 18.087 ( 6.474 -3.825 -2.058) 7.796 18.374 ( 0.171 1.469 6.259) 6.431 18.467 ( -0.173 1.518 -3.590) 3.902 19.459 ( -5.400 0.695 0.916) 5.521 19.472 ( 2.868 0.859 -0.419) 3.024 19.750 ( 0.087 1.205 -0.002) 1.208 19.753 ( -0.119 1.123 -0.333) 1.178 20.897 ( -1.138 -1.659 -0.129) 2.016 20.900 ( 1.157 -2.687 -0.235) 2.935 21.116 ( 0.688 1.263 1.431) 2.029 21.147 ( -0.170 0.871 -1.470) 1.717 22.967 ( -5.429 -12.181 12.412) 18.218 23.134 ( 3.263 -9.533 -5.105) 11.295 24.303 ( -0.095 -0.597 1.007) 1.175 24.322 ( -0.056 -2.027 -0.590) 2.112 25.278 ( 0.006 1.068 3.588) 3.744 25.372 ( -0.301 0.552 -4.918) 4.958 25.929 ( 0.976 -0.034 3.894) 4.015 26.019 ( -1.013 -0.754 -4.044) 4.237 27.256 ( 1.738 0.638 2.234) 2.901 27.302 ( -2.041 -1.394 -1.489) 2.885 27.373 ( 0.568 -2.389 0.014) 2.456 27.382 ( -0.724 -1.762 -1.090) 2.195 27.418 ( -0.362 0.680 1.471) 1.660 27.458 ( 0.369 0.721 -1.779) 1.955 27.527 ( 0.703 1.837 0.953) 2.186 27.547 ( -0.073 1.964 -0.868) 2.148 27.712 ( -0.603 7.704 1.227) 7.824 27.735 ( 0.568 5.755 -0.854) 5.845 28.170 ( 1.314 14.910 6.383) 16.272 28.347 ( -0.936 14.309 -11.603) 18.446 29.023 ( 0.547 4.940 1.081) 5.086 29.045 ( -0.717 4.634 -0.818) 4.760 29.143 ( -0.713 6.125 2.176) 6.539 29.242 ( -2.110 11.039 -10.141) 15.138 29.980 ( -2.487 -0.181 1.654) 2.992 30.010 ( 3.239 -0.195 -1.178) 3.452 30.266 ( 5.300 -10.938 11.837) 16.966 30.391 ( 0.565 -5.465 -2.863) 6.195 30.948 ( 4.837 -0.882 2.780) 5.649 31.040 ( -1.217 0.819 -4.471) 4.705 31.416 ( 18.788 -10.654 4.379) 22.038 31.483 ( -16.371 -8.423 -1.555) 18.476 33.082 ( 2.310 -5.187 0.792) 5.733 33.099 ( -2.254 -5.121 -0.701) 5.639 33.310 ( 0.215 2.948 2.853) 4.108 33.389 ( 1.135 2.614 -4.476) 5.306 33.463 ( -13.844 -12.703 13.532) 23.154 33.665 ( 4.682 -11.978 -5.936) 14.164 34.228 ( 1.327 -4.314 4.961) 6.707 34.337 ( -2.344 -3.453 -5.396) 6.822 47.257 ( 0.263 1.701 0.604) 1.824 47.273 ( -0.067 1.761 -0.999) 2.025 47.452 ( -0.035 1.523 0.291) 1.551 47.459 ( 0.060 1.429 -0.333) 1.469 97.061 ( 0.126 8.052 3.023) 8.602 97.127 ( 0.113 3.836 -1.467) 4.109 97.149 ( 0.157 4.665 0.633) 4.710 97.222 ( -2.184 11.817 -9.987) 15.626 98.820 ( -0.907 -1.483 1.008) 2.009 98.843 ( 1.048 -1.454 -1.117) 2.112 99.248 ( 11.608 -5.816 5.015) 13.918 99.320 ( -3.230 -4.676 -2.620) 6.258 ======================= Grid point 84 (32/60) ======================= q-point: ( 0.17 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 11.870 12.666 8.674) 19.405 0.848 ( 8.120 12.700 17.364) 22.994 1.048 ( 7.864 -1.905 -23.289) 24.655 1.360 ( 14.065 5.767 -10.366) 18.399 1.754 ( 10.590 17.594 17.906) 27.246 1.948 ( -2.414 12.882 -12.266) 17.951 2.122 ( 2.079 7.130 -0.324) 7.434 2.129 ( -0.937 3.427 8.927) 9.608 2.214 ( -1.981 4.685 7.237) 8.846 2.278 ( 5.182 -3.108 9.864) 11.567 2.450 ( -4.424 3.438 0.555) 5.630 2.525 ( 3.888 5.638 -11.011) 12.968 2.582 ( -0.665 0.648 -3.172) 3.305 2.655 ( 6.269 -2.925 -6.650) 9.595 2.781 ( 1.863 5.825 1.618) 6.326 2.847 ( -3.718 7.053 3.916) 8.883 2.965 ( 7.157 9.996 -4.814) 13.203 3.050 ( 2.845 3.473 -1.454) 4.719 3.119 ( 3.964 1.667 -1.582) 4.582 3.121 ( 1.383 2.497 3.752) 4.714 3.230 ( 6.307 8.145 -6.040) 11.941 3.317 ( 7.724 2.752 1.063) 8.268 3.405 ( 7.806 -4.151 0.898) 8.887 3.641 ( 8.226 -2.718 -0.298) 8.668 3.787 ( -0.737 0.902 -0.722) 1.371 3.797 ( -0.339 4.809 -2.401) 5.385 3.854 ( 0.913 -1.665 5.062) 5.407 3.910 ( -1.824 -1.365 0.840) 2.428 4.005 ( -1.236 0.914 2.201) 2.684 4.056 ( 2.298 -0.332 -6.701) 7.092 4.083 ( 0.134 0.572 -1.536) 1.645 4.175 ( 1.052 4.502 -0.707) 4.677 4.319 ( -2.103 0.818 0.776) 2.386 4.376 ( 2.602 4.220 -2.688) 5.639 4.391 ( 0.945 -1.714 0.505) 2.022 4.492 ( 2.226 0.597 -1.531) 2.767 4.520 ( -3.538 -3.313 7.093) 8.591 4.626 ( -7.635 0.098 -2.312) 7.977 4.739 ( 2.986 -0.092 7.281) 7.870 4.805 ( -5.001 1.609 -0.406) 5.269 4.876 ( -2.561 -0.445 -0.369) 2.625 4.979 ( 1.842 -0.591 -5.862) 6.173 5.020 ( 0.174 1.017 -2.277) 2.500 5.065 ( -3.152 -0.725 -1.138) 3.429 5.132 ( -3.537 -2.773 -0.854) 4.574 5.149 ( -3.735 -0.676 1.192) 3.978 5.238 ( -3.603 1.979 1.644) 4.427 5.337 ( 3.442 0.405 1.549) 3.797 5.406 ( -0.997 -0.718 2.822) 3.078 5.417 ( 2.502 0.197 1.126) 2.750 5.555 ( 1.565 -2.129 -0.718) 2.738 5.652 ( 2.728 -2.505 -0.704) 3.770 5.727 ( 1.967 -0.628 2.948) 3.599 5.801 ( 1.718 -0.180 0.973) 1.983 5.859 ( 0.199 1.190 1.160) 1.674 5.872 ( -2.900 1.781 -4.017) 5.265 5.969 ( -1.830 1.327 9.297) 9.568 6.178 ( -8.748 -0.930 0.223) 8.800 6.292 ( -3.887 -6.174 -0.630) 7.323 6.334 ( -8.557 0.683 -2.418) 8.918 6.472 ( -0.618 -3.330 -4.673) 5.771 6.553 ( -11.276 -1.031 5.061) 12.402 6.633 ( 2.594 0.440 0.593) 2.697 6.792 ( -4.433 -2.347 0.917) 5.099 7.066 ( -1.244 -1.855 3.339) 4.017 7.201 ( 2.197 -2.212 -4.464) 5.444 7.343 ( -4.594 -0.759 1.239) 4.818 7.431 ( 2.507 1.003 0.846) 2.830 7.511 ( -2.712 3.343 -1.882) 4.698 7.563 ( -0.803 -0.915 4.726) 4.880 7.608 ( -0.546 -0.637 -3.686) 3.780 7.798 ( -0.714 -5.140 1.833) 5.503 7.863 ( 1.931 -2.164 -4.050) 4.981 7.914 ( 5.364 0.129 -0.193) 5.369 8.090 ( -3.101 1.009 0.559) 3.309 8.151 ( -0.318 3.933 -0.238) 3.953 9.004 ( -1.438 6.282 -0.155) 6.446 9.055 ( -0.135 1.910 1.169) 2.244 9.078 ( -2.293 7.621 0.403) 7.968 9.220 ( -2.820 10.145 -1.442) 10.627 9.351 ( 0.730 2.254 -2.909) 3.752 9.457 ( -0.617 1.071 -0.597) 1.372 9.471 ( -0.215 -0.219 -0.446) 0.542 9.664 ( 5.080 -8.036 -4.206) 10.396 10.523 ( -1.420 2.482 6.329) 6.945 10.590 ( -2.209 4.195 -8.965) 10.141 11.084 ( 0.736 -2.068 8.046) 8.340 11.203 ( 4.556 0.082 -3.322) 5.639 11.309 ( 1.744 -0.778 -4.296) 4.701 11.367 ( 2.278 -3.494 1.541) 4.446 11.444 ( 0.706 -4.664 -1.084) 4.840 11.473 ( 3.040 -4.623 1.708) 5.790 11.610 ( -3.010 -5.176 -0.370) 5.999 11.647 ( -3.249 -4.431 -0.262) 5.501 11.808 ( 2.729 -1.946 -4.630) 5.716 11.835 ( 4.633 -1.267 5.446) 7.261 12.163 ( 1.109 -6.358 3.165) 7.189 12.247 ( 1.952 -5.235 -2.881) 6.286 12.488 ( -1.794 -3.653 -1.825) 4.460 12.526 ( -0.303 -6.624 1.391) 6.775 12.796 ( 1.273 -0.868 -0.598) 1.653 12.832 ( 3.004 -0.259 1.209) 3.249 13.175 ( -3.452 -1.348 0.319) 3.720 13.229 ( -1.830 -1.197 -0.967) 2.391 13.749 ( -2.327 1.570 -0.773) 2.912 13.832 ( -3.687 4.481 0.296) 5.811 13.959 ( 4.982 0.687 -0.324) 5.039 14.082 ( 5.834 5.194 0.191) 7.813 14.409 ( -3.556 0.205 2.666) 4.449 14.459 ( -2.434 -0.343 -1.179) 2.726 14.486 ( -4.666 -4.086 1.201) 6.318 14.607 ( -2.711 -1.987 -0.188) 3.366 15.217 ( -1.331 2.406 0.068) 2.750 15.239 ( -0.891 3.120 -1.147) 3.442 15.266 ( -1.009 3.502 0.355) 3.662 15.342 ( -0.225 2.388 0.109) 2.401 16.040 ( -2.892 -0.369 0.240) 2.926 16.115 ( -2.476 -1.058 0.083) 2.694 16.355 ( -1.130 0.893 -0.953) 1.727 16.377 ( 0.540 1.031 0.664) 1.340 16.453 ( 5.988 -1.796 -0.276) 6.258 16.475 ( 7.115 -1.446 0.525) 7.279 16.920 ( 1.032 -3.198 0.283) 3.372 16.942 ( 1.909 -2.711 0.333) 3.333 17.579 ( -2.468 -1.768 -1.026) 3.205 17.688 ( -7.943 5.358 0.139) 9.582 17.771 ( 7.362 -4.060 -0.204) 8.410 17.904 ( -3.611 -4.635 3.288) 6.734 18.045 ( 3.961 -2.232 -4.047) 6.087 18.181 ( 3.308 0.488 -1.448) 3.644 18.303 ( -9.062 1.834 5.155) 10.586 18.353 ( -5.114 3.587 -0.833) 6.301 19.518 ( 6.092 -1.912 -0.521) 6.407 19.581 ( 6.223 -0.815 -0.257) 6.281 19.774 ( 2.603 1.079 -0.305) 2.835 19.790 ( 3.367 1.523 0.122) 3.697 20.897 ( 1.041 -1.525 0.576) 1.934 20.943 ( 2.573 -4.218 -1.009) 5.043 21.130 ( 0.424 1.054 -0.072) 1.138 21.153 ( 0.977 0.796 -0.947) 1.576 22.867 ( -5.318 -4.402 10.137) 12.264 23.125 ( -3.077 -8.640 -3.560) 9.838 24.291 ( -0.600 -1.274 0.236) 1.428 24.325 ( -0.360 -1.689 0.035) 1.727 25.289 ( 0.254 0.592 3.958) 4.010 25.360 ( 0.122 0.892 -4.465) 4.555 25.960 ( 1.259 -0.599 4.472) 4.685 25.997 ( -0.435 -0.809 -4.189) 4.288 27.259 ( -1.507 -0.296 -1.766) 2.341 27.298 ( 1.497 1.035 3.419) 3.873 27.354 ( -1.821 -2.650 -0.413) 3.242 27.380 ( -0.360 -2.697 -0.494) 2.765 27.384 ( -1.370 -0.348 -0.255) 1.436 27.490 ( 0.885 2.632 -0.631) 2.848 27.522 ( 1.125 0.724 0.126) 1.344 27.580 ( 1.901 2.600 -0.491) 3.259 27.701 ( -0.540 9.023 0.615) 9.060 27.744 ( -0.099 4.965 -0.344) 4.978 28.140 ( -4.466 15.858 1.425) 16.537 28.249 ( -4.922 13.795 -3.309) 15.016 29.034 ( 0.937 4.585 0.752) 4.740 29.062 ( 2.144 4.872 -0.861) 5.392 29.184 ( 3.303 5.967 0.736) 6.860 29.261 ( 4.528 7.387 -1.421) 8.780 29.939 ( -2.462 -1.190 -0.119) 2.737 30.065 ( 2.853 1.042 -1.137) 3.243 30.201 ( -9.579 -2.857 -1.824) 10.161 30.402 ( -0.766 -5.675 -1.565) 5.937 30.713 ( -15.961 -0.256 -2.016) 16.090 30.834 ( -16.915 -0.573 10.654) 19.999 31.298 ( 3.886 -10.557 -0.498) 11.261 31.715 ( 0.777 -1.089 0.361) 1.386 33.085 ( -2.313 -2.830 -1.535) 3.964 33.111 ( -0.993 -4.322 0.413) 4.454 33.225 ( 1.876 -6.077 1.421) 6.517 33.360 ( 0.280 -0.844 -0.895) 1.262 33.606 ( 14.707 -11.771 0.102) 18.838 33.918 ( 11.643 -7.445 -0.684) 13.837 34.242 ( -0.012 -6.870 -1.024) 6.946 34.348 ( 3.584 -5.902 2.355) 7.295 47.256 ( 0.076 1.420 -0.064) 1.424 47.280 ( 0.385 1.536 -0.354) 1.622 47.453 ( 0.094 1.499 0.305) 1.533 47.462 ( 0.255 1.383 -0.349) 1.449 97.049 ( -1.319 7.974 1.494) 8.220 97.120 ( -1.776 8.636 -2.056) 9.054 97.137 ( -0.477 4.161 0.209) 4.194 97.164 ( -0.489 5.462 -0.654) 5.523 98.794 ( -0.666 -1.028 0.984) 1.571 98.839 ( -0.505 -1.234 -1.151) 1.761 99.312 ( 8.071 -4.470 -2.633) 9.595 99.697 ( 18.201 -18.871 -6.720) 27.066 ======================= Grid point 85 (33/60) ======================= q-point: ( 0.33 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 11.106 11.781 6.426) 17.419 1.152 ( 15.615 9.774 1.300) 18.467 1.271 ( 16.662 -5.896 -7.715) 19.285 1.599 ( 9.635 -0.942 5.319) 11.046 1.824 ( -2.925 13.337 -4.541) 14.390 1.856 ( -15.721 0.910 3.577) 16.149 1.972 ( -1.986 3.670 -3.082) 5.188 2.089 ( -2.435 9.390 3.936) 10.469 2.279 ( -9.065 3.627 -1.724) 9.915 2.295 ( -2.779 4.655 -2.519) 5.978 2.419 ( 7.846 5.153 4.027) 10.214 2.637 ( -2.535 8.505 3.622) 9.585 2.642 ( 9.977 3.111 -5.313) 11.724 2.720 ( 0.483 1.065 -1.881) 2.214 2.788 ( 4.240 0.253 0.113) 4.249 2.841 ( 2.464 2.290 -1.282) 3.600 3.019 ( 3.785 2.288 0.549) 4.457 3.135 ( -0.341 3.096 2.110) 3.762 3.214 ( 12.937 4.086 -1.003) 13.604 3.359 ( 13.419 7.883 -1.541) 15.640 3.471 ( 11.490 -5.065 1.530) 12.650 3.484 ( 12.856 -0.449 -0.147) 12.865 3.609 ( 11.876 0.229 -0.940) 11.915 3.647 ( 1.672 1.596 -1.669) 2.851 3.781 ( 1.046 -2.053 2.869) 3.680 3.822 ( -2.995 -2.548 4.330) 5.849 3.897 ( 2.667 1.966 -3.943) 5.151 3.946 ( -0.173 -0.264 3.433) 3.448 3.995 ( 4.955 -1.546 -0.797) 5.251 4.059 ( -0.520 2.861 -1.230) 3.157 4.106 ( 1.532 -1.527 -1.016) 2.389 4.182 ( -0.680 2.029 -1.123) 2.417 4.256 ( -3.615 -1.855 -1.792) 4.441 4.384 ( -3.318 -0.160 -1.043) 3.482 4.413 ( 0.043 4.029 -2.893) 4.960 4.459 ( -4.342 5.325 2.663) 7.369 4.469 ( -7.084 0.382 0.165) 7.096 4.505 ( -3.763 3.180 -3.936) 6.306 4.669 ( -4.279 2.371 2.213) 5.369 4.734 ( -4.154 -3.516 0.697) 5.487 4.861 ( 1.117 2.402 11.560) 11.859 4.931 ( -1.979 -1.510 -3.573) 4.355 4.991 ( -7.982 -0.246 -0.406) 7.996 5.049 ( -0.506 -2.081 -0.066) 2.143 5.082 ( -2.948 -1.777 1.785) 3.878 5.111 ( 7.200 0.476 -7.447) 10.370 5.183 ( -2.185 3.189 0.000) 3.866 5.277 ( -5.621 0.738 3.671) 6.754 5.485 ( 4.647 -0.784 -3.476) 5.856 5.493 ( 3.029 -0.211 -1.434) 3.358 5.618 ( 4.499 -3.760 1.091) 5.964 5.693 ( 2.110 -1.483 1.387) 2.929 5.766 ( -2.798 -0.983 2.263) 3.731 5.795 ( 1.449 -0.198 -1.110) 1.836 5.859 ( 0.091 2.312 -0.566) 2.382 5.867 ( 0.960 0.759 1.863) 2.229 5.969 ( 0.059 0.385 1.335) 1.390 6.114 ( 2.137 -1.731 3.530) 4.475 6.166 ( -6.096 -3.506 -4.512) 8.355 6.221 ( -1.888 -0.526 -0.164) 1.966 6.325 ( -9.764 0.644 5.742) 11.346 6.412 ( -6.117 -1.158 -2.665) 6.772 6.582 ( -7.248 -0.054 -1.225) 7.351 6.645 ( -9.758 2.195 0.539) 10.017 7.041 ( -2.175 -0.321 3.880) 4.460 7.150 ( -4.869 -0.624 -3.912) 6.277 7.312 ( 2.029 -2.262 1.529) 3.402 7.494 ( 2.449 -0.176 0.756) 2.570 7.531 ( 3.074 -1.649 -1.853) 3.950 7.573 ( 0.553 0.626 -1.705) 1.899 7.592 ( 0.564 0.483 0.821) 1.106 7.741 ( -3.650 -4.190 0.487) 5.579 7.891 ( 0.902 -3.354 2.051) 4.034 8.005 ( 1.973 -1.612 -3.862) 4.627 8.047 ( 0.345 3.063 -0.084) 3.083 8.124 ( -2.130 5.084 -0.344) 5.523 9.001 ( 0.610 5.145 0.407) 5.197 9.030 ( -0.964 0.766 -0.494) 1.327 9.073 ( 0.580 7.885 -0.393) 7.916 9.159 ( -3.351 8.430 -0.400) 9.080 9.393 ( 2.316 1.047 0.687) 2.633 9.437 ( -0.089 1.113 -1.138) 1.594 9.484 ( 0.850 -0.586 2.494) 2.699 9.677 ( -1.551 -6.503 -2.787) 7.243 10.489 ( -2.955 3.237 5.931) 7.375 10.557 ( 0.614 4.490 -8.581) 9.704 11.100 ( -1.246 -0.799 10.761) 10.862 11.282 ( 3.797 -0.739 -8.021) 8.905 11.313 ( 0.709 0.212 -2.771) 2.868 11.411 ( 0.798 -3.203 1.956) 3.837 11.471 ( 2.316 -5.307 -0.260) 5.796 11.504 ( -0.354 -6.151 0.178) 6.164 11.567 ( -1.371 -6.660 -0.534) 6.820 11.605 ( -0.869 -4.675 -0.125) 4.757 11.868 ( 3.949 -2.478 -3.431) 5.789 11.896 ( 0.396 -0.801 5.761) 5.830 12.197 ( 1.606 -7.565 2.200) 8.041 12.281 ( 1.735 -4.669 -2.884) 5.755 12.466 ( 0.024 -3.106 -1.343) 3.384 12.501 ( -2.148 -5.664 1.360) 6.209 12.848 ( 3.781 -0.274 -0.612) 3.840 12.896 ( 3.070 0.286 0.664) 3.154 13.096 ( -4.190 -0.264 0.437) 4.221 13.169 ( -3.902 -0.581 -1.028) 4.077 13.722 ( -0.424 2.828 -0.782) 2.965 13.763 ( -2.924 4.577 0.044) 5.431 14.060 ( 4.608 -0.616 0.392) 4.665 14.175 ( 3.127 3.131 -0.573) 4.462 14.347 ( -2.482 -0.790 3.279) 4.187 14.416 ( -2.373 -1.149 -0.022) 2.637 14.421 ( -0.951 0.369 -1.443) 1.767 14.526 ( -4.808 1.531 -0.230) 5.051 15.187 ( -1.363 2.869 -0.387) 3.199 15.215 ( -1.048 3.169 -2.004) 3.893 15.275 ( 1.273 2.020 0.958) 2.573 15.332 ( -0.817 1.989 0.690) 2.258 16.002 ( -1.067 -1.561 0.270) 1.910 16.062 ( -2.602 -2.085 -0.115) 3.336 16.341 ( -0.108 0.857 0.052) 0.865 16.379 ( -0.392 1.098 0.078) 1.168 16.558 ( 4.277 -1.112 0.653) 4.467 16.588 ( 4.019 -1.056 -0.461) 4.181 16.947 ( 1.357 -3.259 0.588) 3.579 16.975 ( 1.241 -2.589 -0.283) 2.885 17.545 ( -0.881 -0.657 -0.337) 1.150 17.582 ( -3.330 1.535 -0.002) 3.666 17.846 ( -0.527 -2.673 1.120) 2.945 17.902 ( 2.658 -4.073 0.645) 4.906 18.092 ( 0.471 -1.505 -4.118) 4.409 18.141 ( -2.683 1.890 1.383) 3.561 18.244 ( 1.087 -0.300 0.852) 1.413 18.290 ( -2.304 1.437 0.721) 2.809 19.593 ( 1.570 -2.987 3.523) 4.879 19.665 ( 3.076 -1.645 -3.858) 5.202 19.832 ( 2.654 0.894 0.271) 2.814 19.849 ( 2.262 1.403 -0.306) 2.679 20.926 ( 1.388 -1.734 1.501) 2.680 20.978 ( 1.251 -4.406 -1.415) 4.793 21.140 ( 0.631 0.704 -0.234) 0.974 21.165 ( 0.261 0.707 -0.645) 0.992 22.822 ( -1.251 -1.812 7.108) 7.442 23.038 ( -4.239 -5.328 -4.438) 8.127 24.285 ( -0.096 -1.481 0.027) 1.484 24.308 ( -1.121 -1.271 0.026) 1.695 25.299 ( -0.059 0.435 3.776) 3.801 25.361 ( 0.765 0.705 -3.733) 3.876 25.981 ( 0.058 -1.475 2.886) 3.241 25.991 ( 0.579 -1.012 -2.769) 3.004 27.241 ( 0.062 -0.162 -0.765) 0.784 27.313 ( -0.881 -0.240 1.596) 1.839 27.321 ( -1.409 -1.529 -0.155) 2.085 27.344 ( -1.268 0.263 0.332) 1.337 27.402 ( 1.809 -2.825 -0.852) 3.461 27.484 ( -0.786 2.488 -0.529) 2.662 27.562 ( 1.932 0.538 0.967) 2.227 27.609 ( 1.106 2.410 -0.535) 2.705 27.696 ( -0.038 9.778 -0.042) 9.778 27.723 ( -1.723 6.839 -0.188) 7.055 28.082 ( -0.703 13.549 -0.917) 13.598 28.164 ( -3.948 12.432 0.390) 13.050 29.066 ( 1.625 4.363 1.606) 4.925 29.102 ( 2.122 5.271 -1.519) 5.881 29.246 ( 2.955 4.235 0.855) 5.234 29.354 ( 3.589 5.900 0.416) 6.919 29.870 ( -3.235 -0.889 -4.892) 5.932 29.992 ( -7.459 3.779 -4.520) 9.505 30.140 ( 2.588 -0.804 2.515) 3.697 30.339 ( -4.141 -1.337 -3.304) 5.464 30.506 ( -7.003 -3.150 17.308) 18.935 30.684 ( -1.827 -1.560 -6.057) 6.516 31.376 ( 4.219 -5.054 0.428) 6.598 31.643 ( -5.854 -0.214 -1.683) 6.095 33.034 ( -1.309 -2.906 0.925) 3.319 33.089 ( -1.505 -4.348 -0.286) 4.610 33.295 ( 3.453 -6.486 1.207) 7.446 33.361 ( -0.161 -3.120 0.053) 3.124 33.813 ( 5.555 -8.458 0.260) 10.122 34.012 ( 0.515 -1.734 -7.595) 7.807 34.291 ( 4.753 -14.113 2.244) 15.060 34.415 ( 1.885 -8.893 2.765) 9.502 47.262 ( 0.468 1.294 -0.022) 1.376 47.280 ( -0.225 1.452 -0.125) 1.475 47.455 ( 0.062 1.468 0.410) 1.526 47.465 ( 0.195 1.352 -0.433) 1.433 97.037 ( 0.017 6.970 0.529) 6.990 97.080 ( -1.757 7.982 -0.135) 8.174 97.142 ( 0.440 3.164 -0.095) 3.196 97.159 ( -0.252 3.846 -0.234) 3.861 98.801 ( 0.513 -1.331 1.657) 2.186 98.832 ( 0.118 -1.248 -1.398) 1.878 99.507 ( 10.232 -6.897 2.515) 12.593 99.868 ( 2.801 -15.966 -7.198) 17.736 ======================= Grid point 86 (34/60) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -3.060 8.009 8.810) 12.294 1.283 ( -9.796 6.168 -0.092) 11.576 1.548 ( 3.125 -3.326 -5.030) 6.792 1.606 ( 10.057 2.471 -4.705) 11.375 1.731 ( 5.181 -1.804 7.436) 9.241 1.825 ( 3.127 11.357 1.664) 11.896 1.993 ( 4.800 10.534 -0.235) 11.578 2.051 ( -2.747 5.046 -1.598) 5.964 2.092 ( -9.068 0.492 -3.526) 9.742 2.201 ( -2.932 5.668 -8.318) 10.484 2.484 ( -3.011 9.651 11.638) 15.416 2.614 ( 4.231 2.532 0.202) 4.935 2.698 ( -6.050 3.695 -2.081) 7.389 2.734 ( 1.551 5.984 -5.546) 8.305 2.816 ( -1.107 -0.097 7.149) 7.235 2.938 ( 5.639 2.221 -4.433) 7.509 3.080 ( -2.458 -1.526 1.710) 3.361 3.137 ( 3.775 -0.336 -5.236) 6.464 3.406 ( -1.689 2.478 2.615) 3.979 3.411 ( -2.636 -0.843 2.419) 3.676 3.622 ( -0.759 -5.129 0.159) 5.187 3.636 ( 1.908 -2.605 -0.307) 3.243 3.711 ( 1.321 -2.009 3.341) 4.116 3.804 ( 1.528 -0.199 -1.343) 2.044 3.837 ( -4.743 1.320 0.400) 4.940 3.873 ( 0.077 2.519 -3.075) 3.976 3.892 ( 5.172 0.038 2.900) 5.929 3.917 ( 4.452 -0.910 0.448) 4.566 3.991 ( -0.132 -1.775 -2.551) 3.111 4.037 ( -3.856 3.123 -1.310) 5.132 4.115 ( -3.151 -2.504 -1.105) 4.174 4.156 ( 1.833 2.134 -3.108) 4.192 4.253 ( 0.566 2.882 4.093) 5.038 4.296 ( -3.207 0.713 1.052) 3.450 4.327 ( 2.036 1.152 0.918) 2.513 4.380 ( -1.650 6.302 -3.460) 7.376 4.405 ( -2.569 6.304 0.322) 6.815 4.461 ( 3.600 4.844 -5.046) 7.867 4.664 ( -0.765 0.794 4.252) 4.392 4.708 ( 1.627 -1.540 0.221) 2.251 4.851 ( -4.170 -0.568 2.303) 4.797 4.878 ( -0.838 -0.356 9.127) 9.172 4.915 ( -0.056 -1.643 -1.904) 2.516 5.053 ( 0.182 -0.162 1.678) 1.696 5.078 ( 3.676 -0.693 1.163) 3.917 5.128 ( -2.916 0.667 -1.638) 3.411 5.173 ( -4.161 3.681 1.181) 5.679 5.285 ( 9.574 -0.802 -10.132) 13.963 5.502 ( -1.942 -0.432 -0.460) 2.042 5.530 ( 0.093 -0.614 -3.438) 3.494 5.668 ( -2.768 -3.004 5.448) 6.809 5.732 ( 2.987 -2.981 0.396) 4.238 5.755 ( 1.912 -0.580 -1.114) 2.288 5.782 ( 0.346 -1.947 -4.213) 4.654 5.865 ( 0.049 2.834 1.946) 3.438 5.888 ( 0.076 0.054 -0.506) 0.515 5.999 ( 2.623 0.216 0.453) 2.671 6.014 ( -6.008 -1.661 -0.720) 6.275 6.203 ( -2.950 -1.101 4.338) 5.360 6.222 ( 1.522 -0.542 1.003) 1.902 6.277 ( 3.503 -3.627 4.861) 7.004 6.343 ( 2.952 -1.963 -1.152) 3.728 6.456 ( -1.544 5.158 -0.849) 5.450 6.485 ( -3.387 4.684 -2.810) 6.427 7.021 ( 0.045 -0.250 3.074) 3.084 7.089 ( -0.052 -0.332 -3.149) 3.167 7.384 ( 3.111 -1.276 4.133) 5.328 7.464 ( -4.351 -1.256 -3.265) 5.583 7.549 ( -0.310 -0.064 0.224) 0.388 7.593 ( 2.094 -0.014 -3.070) 3.717 7.649 ( 3.194 -2.272 1.003) 4.046 7.688 ( -1.673 -3.032 -1.773) 3.890 7.885 ( -2.612 -2.876 6.797) 7.829 8.007 ( 0.977 -1.656 -4.759) 5.132 8.077 ( -2.417 5.400 -0.232) 5.921 8.085 ( 1.970 3.029 -1.096) 3.775 8.994 ( -1.256 2.756 1.834) 3.541 9.042 ( 1.755 3.168 -2.443) 4.369 9.087 ( -0.867 5.546 0.653) 5.651 9.108 ( 0.228 9.322 -1.074) 9.387 9.413 ( 0.259 -1.471 1.141) 1.880 9.446 ( 0.553 0.553 -1.376) 1.583 9.527 ( 2.687 0.107 5.146) 5.807 9.624 ( -3.014 -4.613 -4.078) 6.855 10.441 ( -2.716 4.348 5.069) 7.209 10.581 ( 3.215 3.968 -8.484) 9.903 11.080 ( -2.711 0.764 11.986) 12.313 11.307 ( 2.017 -1.316 -8.734) 9.060 11.354 ( 0.995 -1.962 1.192) 2.503 11.390 ( -0.745 -0.819 -3.256) 3.439 11.508 ( 0.467 -6.533 0.807) 6.600 11.521 ( 2.008 -6.802 -0.344) 7.100 11.549 ( 0.225 -5.416 0.896) 5.494 11.581 ( -1.816 -5.764 -1.930) 6.344 11.871 ( -3.239 -0.996 5.073) 6.101 11.939 ( 3.006 -2.814 -1.651) 4.436 12.222 ( 0.366 -6.898 2.383) 7.307 12.290 ( -0.345 -4.898 -3.778) 6.196 12.464 ( -1.720 -4.254 1.257) 4.758 12.481 ( 1.412 -3.821 -0.253) 4.081 12.908 ( -2.770 0.086 0.240) 2.781 12.916 ( 2.359 0.024 -0.249) 2.373 13.065 ( 1.284 0.574 1.482) 2.044 13.103 ( -1.061 -0.075 -1.983) 2.251 13.716 ( -0.917 3.503 0.614) 3.673 13.735 ( 0.778 4.133 -1.144) 4.358 14.125 ( 1.596 -0.528 2.216) 2.781 14.174 ( -2.199 -0.372 -2.529) 3.372 14.344 ( 0.967 -0.140 3.602) 3.732 14.389 ( -0.422 0.089 -0.710) 0.831 14.431 ( -1.003 1.927 0.316) 2.195 14.454 ( 1.013 1.961 -1.773) 2.831 15.174 ( 0.070 3.019 -0.020) 3.020 15.198 ( -0.103 3.230 -2.507) 4.090 15.299 ( 0.185 2.041 1.606) 2.604 15.316 ( -0.425 1.432 0.398) 1.546 16.004 ( 1.064 -2.542 0.855) 2.885 16.024 ( -0.978 -1.908 -0.945) 2.343 16.350 ( 0.903 1.074 0.760) 1.596 16.366 ( -0.730 0.937 -0.719) 1.389 16.597 ( -0.660 -1.104 1.608) 2.059 16.632 ( 0.875 -0.650 -1.587) 1.925 16.963 ( -0.032 -3.096 1.104) 3.287 16.984 ( -0.119 -2.929 -0.845) 3.051 17.542 ( -0.362 0.207 0.229) 0.476 17.548 ( 0.328 -0.184 -0.308) 0.486 17.863 ( 1.614 -1.519 1.688) 2.786 17.881 ( -1.991 -1.064 0.003) 2.257 18.100 ( -2.175 -1.369 -0.136) 2.574 18.136 ( 2.698 -1.050 -3.141) 4.272 18.247 ( -1.156 -0.904 2.249) 2.685 18.277 ( 0.996 0.136 -0.548) 1.144 19.604 ( -0.996 -2.044 4.131) 4.716 19.697 ( 1.251 -2.527 -4.354) 5.187 19.852 ( -0.675 1.223 1.146) 1.807 19.878 ( 0.858 0.880 -1.165) 1.693 20.945 ( 0.081 -1.781 1.916) 2.617 20.987 ( 0.099 -4.331 -1.811) 4.695 21.150 ( 0.308 0.909 0.077) 0.963 21.162 ( -0.328 0.243 -0.605) 0.730 22.836 ( 1.215 -2.339 6.799) 7.292 22.972 ( -1.365 -3.214 -5.570) 6.574 24.284 ( -0.436 -0.834 0.563) 1.097 24.295 ( 0.389 -1.542 -0.466) 1.657 25.298 ( -0.665 0.571 3.323) 3.437 25.372 ( 0.978 0.430 -3.412) 3.575 25.967 ( -1.894 -1.608 1.992) 3.184 26.009 ( 1.594 -1.293 -1.873) 2.779 27.258 ( 1.461 -0.817 0.692) 1.811 27.274 ( -2.154 -0.135 -0.909) 2.341 27.318 ( 0.755 -0.595 0.693) 1.185 27.333 ( -0.201 -0.657 -0.309) 0.753 27.439 ( 1.608 -1.786 0.760) 2.520 27.461 ( -1.249 2.017 -1.430) 2.770 27.585 ( -0.102 0.955 2.101) 2.310 27.615 ( -0.370 1.163 -0.879) 1.504 27.697 ( -0.526 9.230 -0.245) 9.248 27.703 ( 0.821 9.334 -0.583) 9.388 28.098 ( -2.734 11.864 0.091) 12.175 28.103 ( 2.495 12.157 -0.245) 12.413 29.085 ( -0.153 4.742 1.882) 5.104 29.128 ( 0.636 4.905 -1.875) 5.290 29.300 ( 2.443 4.084 2.683) 5.463 29.361 ( -2.252 5.591 -2.958) 6.714 29.837 ( -4.076 1.199 -0.240) 4.255 29.899 ( 2.846 1.783 -5.257) 6.239 30.187 ( 1.368 -0.970 4.943) 5.220 30.251 ( -4.869 -1.409 -1.079) 5.182 30.456 ( -1.438 0.751 13.038) 13.138 30.698 ( 4.128 -4.880 -8.759) 10.843 31.457 ( 1.267 0.364 2.764) 3.062 31.541 ( -0.728 -4.529 -4.650) 6.532 33.035 ( 0.695 -3.904 1.508) 4.242 33.060 ( -1.121 -3.721 -0.771) 3.962 33.347 ( 0.107 -5.641 0.946) 5.721 33.353 ( 0.773 -4.685 0.679) 4.797 33.826 ( -4.060 -2.191 5.409) 7.109 34.006 ( 1.941 -4.930 -11.161) 12.355 34.364 ( 0.331 -11.540 5.040) 12.597 34.440 ( 1.930 -12.740 -1.667) 12.993 47.270 ( 0.072 1.428 0.169) 1.440 47.275 ( -0.054 1.265 -0.232) 1.288 47.456 ( -0.049 1.455 0.470) 1.530 47.467 ( 0.031 1.353 -0.474) 1.434 97.044 ( -0.225 6.474 0.802) 6.528 97.059 ( 0.395 7.292 -0.581) 7.326 97.149 ( 0.161 3.553 0.006) 3.556 97.153 ( -0.266 3.191 -0.233) 3.211 98.806 ( -0.255 -1.331 1.361) 1.920 98.836 ( 0.413 -1.408 -1.331) 1.981 99.661 ( 3.980 -8.637 6.851) 11.721 99.830 ( -4.484 -13.196 -8.563) 16.358 ======================= Grid point 87 (35/60) ======================= q-point: (-0.33 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -19.216 6.557 10.062) 22.661 0.992 ( -14.774 7.492 4.504) 17.167 1.484 ( -7.943 2.270 -12.026) 14.590 1.732 ( -5.349 16.360 1.134) 17.250 1.823 ( -8.458 2.107 -10.022) 13.282 1.866 ( 0.085 1.123 2.562) 2.799 2.012 ( 15.319 -0.117 -4.279) 15.906 2.069 ( 5.585 3.010 4.858) 7.991 2.188 ( 9.399 3.111 4.914) 11.053 2.223 ( 7.091 7.103 -0.411) 10.045 2.424 ( -5.603 6.893 13.454) 16.122 2.527 ( -10.486 5.611 -3.907) 12.518 2.630 ( -11.515 5.222 0.381) 12.650 2.739 ( 6.982 5.674 -1.465) 9.116 2.812 ( -0.051 -2.286 -2.103) 3.106 2.892 ( -6.278 1.053 -4.833) 7.993 3.067 ( 0.537 2.797 -0.991) 3.015 3.119 ( -10.917 5.145 5.868) 13.419 3.220 ( -3.561 8.622 -4.339) 10.288 3.346 ( -7.762 -4.581 -0.103) 9.013 3.455 ( -13.743 -0.663 0.774) 13.781 3.548 ( -14.189 -0.439 -2.049) 14.343 3.598 ( -8.119 -3.224 -2.509) 9.089 3.694 ( -0.650 -0.343 -3.821) 3.891 3.769 ( -1.426 -1.734 3.014) 3.758 3.842 ( -7.546 0.921 1.362) 7.723 3.911 ( -2.088 -1.060 3.980) 4.618 3.957 ( 4.588 0.555 -3.606) 5.861 3.986 ( -4.265 -0.277 1.761) 4.623 4.014 ( -4.194 1.289 1.555) 4.655 4.070 ( 0.499 3.748 -1.062) 3.927 4.219 ( 2.927 -1.232 2.752) 4.202 4.243 ( 3.538 3.960 -5.999) 8.012 4.314 ( 1.022 3.834 2.429) 4.653 4.390 ( 1.487 -0.196 -0.957) 1.779 4.429 ( 2.072 0.800 1.243) 2.545 4.493 ( 7.572 3.277 0.170) 8.253 4.534 ( 5.323 2.615 -3.215) 6.746 4.664 ( 1.968 -2.712 3.182) 4.621 4.765 ( 3.613 0.326 0.152) 3.630 4.811 ( -1.504 -2.316 5.458) 6.117 4.953 ( 7.132 -2.121 2.369) 7.809 4.975 ( 2.754 0.281 1.319) 3.067 5.032 ( 0.181 2.034 -2.348) 3.112 5.066 ( -0.056 2.849 2.849) 4.029 5.111 ( 0.021 1.941 -5.619) 5.945 5.193 ( 3.681 3.578 0.174) 5.136 5.410 ( -6.401 -1.712 2.047) 6.935 5.420 ( 5.591 -4.777 -7.671) 10.626 5.499 ( -2.088 0.969 -1.537) 2.768 5.612 ( -4.676 -5.752 2.395) 7.790 5.727 ( -3.858 -1.686 -0.960) 4.318 5.745 ( -0.626 0.127 2.007) 2.106 5.811 ( -2.919 0.221 -0.877) 3.056 5.857 ( -1.145 0.114 -0.976) 1.509 5.902 ( 5.961 2.671 1.735) 6.759 5.997 ( 4.903 -1.504 -2.933) 5.908 6.074 ( 3.987 -1.651 3.424) 5.509 6.173 ( -0.079 -2.242 0.856) 2.402 6.229 ( 2.201 0.418 -1.269) 2.575 6.302 ( 1.767 -1.043 3.423) 3.991 6.464 ( 8.033 -2.242 -3.515) 9.050 6.545 ( 8.365 2.610 1.190) 8.843 6.608 ( 10.472 2.530 2.804) 11.132 7.058 ( 2.671 -0.397 4.134) 4.938 7.135 ( 4.498 -0.823 -4.091) 6.136 7.345 ( -4.261 -1.824 -0.992) 4.740 7.431 ( -1.021 -0.730 3.016) 3.266 7.544 ( -0.387 1.989 0.363) 2.058 7.585 ( -2.254 -4.171 -4.471) 6.517 7.681 ( 1.296 -1.647 -5.865) 6.228 7.716 ( 4.008 -2.209 2.493) 5.211 7.826 ( -4.689 -1.803 7.246) 8.817 7.993 ( -2.934 1.292 -2.425) 4.020 8.055 ( 1.396 1.293 -0.722) 2.035 8.122 ( 1.936 4.761 -0.232) 5.144 8.977 ( -0.340 4.345 1.113) 4.498 9.054 ( -1.037 7.765 -0.362) 7.842 9.071 ( 1.203 2.152 -1.044) 2.678 9.150 ( 2.752 7.245 -0.160) 7.751 9.418 ( 0.081 -1.334 0.768) 1.542 9.453 ( 0.231 -0.214 -2.623) 2.641 9.543 ( -3.469 -2.081 -3.152) 5.129 9.590 ( 1.460 -0.631 3.739) 4.063 10.418 ( -0.341 4.634 4.218) 6.276 10.634 ( 3.431 2.989 -7.692) 8.937 11.052 ( -2.223 0.991 10.991) 11.257 11.305 ( -1.517 -1.407 -2.416) 3.180 11.330 ( -0.936 -1.411 -7.369) 7.561 11.433 ( 3.495 -3.132 0.784) 4.758 11.485 ( -4.073 -4.839 -1.824) 6.583 11.513 ( -1.007 -7.614 0.023) 7.681 11.570 ( 2.251 -6.988 -1.054) 7.417 11.593 ( 2.417 -4.295 0.579) 4.962 11.799 ( -4.842 -1.875 3.129) 6.062 11.968 ( -0.023 -1.872 -0.748) 2.016 12.211 ( -2.104 -5.104 2.676) 6.135 12.265 ( -0.929 -6.436 -3.297) 7.291 12.441 ( -0.799 -2.927 0.644) 3.102 12.513 ( 1.667 -4.958 0.266) 5.237 12.834 ( -3.982 0.498 0.330) 4.027 12.903 ( -2.867 0.324 0.128) 2.888 13.109 ( 3.789 -1.092 -0.172) 3.947 13.155 ( 4.186 0.213 -0.380) 4.208 13.707 ( 0.204 2.714 0.178) 2.728 13.771 ( 2.902 4.800 -0.468) 5.629 14.072 ( -5.584 -1.095 -0.505) 5.712 14.156 ( -1.616 1.731 0.878) 2.526 14.361 ( 0.788 0.278 3.549) 3.646 14.399 ( 1.995 0.286 -1.487) 2.504 14.420 ( 1.401 0.461 -0.305) 1.506 14.535 ( 5.285 0.777 -0.674) 5.384 15.187 ( 1.094 2.306 -0.224) 2.562 15.205 ( 1.196 3.440 -1.361) 3.888 15.279 ( -1.259 2.297 0.412) 2.652 15.326 ( 0.401 2.572 1.186) 2.861 16.016 ( 0.781 -1.716 -0.625) 1.986 16.053 ( 3.204 -3.028 0.520) 4.439 16.353 ( -0.419 0.633 -0.889) 1.169 16.374 ( 1.322 1.382 0.573) 1.996 16.548 ( -4.377 -1.542 0.820) 4.712 16.606 ( -3.543 -0.229 -1.132) 3.727 16.948 ( -1.477 -3.060 0.681) 3.465 16.969 ( -1.335 -3.060 -0.097) 3.340 17.542 ( 0.759 -0.351 -0.177) 0.855 17.582 ( 3.305 1.737 0.037) 3.734 17.860 ( -0.082 -2.816 -0.103) 2.819 17.899 ( -0.281 -4.210 1.637) 4.526 18.034 ( -2.679 -1.148 -0.396) 2.942 18.181 ( 1.648 1.527 -1.838) 2.903 18.230 ( -0.284 0.134 1.649) 1.678 18.311 ( 2.751 0.920 -0.360) 2.923 19.571 ( -3.118 -1.029 2.911) 4.388 19.696 ( -0.719 -3.511 -3.755) 5.191 19.819 ( -2.737 1.286 0.647) 3.093 19.872 ( -1.476 -0.263 -1.384) 2.040 20.936 ( -1.264 -2.147 1.494) 2.905 20.976 ( -1.042 -4.053 -1.898) 4.595 21.140 ( -1.187 0.646 -0.322) 1.390 21.160 ( 0.018 0.627 -0.248) 0.674 22.892 ( 3.011 -5.019 9.216) 10.918 22.971 ( 2.598 -3.161 -6.683) 7.836 24.279 ( 0.054 -1.015 0.353) 1.076 24.312 ( 1.076 -1.301 -0.202) 1.700 25.288 ( -0.889 0.833 3.024) 3.260 25.383 ( 0.698 0.223 -3.662) 3.735 25.930 ( -1.993 -0.977 2.184) 3.114 26.035 ( 1.202 -1.437 -1.576) 2.448 27.237 ( -1.196 0.360 -0.478) 1.337 27.299 ( 2.266 -1.715 1.809) 3.369 27.333 ( 0.710 -1.908 -0.826) 2.197 27.346 ( 1.519 -0.882 0.457) 1.815 27.422 ( -1.674 2.016 -2.337) 3.511 27.472 ( 1.027 -0.344 0.798) 1.345 27.561 ( -2.368 0.944 1.049) 2.757 27.600 ( -0.988 2.421 -0.175) 2.621 27.697 ( 0.450 8.412 -0.114) 8.425 27.725 ( 1.272 8.021 -0.305) 8.127 28.064 ( -0.455 13.365 0.269) 13.375 28.174 ( 4.842 13.343 -0.261) 14.197 29.067 ( -1.834 4.870 1.355) 5.377 29.112 ( -1.839 3.863 -2.017) 4.730 29.287 ( -4.179 5.091 -2.303) 6.977 29.357 ( 2.492 6.730 0.846) 7.226 29.749 ( -2.445 1.964 2.158) 3.807 30.001 ( 5.274 2.989 -3.757) 7.132 30.140 ( -5.594 -1.800 3.288) 6.734 30.248 ( 4.229 -1.358 5.071) 6.741 30.485 ( 2.323 2.571 6.829) 7.658 30.796 ( 7.306 -6.137 -5.575) 11.051 31.387 ( -4.899 -6.534 -0.185) 8.169 31.646 ( 7.609 0.487 -1.927) 7.864 33.041 ( -0.318 -4.170 1.020) 4.305 33.063 ( 1.473 -3.764 0.634) 4.091 33.316 ( -2.294 -5.390 0.412) 5.873 33.376 ( 0.548 -4.737 -1.195) 4.916 33.715 ( -7.676 -1.935 3.823) 8.791 34.035 ( 1.893 -6.179 -5.542) 8.513 34.323 ( -4.110 -10.368 -0.306) 11.157 34.472 ( 0.218 -15.222 -1.253) 15.275 47.263 ( -0.533 1.165 -0.043) 1.282 47.280 ( 0.278 1.613 -0.110) 1.640 47.455 ( -0.144 1.443 0.447) 1.517 47.465 ( -0.136 1.382 -0.429) 1.453 97.035 ( -0.224 6.585 0.539) 6.611 97.092 ( 2.760 8.490 -0.760) 8.960 97.144 ( -0.347 3.528 -0.179) 3.549 97.153 ( -0.028 3.515 0.147) 3.518 98.803 ( -0.136 -1.159 1.377) 1.805 98.839 ( 0.051 -1.616 -1.598) 2.273 99.618 ( -10.897 -12.038 -2.941) 16.502 99.716 ( -5.174 -9.405 0.739) 10.760 ======================= Grid point 88 (36/60) ======================= q-point: (-0.17 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -7.571 12.963 13.404) 20.126 0.754 ( -11.460 9.415 8.820) 17.256 1.272 ( -9.158 6.311 -19.532) 22.476 1.471 ( -16.827 5.899 -19.005) 26.060 1.607 ( -10.700 26.235 15.376) 32.236 1.900 ( 1.842 -0.951 11.016) 11.209 2.148 ( 0.134 1.270 0.107) 1.282 2.206 ( 0.392 5.143 1.450) 5.358 2.236 ( -6.055 4.824 7.738) 10.946 2.343 ( 3.060 1.925 3.675) 5.155 2.391 ( -8.932 -0.275 8.766) 12.518 2.426 ( 3.647 10.223 -9.806) 14.627 2.491 ( 10.770 3.434 -1.698) 11.431 2.725 ( -2.958 -4.117 -12.245) 13.253 2.811 ( -2.266 5.491 0.455) 5.958 2.878 ( -9.233 6.623 1.754) 11.497 2.932 ( 6.383 2.730 -0.711) 6.979 3.035 ( -2.861 5.127 0.708) 5.914 3.129 ( -15.058 6.723 0.004) 16.491 3.176 ( -3.232 9.167 -4.888) 10.880 3.253 ( 2.116 2.899 -6.586) 7.501 3.351 ( -7.941 -1.588 -1.138) 8.178 3.441 ( -7.432 -4.222 -3.081) 9.086 3.552 ( -13.393 0.657 7.430) 15.330 3.746 ( 1.040 -3.059 1.704) 3.653 3.815 ( 1.043 -0.446 -1.952) 2.257 3.893 ( 3.411 0.413 -0.488) 3.470 3.918 ( -4.681 2.479 3.894) 6.575 3.962 ( -0.898 3.317 -0.464) 3.467 4.044 ( 4.367 2.317 -2.650) 5.609 4.101 ( 0.937 -1.116 -1.878) 2.377 4.191 ( -1.747 4.668 -2.872) 5.753 4.292 ( -2.965 2.423 4.717) 6.075 4.318 ( 1.069 1.125 0.844) 1.766 4.406 ( 2.639 -1.390 0.063) 2.983 4.451 ( -0.302 1.026 2.107) 2.363 4.563 ( 0.502 -1.549 3.280) 3.661 4.621 ( 2.592 -2.048 -2.517) 4.153 4.717 ( 3.603 0.869 5.010) 6.232 4.815 ( 0.642 -2.397 2.527) 3.542 4.875 ( 6.049 0.068 -1.722) 6.290 4.949 ( -2.845 -0.935 -3.612) 4.692 4.994 ( -0.637 3.690 -0.090) 3.746 5.077 ( 3.434 2.199 -2.146) 4.608 5.132 ( 4.148 -2.608 0.033) 4.899 5.187 ( 0.847 -1.658 -2.236) 2.910 5.262 ( 3.736 1.283 0.089) 3.951 5.315 ( -1.897 2.898 2.418) 4.224 5.430 ( -0.825 -0.837 -0.117) 1.182 5.501 ( 2.331 -4.446 -4.815) 6.956 5.538 ( -1.808 -3.298 1.608) 4.091 5.594 ( -7.760 -1.021 3.738) 8.673 5.745 ( -1.063 -0.238 4.020) 4.165 5.779 ( -0.727 2.308 -1.304) 2.749 5.815 ( -1.091 1.565 -0.776) 2.060 6.016 ( -2.499 -1.731 -7.797) 8.368 6.072 ( 7.658 -4.382 3.251) 9.403 6.202 ( 8.993 1.000 -0.611) 9.069 6.223 ( 5.238 -6.744 2.095) 8.792 6.329 ( 6.698 0.402 0.253) 6.715 6.368 ( 2.523 -1.127 2.148) 3.500 6.595 ( 3.432 -4.257 0.979) 5.555 6.680 ( 5.901 0.734 -3.260) 6.782 6.772 ( 4.538 -0.258 3.270) 5.600 7.095 ( -1.129 -2.947 4.261) 5.303 7.166 ( 0.282 -2.315 -4.803) 5.339 7.353 ( 3.370 -0.041 0.197) 3.376 7.415 ( 0.531 -0.057 2.172) 2.236 7.514 ( -0.661 -0.395 -0.279) 0.819 7.562 ( 0.661 1.241 -1.672) 2.185 7.690 ( 0.723 -0.128 -6.226) 6.269 7.736 ( -5.628 0.551 5.626) 7.977 7.801 ( 3.427 -4.177 2.193) 5.831 7.921 ( -3.474 0.003 -0.862) 3.580 8.097 ( 2.340 1.027 -0.031) 2.555 8.151 ( 0.813 4.062 -0.199) 4.148 9.004 ( 2.480 6.605 -0.261) 7.060 9.057 ( 2.469 5.300 1.485) 6.033 9.090 ( 1.181 3.081 0.012) 3.299 9.195 ( 2.150 7.844 -1.263) 8.231 9.398 ( -4.345 3.479 -6.891) 8.859 9.427 ( 0.325 -0.520 0.259) 0.665 9.496 ( -1.137 -0.985 -0.411) 1.560 9.590 ( -2.813 0.302 1.915) 3.416 10.448 ( 2.412 3.884 4.338) 6.303 10.668 ( 1.312 2.266 -7.274) 7.731 11.038 ( -0.928 0.451 7.942) 8.009 11.274 ( -2.048 -0.985 -3.020) 3.779 11.292 ( -0.592 -0.894 -4.170) 4.306 11.377 ( -4.690 -6.050 0.446) 7.668 11.461 ( -3.104 -6.688 -2.522) 7.793 11.515 ( -0.112 -4.871 -1.427) 5.077 11.608 ( 2.807 -6.002 -0.819) 6.676 11.646 ( 2.939 -3.922 -0.208) 4.906 11.716 ( -3.440 -1.700 4.123) 5.633 11.922 ( -4.552 -1.261 -2.595) 5.389 12.171 ( -1.994 -4.010 2.988) 5.384 12.248 ( -0.521 -6.695 -3.456) 7.552 12.443 ( 1.233 -2.782 2.114) 3.706 12.537 ( 0.595 -5.946 0.200) 5.979 12.778 ( -1.600 0.486 0.619) 1.783 12.849 ( -2.428 -0.800 0.091) 2.558 13.182 ( 3.176 -1.869 0.070) 3.685 13.219 ( 2.207 -0.657 -0.520) 2.360 13.733 ( 2.647 1.774 0.332) 3.204 13.840 ( 3.779 4.514 -0.230) 5.892 13.956 ( -5.513 0.299 -0.142) 5.523 14.082 ( -5.529 4.529 0.309) 7.153 14.408 ( 2.379 -0.834 3.432) 4.258 14.458 ( 3.204 0.230 -2.066) 3.819 14.464 ( 3.802 -1.436 2.768) 4.917 14.622 ( 2.953 -2.552 -0.864) 3.998 15.212 ( 1.623 2.284 0.396) 2.830 15.230 ( 1.209 3.024 -0.412) 3.283 15.273 ( 1.026 3.851 -0.466) 4.012 15.328 ( -0.439 3.695 1.220) 3.915 16.048 ( 2.670 -0.799 -0.225) 2.796 16.117 ( 2.774 -3.230 -0.118) 4.259 16.350 ( 0.226 0.516 -0.285) 0.631 16.393 ( 0.291 1.062 -0.708) 1.309 16.448 ( -5.398 -1.908 0.095) 5.726 16.495 ( -7.314 -0.714 -1.038) 7.422 16.921 ( -1.162 -3.015 0.224) 3.239 16.938 ( -1.757 -3.174 0.709) 3.697 17.573 ( 2.647 -1.206 -0.572) 2.965 17.694 ( 8.726 5.844 -0.412) 10.510 17.770 ( -7.245 -3.952 -0.169) 8.254 17.945 ( 2.374 -6.808 4.299) 8.394 17.992 ( -0.866 0.727 -4.263) 4.410 18.156 ( -3.739 -1.560 1.299) 4.255 18.292 ( 5.265 4.330 3.039) 7.464 18.389 ( 5.556 2.207 -1.300) 6.118 19.499 ( -4.176 0.368 0.409) 4.212 19.636 ( -6.233 -5.180 -3.372) 8.778 19.768 ( -2.101 1.230 0.081) 2.436 19.807 ( -4.594 -0.370 -1.317) 4.793 20.908 ( -1.514 -2.425 0.319) 2.877 20.938 ( -2.424 -2.986 -1.350) 4.077 21.116 ( -0.966 0.868 0.669) 1.461 21.156 ( -0.355 0.939 -0.744) 1.249 22.971 ( 2.161 -10.849 11.893) 16.242 23.044 ( 5.928 -5.967 -6.638) 10.716 24.288 ( 0.803 -1.037 0.442) 1.384 24.327 ( 0.311 -1.493 -0.135) 1.531 25.279 ( -0.647 1.127 3.008) 3.276 25.383 ( 0.114 0.207 -4.354) 4.360 25.912 ( -0.191 -0.190 3.213) 3.225 26.041 ( -0.280 -1.223 -2.800) 3.069 27.230 ( 0.477 0.654 0.715) 1.080 27.332 ( -0.379 -2.968 1.603) 3.394 27.352 ( 1.473 -2.821 -0.328) 3.199 27.375 ( 1.505 -1.529 0.079) 2.147 27.400 ( 0.360 2.897 -3.078) 4.242 27.486 ( -0.001 0.998 0.426) 1.085 27.512 ( -2.026 0.797 0.504) 2.235 27.576 ( -1.534 2.492 -0.180) 2.932 27.708 ( 0.582 7.358 0.305) 7.388 27.737 ( -0.100 6.464 -0.069) 6.465 28.098 ( 3.656 15.642 2.920) 16.326 28.285 ( 6.734 15.196 -4.474) 17.213 29.033 ( -1.582 4.552 0.677) 4.866 29.068 ( -1.829 4.080 -1.079) 4.600 29.200 ( -4.355 5.181 -0.144) 6.770 29.343 ( -3.707 10.007 -11.419) 15.630 29.853 ( 12.051 -1.053 12.845) 17.644 30.034 ( -2.758 1.412 0.946) 3.240 30.086 ( 2.905 0.602 5.512) 6.260 30.358 ( 4.342 -3.297 1.403) 5.630 30.607 ( 12.015 8.704 4.830) 15.603 30.961 ( 10.467 -5.317 -0.229) 11.743 31.290 ( -5.348 -12.099 0.027) 13.228 31.731 ( -1.436 -1.227 -0.561) 1.970 33.043 ( 0.657 -4.877 1.146) 5.053 33.109 ( 2.794 -3.620 0.272) 4.581 33.277 ( -0.691 -2.650 -0.966) 2.904 33.370 ( -0.476 -4.334 -2.167) 4.869 33.574 ( -6.403 -3.366 1.852) 7.467 33.983 ( -11.486 -15.503 -4.199) 19.746 34.229 ( -3.593 -9.648 -0.019) 10.296 34.420 ( -4.597 -9.747 -3.191) 11.240 47.254 ( -0.281 1.431 0.076) 1.460 47.281 ( -0.231 1.749 -0.376) 1.804 47.453 ( -0.149 1.457 0.360) 1.508 47.461 ( -0.174 1.425 -0.354) 1.478 97.043 ( 0.804 7.489 1.333) 7.649 97.130 ( 0.041 3.805 -0.931) 3.918 97.147 ( 0.063 4.892 -0.341) 4.904 97.181 ( 5.181 9.922 -3.186) 11.638 98.812 ( 0.777 -1.238 1.332) 1.977 98.830 ( -0.306 -1.451 -2.275) 2.715 99.320 ( -16.039 -7.230 -5.297) 18.374 99.551 ( -13.146 -8.139 5.416) 16.383 ======================= Grid point 89 (37/60) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -2.313 24.168 5.902) 24.986 1.165 ( 7.331 24.891 -4.909) 26.408 1.314 ( -4.102 16.029 -4.841) 17.240 1.510 ( -3.060 16.902 -16.500) 23.818 1.951 ( -1.042 7.125 6.700) 9.836 2.002 ( 5.166 0.709 3.558) 6.312 2.269 ( -3.126 5.389 3.069) 6.945 2.295 ( 2.916 4.536 2.340) 5.878 2.323 ( -4.341 7.579 13.846) 16.371 2.370 ( 1.331 12.987 4.814) 13.914 2.452 ( 0.946 7.621 -0.625) 7.705 2.590 ( 0.637 6.767 -5.264) 8.597 2.667 ( -1.243 5.049 -3.221) 6.117 2.741 ( -1.498 4.387 -3.986) 6.114 2.872 ( 0.738 4.198 2.375) 4.879 2.936 ( -0.622 3.332 -2.671) 4.315 2.993 ( 5.827 0.826 1.406) 6.051 3.081 ( -1.995 3.540 -5.446) 6.795 3.238 ( -0.773 6.452 1.879) 6.765 3.281 ( 3.138 7.321 -2.300) 8.291 3.296 ( -7.886 5.235 5.616) 11.006 3.373 ( -1.223 8.683 -0.270) 8.773 3.478 ( 3.498 6.311 -2.046) 7.500 3.503 ( 0.323 9.425 -4.367) 10.393 3.752 ( 3.020 1.847 5.871) 6.856 3.812 ( 2.556 -2.206 -2.927) 4.469 3.886 ( -3.162 2.793 -0.284) 4.228 3.970 ( 1.668 0.543 -4.903) 5.207 4.015 ( -2.870 -1.040 -0.799) 3.155 4.030 ( 1.223 1.843 -2.954) 3.690 4.194 ( -3.505 3.495 2.053) 5.358 4.232 ( 4.404 -1.118 0.425) 4.563 4.282 ( 0.075 2.283 1.254) 2.606 4.320 ( -1.504 -4.033 -0.777) 4.374 4.399 ( -1.100 -2.693 -0.157) 2.914 4.442 ( 1.623 -2.278 2.565) 3.795 4.542 ( -1.754 2.031 1.651) 3.151 4.657 ( 2.523 0.473 -3.529) 4.364 4.727 ( -0.536 -1.907 5.423) 5.773 4.818 ( 2.469 1.001 4.048) 4.846 4.885 ( -2.787 -1.361 -1.779) 3.575 4.973 ( 0.008 0.442 -2.402) 2.442 5.021 ( 0.822 -2.779 1.872) 3.450 5.070 ( -1.804 1.544 2.099) 3.170 5.137 ( 2.887 -0.485 -2.956) 4.160 5.143 ( -0.258 -2.127 -8.243) 8.517 5.255 ( 3.181 0.603 1.920) 3.764 5.312 ( -4.087 -0.177 -2.746) 4.927 5.413 ( -3.301 -0.504 4.751) 5.807 5.497 ( -0.212 0.046 -1.090) 1.111 5.523 ( 4.405 -2.083 2.745) 5.593 5.554 ( -0.360 1.338 0.422) 1.448 5.702 ( -3.287 -1.331 4.470) 5.706 5.745 ( 1.141 -1.550 -1.445) 2.407 5.881 ( 0.820 0.562 0.319) 1.044 5.936 ( -1.139 -1.642 -4.778) 5.179 6.016 ( -2.681 -0.089 5.086) 5.750 6.141 ( 0.733 -4.632 -4.112) 6.237 6.330 ( -1.028 0.883 2.523) 2.864 6.373 ( 4.453 -1.284 -1.110) 4.766 6.498 ( -4.738 -0.777 2.002) 5.202 6.544 ( 5.867 1.461 -2.552) 6.562 6.670 ( -4.294 -2.679 1.820) 5.379 6.710 ( 0.534 -4.154 -2.070) 4.672 7.055 ( -0.217 -1.855 1.478) 2.382 7.094 ( 0.971 -2.099 -2.096) 3.121 7.382 ( 0.599 -2.116 0.225) 2.211 7.401 ( -0.408 -2.488 -1.270) 2.823 7.531 ( 0.791 -1.754 3.997) 4.436 7.594 ( -1.246 -2.380 -1.832) 3.251 7.666 ( -2.300 -3.238 2.497) 4.692 7.695 ( 0.267 -0.596 0.433) 0.784 7.814 ( 7.908 2.924 -0.861) 8.475 7.840 ( -5.184 0.835 -2.843) 5.971 8.169 ( -0.277 1.833 2.383) 3.019 8.213 ( -0.038 2.807 -1.722) 3.293 9.018 ( 0.846 -2.903 1.999) 3.625 9.066 ( -1.789 -1.086 -2.049) 2.929 9.209 ( -0.075 -1.276 1.653) 2.089 9.262 ( 2.188 -6.172 -2.687) 7.078 9.414 ( -0.160 3.159 6.416) 7.154 9.462 ( -1.042 2.670 4.404) 5.254 9.576 ( 2.416 11.471 -2.365) 11.959 9.693 ( -1.600 8.354 -10.558) 13.558 10.576 ( 0.972 3.463 5.296) 6.402 10.712 ( -0.475 2.627 -7.795) 8.239 11.015 ( -1.310 -4.150 5.297) 6.856 11.104 ( 0.257 -7.078 -3.430) 7.870 11.219 ( 0.553 -6.468 1.607) 6.687 11.238 ( -0.799 -5.348 -0.334) 5.418 11.344 ( 1.191 -1.044 2.620) 3.061 11.418 ( -1.645 -2.382 -4.130) 5.044 11.495 ( 0.118 -7.836 2.169) 8.132 11.546 ( 0.219 -6.440 -2.560) 6.933 11.706 ( 3.003 -1.177 4.487) 5.526 11.785 ( -2.662 -2.456 -3.039) 4.728 12.069 ( -1.147 -3.598 1.183) 3.958 12.107 ( 0.594 -5.204 -2.235) 5.694 12.379 ( 0.567 -6.210 1.503) 6.414 12.405 ( -0.133 -5.947 -0.993) 6.030 12.799 ( 0.463 1.773 0.387) 1.873 12.807 ( -0.678 1.691 -0.221) 1.835 13.164 ( 0.150 -2.423 1.764) 3.001 13.213 ( -0.087 -1.528 -2.866) 3.249 13.838 ( 0.232 2.525 0.939) 2.704 13.857 ( 0.375 2.132 -0.724) 2.283 14.078 ( -0.935 4.280 0.625) 4.426 14.085 ( 0.968 5.478 -0.083) 5.563 14.440 ( 0.546 -0.117 2.010) 2.086 14.463 ( -1.135 -1.182 1.836) 2.461 14.498 ( -0.629 -0.537 0.022) 0.827 14.543 ( 0.790 -2.796 -2.211) 3.651 15.297 ( -0.007 3.123 0.648) 3.189 15.310 ( 0.301 3.070 -0.537) 3.131 15.370 ( 1.580 2.024 0.306) 2.586 15.375 ( -1.754 2.376 -0.147) 2.957 16.110 ( -0.829 1.023 0.598) 1.446 16.128 ( 1.439 0.479 -1.087) 1.866 16.320 ( -0.837 -2.844 0.744) 3.056 16.334 ( 0.339 -2.643 -0.396) 2.694 16.380 ( 0.834 1.168 1.086) 1.800 16.415 ( -1.275 1.139 -2.154) 2.750 16.830 ( -0.145 -4.747 0.655) 4.795 16.837 ( 0.338 -4.383 -0.060) 4.396 17.600 ( 0.446 -1.550 0.368) 1.654 17.614 ( -0.419 -1.528 -0.734) 1.747 17.811 ( -1.477 -5.760 3.017) 6.668 17.874 ( 2.056 -6.219 -2.994) 7.201 18.038 ( -4.200 4.826 3.350) 7.222 18.124 ( 4.618 4.534 -5.262) 8.341 18.396 ( -0.928 0.349 5.125) 5.221 18.471 ( -0.047 -0.845 -2.378) 2.524 19.490 ( -1.827 2.033 0.508) 2.780 19.499 ( 1.509 1.746 -0.399) 2.342 19.759 ( 0.318 -0.395 0.359) 0.621 19.765 ( -0.172 0.002 -0.156) 0.233 20.839 ( 0.215 -3.012 0.455) 3.054 20.848 ( -0.344 -2.705 -0.404) 2.756 21.133 ( 0.621 0.348 1.074) 1.289 21.156 ( -0.393 -0.068 -1.076) 1.148 22.805 ( -1.474 -4.926 7.241) 8.881 22.944 ( 1.462 -8.140 -5.528) 9.948 24.274 ( -0.584 -2.179 0.411) 2.293 24.279 ( 0.462 -1.581 -0.051) 1.648 25.309 ( -0.203 1.816 3.070) 3.573 25.387 ( 0.037 0.908 -4.035) 4.136 25.923 ( 0.710 -0.382 3.533) 3.624 25.998 ( -0.698 -1.281 -3.220) 3.535 27.245 ( 0.876 -1.287 1.027) 1.866 27.261 ( -0.776 -2.028 -0.407) 2.210 27.327 ( 0.552 -1.886 0.490) 2.025 27.344 ( -0.115 -1.912 -0.791) 2.072 27.438 ( -1.482 1.024 0.814) 1.977 27.473 ( 0.574 0.573 -1.695) 1.879 27.551 ( 0.767 0.753 2.024) 2.291 27.587 ( -0.230 1.604 -1.359) 2.114 27.931 ( 0.365 11.605 0.007) 11.611 27.933 ( -0.346 12.178 -0.091) 12.184 28.449 ( 0.491 11.124 4.537) 12.024 28.555 ( -0.235 7.150 -5.113) 8.793 29.166 ( 0.617 8.572 0.868) 8.638 29.178 ( -0.712 7.947 -0.230) 7.982 29.296 ( 0.525 8.020 3.822) 8.900 29.442 ( -2.606 7.845 -11.347) 14.038 29.955 ( 0.760 -2.393 4.520) 5.171 30.003 ( 2.692 -0.736 -1.348) 3.100 30.123 ( 1.282 -3.352 7.349) 8.178 30.261 ( -2.073 -6.381 -5.538) 8.700 30.896 ( -0.689 -2.855 8.223) 8.732 31.044 ( -0.296 -0.022 -3.962) 3.973 31.260 ( 8.840 -5.231 0.408) 10.279 31.326 ( -7.172 -5.981 -3.683) 10.038 32.954 ( 1.871 -6.953 1.211) 7.301 32.982 ( -0.998 -6.184 -1.187) 6.375 33.171 ( -1.931 -12.409 10.237) 16.203 33.338 ( -8.374 -5.987 -3.821) 10.980 33.436 ( 14.241 -4.614 -0.771) 14.990 33.484 ( -6.351 3.624 -3.989) 8.330 34.109 ( 1.876 -6.942 5.219) 8.885 34.212 ( -1.705 -7.764 -4.389) 9.080 47.300 ( 0.105 2.339 0.531) 2.401 47.311 ( -0.105 2.012 -0.516) 2.079 47.493 ( -0.006 2.391 0.143) 2.395 47.498 ( 0.034 2.278 -0.273) 2.294 97.214 ( -0.060 6.439 0.332) 6.448 97.219 ( 0.089 5.253 -0.145) 5.256 97.284 ( 0.370 7.607 3.984) 8.595 97.399 ( -0.929 6.144 -6.682) 9.124 98.782 ( -0.592 -2.021 0.982) 2.324 98.806 ( 0.663 -2.057 -1.203) 2.474 99.133 ( 3.705 -5.449 3.654) 7.535 99.199 ( -2.382 -6.595 -2.525) 7.453 ======================= Grid point 90 (38/60) ======================= q-point: ( 0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 7.194 17.362 6.430) 19.863 1.235 ( 0.197 16.999 -6.465) 18.188 1.276 ( 4.714 24.140 -4.775) 25.055 1.545 ( 6.679 12.437 -3.780) 14.614 1.969 ( 2.753 6.315 -0.801) 6.935 2.127 ( 3.797 1.223 -1.920) 4.427 2.191 ( -7.995 3.939 4.387) 9.934 2.265 ( -0.274 4.035 7.247) 8.299 2.346 ( 0.325 9.059 2.861) 9.505 2.442 ( 2.651 11.562 8.825) 14.785 2.536 ( 5.525 2.738 0.007) 6.167 2.553 ( -4.520 1.189 -4.064) 6.193 2.636 ( 4.143 5.799 -7.191) 10.125 2.713 ( 3.136 9.611 -2.298) 10.368 2.914 ( -0.153 5.902 0.513) 5.927 2.970 ( 3.826 2.246 0.425) 4.456 3.061 ( -3.876 1.411 6.440) 7.648 3.161 ( 6.485 4.393 1.095) 7.909 3.212 ( 0.627 1.811 -2.690) 3.303 3.287 ( 5.275 11.833 -4.778) 13.808 3.293 ( 4.371 6.710 -0.267) 8.013 3.411 ( 9.441 7.902 0.670) 12.330 3.506 ( 1.353 9.871 -1.668) 10.102 3.589 ( 3.997 -0.961 0.398) 4.130 3.813 ( -2.378 -1.289 -1.402) 3.047 3.831 ( 2.535 2.530 6.289) 7.237 3.854 ( 1.355 -1.113 -4.476) 4.807 3.935 ( -0.987 6.076 -1.762) 6.403 4.014 ( 1.582 -0.626 -3.099) 3.535 4.044 ( -0.530 -0.489 -0.835) 1.104 4.110 ( -4.688 0.610 1.563) 4.980 4.262 ( -3.031 -4.997 1.261) 5.979 4.295 ( 0.674 6.680 1.128) 6.808 4.351 ( 2.986 -1.461 -1.342) 3.585 4.403 ( 4.140 -1.853 -2.884) 5.376 4.476 ( 1.086 -1.668 3.924) 4.400 4.496 ( -0.815 0.368 1.931) 2.128 4.631 ( -3.964 -1.649 -4.252) 6.043 4.734 ( -2.464 -0.699 2.434) 3.533 4.839 ( 0.113 1.714 0.118) 1.722 4.857 ( -0.525 1.343 3.349) 3.647 4.959 ( 1.233 -1.882 0.465) 2.297 5.009 ( -3.412 -2.069 -5.967) 7.178 5.052 ( -0.137 -0.089 0.960) 0.974 5.100 ( -3.255 1.277 -1.315) 3.735 5.162 ( -3.567 1.470 -1.306) 4.073 5.286 ( 3.421 -2.357 -1.332) 4.363 5.353 ( 1.102 1.911 3.573) 4.199 5.369 ( 2.148 0.716 1.859) 2.929 5.450 ( -2.660 2.043 1.418) 3.641 5.501 ( -0.600 -2.044 -4.011) 4.542 5.612 ( 2.185 -1.266 0.533) 2.581 5.688 ( 1.802 -2.679 3.796) 4.984 5.791 ( 2.238 -1.198 2.043) 3.258 5.886 ( -1.535 -1.349 0.410) 2.084 5.889 ( -0.990 1.229 -1.196) 1.980 5.999 ( -0.087 1.839 0.900) 2.049 6.107 ( -3.400 -3.693 -1.451) 5.225 6.229 ( -7.844 -0.650 -1.118) 7.950 6.361 ( -6.980 0.973 0.996) 7.118 6.424 ( -1.457 -1.870 -2.365) 3.349 6.532 ( -7.917 -0.105 1.018) 7.982 6.638 ( 1.229 -0.483 1.164) 1.760 6.728 ( -0.043 -3.072 0.418) 3.101 7.026 ( 0.085 -1.216 1.492) 1.927 7.146 ( 1.524 -2.858 -3.326) 4.642 7.326 ( -5.891 -1.435 1.200) 6.181 7.409 ( 2.341 -3.018 -0.790) 3.900 7.530 ( -0.167 -2.708 -2.725) 3.846 7.545 ( -3.324 -0.961 4.492) 5.670 7.640 ( -1.812 4.271 -0.826) 4.713 7.692 ( -0.242 -4.368 2.773) 5.180 7.788 ( 0.618 -4.628 -2.016) 5.086 7.955 ( 4.840 3.299 -1.463) 6.037 8.117 ( -2.434 1.492 0.902) 2.994 8.241 ( 1.211 4.211 -0.461) 4.406 9.030 ( -0.153 -0.945 -0.469) 1.066 9.049 ( 0.642 -1.474 1.538) 2.225 9.181 ( -1.792 0.696 -0.553) 2.000 9.320 ( 2.997 -8.636 -3.083) 9.648 9.403 ( -1.757 6.051 5.277) 8.219 9.469 ( 0.445 1.803 5.153) 5.478 9.575 ( -2.722 10.694 -7.426) 13.301 9.646 ( -0.594 6.192 -3.053) 6.929 10.589 ( -0.808 3.399 5.850) 6.814 10.678 ( -0.995 3.799 -8.194) 9.086 11.013 ( 1.307 -4.929 4.124) 6.559 11.168 ( 5.105 -5.360 -0.338) 7.410 11.236 ( 1.916 -5.886 0.761) 6.236 11.278 ( 3.010 -5.609 -0.685) 6.403 11.351 ( -1.707 -4.086 -0.083) 4.429 11.378 ( -0.842 -3.243 -0.657) 3.415 11.476 ( -1.977 -5.684 0.350) 6.029 11.522 ( -2.074 -6.182 -1.322) 6.654 11.763 ( 1.122 -2.512 -3.736) 4.640 11.793 ( 4.155 -2.804 4.417) 6.681 12.048 ( -0.776 -4.450 1.733) 4.838 12.129 ( 1.606 -5.459 -1.502) 5.886 12.384 ( -0.254 -6.288 0.876) 6.354 12.395 ( -0.674 -5.678 -1.220) 5.846 12.801 ( 1.524 1.465 0.320) 2.138 12.852 ( 3.346 1.916 0.145) 3.858 13.144 ( -2.360 -1.464 0.658) 2.854 13.195 ( -1.348 -1.838 -1.505) 2.731 13.804 ( -1.172 3.319 -0.416) 3.544 13.904 ( 0.328 2.376 -0.533) 2.457 14.018 ( -0.137 4.393 0.173) 4.398 14.175 ( 4.283 3.475 0.002) 5.515 14.404 ( -4.643 -0.705 3.387) 5.790 14.433 ( -1.345 -0.549 1.094) 1.819 14.461 ( -1.865 0.020 -2.056) 2.776 14.561 ( 0.141 -1.713 -0.598) 1.820 15.278 ( -1.407 2.966 0.375) 3.304 15.313 ( -0.802 3.489 -1.503) 3.883 15.336 ( -1.250 2.735 0.299) 3.022 15.388 ( -0.008 2.166 0.868) 2.334 16.038 ( -4.043 0.236 0.077) 4.051 16.093 ( -4.117 -0.596 -0.426) 4.181 16.370 ( -0.033 0.279 -0.452) 0.532 16.394 ( 3.894 -0.800 -1.190) 4.150 16.410 ( 3.373 -0.653 0.394) 3.458 16.436 ( 5.854 -1.764 1.288) 6.248 16.836 ( 0.710 -4.782 0.262) 4.841 16.860 ( 1.734 -4.941 -0.099) 5.238 17.550 ( -1.875 -1.153 -0.249) 2.215 17.711 ( 6.638 -2.055 -0.073) 6.949 17.770 ( -2.449 -2.354 0.875) 3.508 17.847 ( -10.512 4.455 1.760) 11.552 17.946 ( 4.645 -6.570 -2.306) 8.370 18.225 ( 3.196 2.787 -3.069) 5.234 18.329 ( -6.872 0.714 4.679) 8.344 18.396 ( -5.571 0.461 -1.112) 5.699 19.506 ( 2.284 0.572 0.551) 2.418 19.568 ( 4.418 -0.163 -0.656) 4.469 19.787 ( 2.584 -0.055 -0.388) 2.613 19.802 ( 3.370 -0.350 0.421) 3.414 20.854 ( 1.133 -2.657 0.008) 2.888 20.862 ( 1.570 -3.355 0.246) 3.712 21.144 ( 0.121 0.276 -0.389) 0.492 21.157 ( 0.758 -0.358 -0.026) 0.838 22.787 ( -1.504 -3.299 6.154) 7.142 22.943 ( -0.531 -8.056 -4.990) 9.491 24.258 ( -0.725 -1.641 0.152) 1.801 24.286 ( -0.116 -1.933 0.197) 1.947 25.313 ( -0.064 1.610 3.276) 3.650 25.381 ( 0.139 1.110 -3.768) 3.931 25.942 ( 0.471 -0.928 3.708) 3.852 25.978 ( -0.556 -0.999 -3.382) 3.570 27.243 ( -0.716 -0.995 -0.402) 1.290 27.269 ( 0.886 -2.725 0.631) 2.934 27.301 ( -1.738 -2.317 -0.612) 2.960 27.355 ( 0.246 -0.462 0.082) 0.530 27.405 ( -1.170 1.716 0.894) 2.261 27.512 ( 2.601 -0.024 -0.257) 2.614 27.553 ( -0.426 1.529 -0.201) 1.600 27.598 ( 1.083 0.217 -0.256) 1.133 27.925 ( -0.111 11.988 -0.052) 11.988 27.946 ( 0.670 12.211 -0.073) 12.229 28.433 ( -2.800 11.349 3.156) 12.108 28.492 ( -4.412 9.465 -3.705) 11.080 29.165 ( 0.441 7.937 0.130) 7.951 29.202 ( 2.248 8.111 0.179) 8.419 29.331 ( 1.365 7.574 1.268) 7.799 29.425 ( 2.813 7.769 -2.944) 8.771 29.922 ( -2.598 -0.485 -0.796) 2.761 30.070 ( 2.844 -1.142 -1.033) 3.235 30.148 ( -2.778 -2.067 0.413) 3.487 30.218 ( 0.783 -9.406 0.955) 9.487 30.778 ( -12.271 4.243 1.306) 13.049 30.827 ( -17.219 0.846 4.058) 17.711 31.150 ( 6.381 -4.392 -2.628) 8.180 31.600 ( 6.769 -8.071 -1.241) 10.606 32.970 ( 0.478 -7.266 -0.751) 7.320 32.999 ( 0.117 -6.674 -1.461) 6.833 33.085 ( -3.778 -7.813 6.333) 10.743 33.273 ( -0.518 -7.490 -0.139) 7.510 33.493 ( 7.133 -0.263 -3.067) 7.769 33.715 ( 13.368 -9.184 0.774) 16.237 34.104 ( -3.744 -6.643 -0.868) 7.675 34.189 ( 0.496 -8.920 0.715) 8.962 47.297 ( -0.118 2.310 0.092) 2.315 47.317 ( 0.300 1.951 -0.061) 1.975 47.494 ( 0.061 2.370 0.158) 2.376 47.500 ( 0.188 2.235 -0.294) 2.262 97.207 ( -0.604 6.721 0.263) 6.753 97.222 ( 0.263 5.164 -0.115) 5.172 97.280 ( -1.547 7.478 3.378) 8.350 97.334 ( -3.310 8.053 -4.177) 9.657 98.766 ( -0.616 -1.553 0.884) 1.890 98.805 ( -0.342 -1.928 -1.068) 2.231 99.193 ( 5.600 -6.712 -1.453) 8.861 99.359 ( 11.574 -13.394 0.212) 17.703 ======================= Grid point 91 (39/60) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 10.353 9.056 6.777) 15.334 1.297 ( 8.855 15.729 -3.475) 18.382 1.427 ( 10.625 16.596 -3.529) 20.020 1.659 ( 3.403 7.835 1.531) 8.679 1.887 ( -14.261 3.987 1.141) 14.852 2.059 ( 2.072 7.377 -4.932) 9.113 2.112 ( -4.102 9.494 -2.995) 10.767 2.315 ( -1.340 0.776 3.035) 3.407 2.344 ( -1.154 11.403 1.861) 11.612 2.463 ( -2.844 7.450 -7.020) 10.624 2.543 ( 6.108 4.600 4.872) 9.067 2.591 ( 0.427 -1.271 6.703) 6.835 2.713 ( 5.612 1.215 -2.524) 6.273 2.820 ( -0.762 8.277 0.731) 8.344 2.883 ( -3.234 5.163 -3.248) 6.904 2.957 ( 9.263 5.484 0.837) 10.797 3.046 ( -6.846 2.670 1.971) 7.608 3.208 ( 2.296 3.307 0.407) 4.047 3.309 ( 8.379 -1.328 2.606) 8.875 3.358 ( 2.231 1.153 0.608) 2.584 3.494 ( 8.232 4.794 -0.994) 9.578 3.572 ( 7.561 6.748 -5.428) 11.496 3.652 ( 6.532 1.382 1.739) 6.899 3.667 ( 6.828 1.449 -2.105) 7.291 3.758 ( 3.726 1.044 2.646) 4.688 3.837 ( -0.046 0.066 0.723) 0.727 3.936 ( 3.512 1.907 -4.087) 5.716 3.957 ( -0.365 4.144 -0.079) 4.160 3.967 ( -4.182 -0.714 1.803) 4.610 4.061 ( 2.725 -2.282 -1.554) 3.880 4.066 ( 1.464 -2.501 0.585) 2.956 4.166 ( -5.667 -0.778 1.221) 5.849 4.311 ( 2.773 6.453 4.238) 8.203 4.383 ( -3.188 -0.447 -2.682) 4.190 4.467 ( 1.249 1.109 -0.558) 1.761 4.475 ( -3.004 -0.339 -0.438) 3.055 4.533 ( 0.209 0.571 0.713) 0.937 4.579 ( 1.057 3.489 -2.550) 4.449 4.629 ( -2.646 -4.445 -1.506) 5.387 4.782 ( -3.938 6.355 0.673) 7.507 4.896 ( 0.011 1.859 -1.173) 2.198 4.907 ( -3.451 -0.758 1.950) 4.035 4.965 ( -3.081 -1.104 -1.221) 3.494 5.019 ( -1.993 -0.214 2.633) 3.309 5.079 ( -2.263 1.276 1.774) 3.146 5.135 ( 6.010 1.668 -0.255) 6.242 5.254 ( -7.578 1.717 -1.455) 7.906 5.322 ( -1.155 3.449 0.009) 3.637 5.413 ( 3.888 -3.945 0.457) 5.558 5.495 ( 1.684 -0.526 -1.066) 2.061 5.563 ( 6.435 -0.481 -2.758) 7.017 5.656 ( 2.779 -1.889 0.249) 3.370 5.743 ( -0.076 -1.313 2.236) 2.594 5.792 ( -0.528 -0.635 -0.590) 1.015 5.869 ( 0.327 -1.294 1.855) 2.285 5.880 ( -0.694 0.150 -0.580) 0.917 5.992 ( 0.027 1.269 -1.752) 2.164 6.034 ( -5.043 -2.904 1.542) 6.020 6.111 ( -0.638 -0.820 -0.050) 1.040 6.256 ( -3.717 1.048 0.097) 3.863 6.309 ( -7.818 -2.631 2.449) 8.604 6.405 ( -6.678 0.599 -0.670) 6.738 6.599 ( -3.410 1.825 0.225) 3.874 6.688 ( -4.384 1.861 -0.075) 4.764 7.031 ( -1.436 -0.394 2.808) 3.178 7.128 ( -2.438 -1.489 -4.898) 5.670 7.262 ( 1.178 -2.444 3.022) 4.061 7.454 ( 1.232 -3.825 -1.687) 4.358 7.500 ( 0.415 -1.420 0.265) 1.503 7.553 ( 0.789 -2.095 0.389) 2.272 7.622 ( 0.476 1.815 -2.187) 2.881 7.668 ( -2.683 -2.381 2.288) 4.255 7.811 ( 1.155 -4.248 2.449) 5.038 7.961 ( -1.997 -2.072 -2.541) 3.839 8.134 ( 2.777 5.075 0.258) 5.791 8.241 ( -0.908 5.639 -1.186) 5.834 9.045 ( 1.725 0.171 -0.619) 1.841 9.060 ( -0.045 -0.096 2.369) 2.371 9.156 ( -0.639 1.531 0.423) 1.712 9.329 ( -2.078 -2.953 -5.172) 6.308 9.386 ( -0.416 2.407 4.431) 5.060 9.484 ( -0.078 2.534 0.636) 2.614 9.515 ( -0.104 6.917 -3.425) 7.719 9.629 ( -1.426 4.351 0.432) 4.599 10.573 ( -1.674 4.315 5.476) 7.170 10.662 ( 0.885 4.929 -7.780) 9.253 11.063 ( 2.050 -3.253 5.819) 6.975 11.235 ( 0.224 -4.479 -0.680) 4.535 11.284 ( 2.658 -9.024 1.025) 9.463 11.316 ( -0.214 -3.105 -1.935) 3.665 11.332 ( 2.535 -5.134 -0.145) 5.727 11.372 ( -0.072 -8.357 0.265) 8.362 11.429 ( -2.351 -1.342 -3.142) 4.147 11.484 ( -1.509 -6.563 0.317) 6.741 11.801 ( 3.135 -3.996 -2.642) 5.725 11.850 ( 0.407 -3.750 3.777) 5.338 12.052 ( 0.628 -5.761 2.967) 6.510 12.154 ( 1.183 -6.801 -2.494) 7.340 12.373 ( -1.080 -6.236 0.861) 6.387 12.382 ( -0.124 -4.876 -1.165) 5.015 12.857 ( 3.807 1.203 0.471) 4.021 12.917 ( 2.813 1.672 0.215) 3.279 13.091 ( -2.566 -0.162 0.191) 2.579 13.150 ( -3.049 -1.022 -0.709) 3.293 13.797 ( 0.470 3.930 -0.754) 4.029 13.861 ( -2.968 4.296 -0.481) 5.244 14.070 ( 3.617 1.536 -0.013) 3.930 14.219 ( -0.326 1.189 -2.113) 2.446 14.337 ( -2.007 0.215 4.881) 5.282 14.409 ( -1.101 0.205 0.410) 1.193 14.440 ( 0.498 1.198 -1.321) 1.852 14.537 ( -2.310 -0.119 -0.660) 2.405 15.253 ( -1.061 3.146 0.090) 3.322 15.283 ( -1.153 3.039 -1.896) 3.763 15.335 ( 0.426 3.161 0.918) 3.319 15.379 ( -0.901 2.489 0.716) 2.742 15.979 ( -2.061 -0.502 0.411) 2.160 16.021 ( -2.934 -1.486 -0.658) 3.354 16.361 ( -0.026 1.109 0.115) 1.116 16.406 ( -0.259 1.473 -0.106) 1.499 16.525 ( 4.685 -2.261 -0.201) 5.206 16.537 ( 4.041 -3.461 0.585) 5.352 16.855 ( 1.079 -5.358 0.649) 5.504 16.891 ( 1.293 -5.390 -0.717) 5.589 17.532 ( 0.020 -0.468 -0.082) 0.475 17.648 ( -6.962 4.704 0.043) 8.402 17.791 ( 1.552 -2.105 1.737) 3.140 17.843 ( 5.755 -1.745 -0.202) 6.017 18.023 ( 3.720 -4.620 -2.927) 6.615 18.178 ( -7.015 1.567 1.878) 7.429 18.240 ( -1.405 -0.215 -0.339) 1.461 18.303 ( -3.835 -0.415 0.111) 3.859 19.546 ( 1.387 -1.176 2.448) 3.049 19.630 ( 2.089 -1.500 -2.538) 3.613 19.844 ( 2.786 -0.049 -0.107) 2.789 19.863 ( 2.312 -0.311 0.105) 2.336 20.880 ( 1.398 -2.699 0.080) 3.041 20.891 ( 1.060 -3.690 0.315) 3.852 21.148 ( 0.464 0.097 -0.498) 0.688 21.168 ( 0.161 -0.372 -0.044) 0.407 22.776 ( -0.645 -2.416 5.090) 5.671 22.913 ( -1.268 -6.115 -4.628) 7.773 24.252 ( 0.039 -1.540 0.046) 1.541 24.276 ( -0.836 -1.708 0.188) 1.911 25.318 ( -0.115 1.363 3.241) 3.518 25.380 ( 0.462 1.039 -3.336) 3.524 25.949 ( -0.420 -1.439 2.795) 3.172 25.969 ( 0.257 -1.105 -2.617) 2.852 27.233 ( -0.243 -0.495 0.294) 0.625 27.272 ( -0.500 -3.359 -0.561) 3.442 27.281 ( -0.123 -1.834 -0.372) 1.876 27.343 ( -1.293 0.104 -0.981) 1.626 27.410 ( 1.315 2.182 2.740) 3.741 27.534 ( -0.712 1.849 -1.540) 2.510 27.563 ( 1.880 -0.235 0.473) 1.953 27.612 ( 0.280 -0.905 -0.101) 0.952 27.927 ( 0.286 12.400 0.221) 12.406 27.952 ( 0.023 12.945 -0.452) 12.953 28.376 ( -2.328 12.819 0.100) 13.029 28.411 ( -3.411 10.635 -0.411) 11.176 29.191 ( 1.756 7.553 0.815) 7.797 29.247 ( 2.109 8.031 -1.276) 8.401 29.358 ( 1.699 6.135 1.640) 6.574 29.494 ( 3.086 6.940 -0.343) 7.603 29.868 ( -1.744 0.351 -3.780) 4.178 30.028 ( -6.880 -0.893 -1.380) 7.073 30.126 ( 1.755 -0.643 1.535) 2.418 30.247 ( 0.408 -6.830 0.109) 6.843 30.526 ( -7.450 5.553 5.945) 11.031 30.676 ( -4.931 1.309 -0.700) 5.150 31.280 ( 7.596 -3.860 -1.326) 8.623 31.588 ( -5.630 -4.778 -1.289) 7.496 32.949 ( -2.389 -5.393 1.705) 6.140 32.967 ( -0.637 -6.966 0.009) 6.995 33.125 ( 3.533 -9.493 1.206) 10.201 33.253 ( -1.209 -7.355 -1.798) 7.667 33.661 ( 8.542 -5.423 -0.672) 10.141 33.928 ( 7.640 -7.801 0.682) 10.941 34.004 ( -4.477 -10.228 -2.030) 11.348 34.195 ( -0.800 -11.160 1.543) 11.294 47.300 ( 0.394 2.205 0.019) 2.240 47.317 ( -0.260 1.983 0.053) 2.001 47.496 ( 0.053 2.335 0.242) 2.348 47.503 ( 0.161 2.184 -0.366) 2.220 97.198 ( -0.233 7.315 0.307) 7.325 97.226 ( -0.092 5.201 -0.301) 5.210 97.250 ( -1.532 7.552 1.740) 7.900 97.283 ( -1.430 7.928 -1.763) 8.246 98.767 ( 0.261 -1.773 1.281) 2.203 98.799 ( -0.006 -1.876 -1.211) 2.233 99.330 ( 7.527 -9.625 0.465) 12.227 99.514 ( 4.090 -16.632 -1.736) 17.215 ======================= Grid point 92 (40/60) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -4.299 14.795 9.668) 18.189 1.407 ( -10.026 8.378 9.874) 16.376 1.604 ( 13.585 7.908 -11.375) 19.403 1.655 ( 3.115 4.963 -11.740) 13.121 1.806 ( 6.840 8.589 5.204) 12.151 1.999 ( -4.587 3.032 -10.509) 11.860 2.145 ( 3.173 9.987 5.524) 11.845 2.217 ( -5.157 8.647 0.582) 10.085 2.298 ( -3.220 13.644 3.465) 14.440 2.398 ( -2.387 8.306 -7.571) 11.489 2.589 ( 2.549 1.843 10.279) 10.750 2.676 ( -0.535 2.518 1.859) 3.175 2.730 ( -1.554 0.201 -2.091) 2.613 2.838 ( -1.001 4.422 -5.103) 6.826 2.884 ( 3.601 5.765 4.660) 8.241 2.932 ( 0.271 0.113 -1.231) 1.265 3.120 ( 0.550 3.528 2.847) 4.567 3.182 ( 0.735 3.059 -3.489) 4.698 3.353 ( -2.872 -1.858 4.184) 5.405 3.462 ( 1.911 1.380 -2.520) 3.451 3.583 ( 3.178 -0.761 0.020) 3.268 3.611 ( -1.417 3.206 -2.174) 4.124 3.687 ( -0.157 -1.598 5.713) 5.934 3.775 ( 1.159 -2.152 1.689) 2.971 3.832 ( -3.587 -4.271 -4.038) 6.886 3.851 ( -5.929 -0.375 1.015) 6.027 3.906 ( -0.859 -0.214 -0.226) 0.913 3.946 ( -0.056 2.256 -0.249) 2.270 3.956 ( 4.609 0.262 -1.895) 4.990 4.059 ( 0.990 -1.762 -4.553) 4.981 4.112 ( 0.854 2.612 3.845) 4.726 4.196 ( 1.518 -0.006 -4.051) 4.326 4.283 ( 2.806 1.633 1.232) 3.473 4.325 ( -8.357 2.920 -1.339) 8.953 4.440 ( 2.330 4.437 3.581) 6.159 4.474 ( 2.274 4.064 3.697) 5.946 4.502 ( 1.665 4.876 0.867) 5.225 4.581 ( -0.926 5.400 -4.645) 7.183 4.672 ( -0.361 1.045 0.580) 1.249 4.729 ( -0.928 2.518 -3.716) 4.584 4.835 ( -0.663 0.044 1.728) 1.851 4.876 ( -4.772 1.025 0.889) 4.961 4.927 ( 1.927 1.931 3.256) 4.248 5.034 ( 3.379 -1.899 3.483) 5.211 5.060 ( -0.611 1.156 0.532) 1.412 5.148 ( -1.362 0.919 -4.604) 4.889 5.273 ( -1.669 4.802 1.009) 5.183 5.282 ( 5.599 0.573 -2.419) 6.126 5.465 ( -1.113 -3.088 -0.274) 3.294 5.497 ( 0.199 -1.748 -2.415) 2.988 5.636 ( -5.512 -0.714 1.581) 5.778 5.670 ( 4.459 -2.304 -0.759) 5.076 5.736 ( 3.764 -0.757 -1.517) 4.128 5.765 ( -3.206 0.293 -3.506) 4.760 5.862 ( -0.694 -1.860 2.045) 2.850 5.897 ( 1.955 -0.431 -1.267) 2.369 5.973 ( -3.193 -1.503 3.110) 4.704 6.028 ( 3.337 1.002 -1.706) 3.880 6.157 ( 4.404 -2.156 2.865) 5.679 6.203 ( -3.668 -0.318 5.667) 6.758 6.220 ( -4.263 -2.313 -1.063) 4.965 6.303 ( 2.824 -1.416 -2.272) 3.891 6.579 ( 1.739 5.468 0.651) 5.775 6.602 ( -2.669 5.780 -0.628) 6.397 7.014 ( 0.170 -0.333 2.547) 2.574 7.081 ( -0.216 -0.379 -3.800) 3.825 7.335 ( 2.875 -3.442 4.663) 6.470 7.422 ( -3.172 -3.161 -3.460) 5.659 7.516 ( -0.838 -2.504 1.088) 2.856 7.573 ( 2.999 -2.214 -3.905) 5.399 7.616 ( -2.568 -0.627 2.291) 3.498 7.650 ( 1.687 -0.266 -1.025) 1.992 7.819 ( -1.580 -3.167 6.380) 7.296 7.937 ( 0.886 -4.260 -4.694) 6.401 8.168 ( -0.704 5.152 1.854) 5.520 8.222 ( 0.541 7.034 -3.028) 7.677 9.051 ( -0.823 1.241 1.625) 2.204 9.083 ( 1.461 0.336 -0.937) 1.768 9.164 ( 1.187 1.320 3.524) 3.946 9.260 ( -2.979 0.918 -5.289) 6.140 9.386 ( -0.476 -0.141 3.017) 3.057 9.484 ( 1.096 4.689 -5.547) 7.345 9.538 ( -0.051 1.052 4.866) 4.979 9.608 ( 0.658 5.317 -1.582) 5.586 10.548 ( -1.812 5.238 4.947) 7.429 10.680 ( 2.351 5.067 -7.869) 9.650 11.086 ( -1.488 -0.746 9.089) 9.240 11.222 ( 0.307 -7.489 -3.302) 8.190 11.315 ( -0.562 -10.008 0.896) 10.064 11.328 ( 1.302 -3.634 0.345) 3.876 11.339 ( -0.509 -6.094 -0.744) 6.161 11.372 ( 0.080 -2.611 -2.245) 3.444 11.431 ( 3.091 -4.615 -0.824) 5.615 11.451 ( -2.312 -6.023 -1.880) 6.720 11.824 ( -3.215 -3.569 2.614) 5.469 11.860 ( 2.824 -4.956 -0.868) 5.770 12.073 ( 0.665 -6.625 3.817) 7.674 12.156 ( -0.521 -7.258 -3.721) 8.173 12.359 ( -0.409 -5.479 1.121) 5.607 12.383 ( 0.381 -5.359 -0.999) 5.465 12.923 ( -2.250 1.283 0.584) 2.655 12.928 ( 2.312 1.042 0.280) 2.551 13.077 ( -0.306 0.620 0.722) 1.000 13.100 ( 0.423 -0.122 -1.354) 1.424 13.800 ( -1.186 4.068 0.805) 4.314 13.830 ( 1.118 4.475 -2.018) 5.035 14.126 ( 1.224 0.620 1.563) 2.080 14.170 ( -2.384 0.394 -2.919) 3.789 14.350 ( 1.573 0.691 4.340) 4.668 14.396 ( -0.101 0.489 -0.437) 0.663 14.466 ( 0.111 1.177 0.229) 1.205 14.490 ( -0.492 1.220 -1.781) 2.214 15.242 ( -0.220 3.263 0.461) 3.303 15.267 ( 0.055 3.043 -2.047) 3.668 15.351 ( 0.671 2.630 1.217) 2.975 15.362 ( -0.607 2.872 0.195) 2.942 15.963 ( 0.243 -1.045 0.962) 1.441 15.986 ( -0.400 -1.461 -1.081) 1.861 16.372 ( 0.863 1.161 1.001) 1.759 16.393 ( -0.719 1.552 -0.997) 1.980 16.558 ( -0.925 -2.708 1.665) 3.311 16.594 ( 1.245 -3.125 -1.619) 3.733 16.871 ( 0.151 -5.667 1.285) 5.813 16.898 ( -0.407 -5.419 -1.195) 5.565 17.555 ( 1.114 1.277 0.123) 1.700 17.558 ( -1.061 1.659 -0.138) 1.974 17.842 ( 1.746 -0.434 1.897) 2.614 17.867 ( -2.078 -0.244 -0.190) 2.101 18.071 ( -5.163 -1.345 -0.189) 5.339 18.108 ( 6.155 -1.528 -2.840) 6.949 18.219 ( -1.395 -1.773 2.687) 3.508 18.261 ( 0.655 -1.773 -1.234) 2.257 19.566 ( -0.019 -1.241 3.481) 3.696 19.643 ( 0.165 -2.231 -3.593) 4.232 19.871 ( -0.385 0.205 0.745) 0.863 19.886 ( 0.310 -0.417 -0.663) 0.842 20.898 ( -0.254 -2.858 0.258) 2.881 20.900 ( 0.306 -3.654 0.092) 3.668 21.159 ( 0.570 -0.048 -0.079) 0.577 21.162 ( -0.599 -0.235 -0.356) 0.736 22.781 ( 0.099 -2.727 5.008) 5.703 22.888 ( -0.286 -4.555 -4.702) 6.553 24.259 ( 0.242 -1.759 0.149) 1.782 24.261 ( -0.188 -1.322 -0.002) 1.336 25.318 ( -0.446 1.335 2.999) 3.313 25.385 ( 0.688 0.822 -3.151) 3.328 25.935 ( -1.405 -1.274 2.102) 2.831 25.979 ( 1.200 -1.491 -1.904) 2.699 27.236 ( 0.499 -1.144 0.900) 1.539 27.259 ( -0.454 -2.141 -1.196) 2.494 27.291 ( 0.545 -1.441 0.679) 1.683 27.311 ( -1.217 -0.229 -1.360) 1.839 27.450 ( 1.820 1.930 3.209) 4.164 27.509 ( -1.269 2.050 -2.645) 3.579 27.589 ( 0.035 -0.281 1.307) 1.337 27.610 ( -0.031 -1.259 -0.761) 1.471 27.931 ( -0.198 12.747 0.758) 12.771 27.951 ( 0.238 13.293 -1.079) 13.339 28.355 ( -1.180 11.705 0.739) 11.788 28.374 ( 1.102 12.254 -0.919) 12.338 29.217 ( 0.324 7.714 1.750) 7.917 29.259 ( -0.619 7.129 -2.132) 7.467 29.411 ( 2.977 6.010 3.901) 7.758 29.499 ( -1.936 6.998 -4.497) 8.541 29.868 ( -2.050 1.565 0.663) 2.663 29.922 ( 1.459 -0.268 -3.568) 3.864 30.151 ( -0.387 -2.427 5.163) 5.718 30.223 ( -1.971 -1.944 -2.356) 3.636 30.498 ( 1.508 3.985 7.449) 8.582 30.623 ( 0.089 -0.723 -3.782) 3.852 31.430 ( 1.211 -5.585 -0.536) 5.740 31.449 ( -0.736 -1.420 -2.243) 2.755 32.929 ( -0.441 -6.026 2.323) 6.474 32.954 ( -0.504 -6.283 0.138) 6.305 33.182 ( 1.986 -9.826 1.253) 10.103 33.226 ( -1.063 -7.560 -2.504) 8.035 33.766 ( -0.123 -3.516 3.460) 4.935 33.876 ( -2.157 -7.471 -6.839) 10.356 34.095 ( 5.672 -12.296 4.085) 14.144 34.154 ( -3.272 -13.410 -1.314) 13.866 47.308 ( -0.219 2.134 0.097) 2.147 47.310 ( 0.223 2.032 -0.017) 2.044 47.497 ( -0.040 2.320 0.294) 2.339 47.504 ( 0.038 2.171 -0.401) 2.208 97.200 ( -0.188 7.566 0.786) 7.609 97.214 ( 0.059 6.416 -0.429) 6.430 97.243 ( 0.044 6.084 0.888) 6.149 97.268 ( 0.172 7.774 -1.294) 7.883 98.772 ( -0.082 -1.842 1.230) 2.216 98.799 ( 0.177 -2.020 -1.227) 2.370 99.440 ( 2.339 -11.908 3.156) 12.540 99.515 ( -2.604 -15.767 -3.734) 16.411 ======================= Grid point 93 (41/60) ======================= q-point: (-0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -11.584 17.761 3.345) 21.467 1.248 ( -9.760 17.306 7.720) 21.315 1.572 ( -5.716 7.073 -11.390) 14.575 1.846 ( -5.856 2.065 -10.922) 12.564 1.953 ( 11.162 4.101 2.344) 12.120 1.976 ( 5.088 7.294 -1.389) 9.001 2.068 ( -0.067 9.382 -1.318) 9.474 2.268 ( 0.952 9.212 6.124) 11.103 2.321 ( 4.219 10.124 2.778) 11.315 2.350 ( 0.001 3.299 2.688) 4.256 2.570 ( -3.773 5.608 5.263) 8.566 2.658 ( -5.918 7.573 -0.511) 9.624 2.712 ( -0.219 -1.502 -1.021) 1.830 2.787 ( -8.892 8.514 0.009) 12.311 2.863 ( 6.976 4.299 -2.656) 8.614 2.990 ( -6.413 5.046 -0.223) 8.163 3.096 ( 8.690 0.869 -1.622) 8.883 3.221 ( -1.767 -1.030 0.015) 2.046 3.295 ( -5.084 1.387 4.852) 7.163 3.379 ( -6.815 6.705 -0.414) 9.569 3.515 ( -8.212 7.238 -1.756) 11.087 3.525 ( -10.172 0.478 -4.409) 11.097 3.595 ( -5.705 1.317 2.542) 6.383 3.688 ( -7.150 1.636 -0.689) 7.367 3.754 ( -1.174 -0.104 -0.173) 1.191 3.816 ( -0.910 -5.775 2.685) 6.434 3.919 ( -1.172 3.300 2.439) 4.268 3.943 ( 1.261 -2.162 2.120) 3.280 4.021 ( -2.119 1.520 -3.777) 4.590 4.025 ( -0.008 3.902 -2.572) 4.673 4.092 ( 2.908 -2.096 -0.321) 3.599 4.189 ( 0.612 2.559 0.368) 2.657 4.341 ( 5.326 -3.259 2.616) 6.770 4.392 ( -1.558 2.913 2.618) 4.215 4.420 ( -0.813 1.913 -1.164) 2.382 4.442 ( -2.232 4.487 -4.724) 6.887 4.538 ( -0.173 0.071 5.199) 5.203 4.566 ( 0.777 1.580 -3.702) 4.099 4.682 ( 2.876 5.234 -5.480) 8.105 4.757 ( 3.772 -1.052 3.303) 5.123 4.794 ( -3.005 1.390 3.344) 4.706 4.914 ( 6.612 -0.813 2.040) 6.967 4.999 ( 1.215 1.527 0.451) 2.003 5.065 ( 0.383 1.480 -1.159) 1.919 5.073 ( 3.942 0.171 -0.478) 3.975 5.173 ( -1.041 0.684 -1.027) 1.615 5.262 ( 6.107 -1.209 -2.727) 6.797 5.323 ( -4.162 1.047 2.020) 4.743 5.401 ( -1.219 -0.312 -1.589) 2.027 5.499 ( 0.012 -1.482 -1.578) 2.165 5.529 ( -6.556 -0.777 1.473) 6.764 5.673 ( -3.804 -2.900 -1.481) 5.007 5.759 ( 0.093 0.205 2.463) 2.473 5.779 ( 0.911 -2.455 -1.166) 2.866 5.870 ( -0.492 0.438 -0.281) 0.717 5.904 ( 0.768 -2.464 1.199) 2.846 5.993 ( 7.198 0.927 -3.496) 8.056 6.063 ( 0.161 1.761 -0.579) 1.861 6.124 ( -0.279 -2.090 0.132) 2.113 6.229 ( 4.400 -0.840 2.580) 5.170 6.288 ( 5.881 -1.465 2.338) 6.496 6.418 ( 6.430 -0.715 -0.898) 6.532 6.616 ( 4.063 3.606 -1.086) 5.540 6.657 ( 4.890 1.592 2.173) 5.583 7.045 ( 1.770 -0.973 2.798) 3.451 7.110 ( 2.213 -1.316 -4.053) 4.802 7.306 ( -2.425 -1.772 -0.083) 3.004 7.393 ( -1.007 -3.095 1.621) 3.636 7.508 ( -0.544 -3.303 -0.964) 3.483 7.576 ( -0.314 0.858 1.802) 2.021 7.628 ( 2.867 -2.443 -4.523) 5.886 7.677 ( 1.026 -1.792 0.842) 2.230 7.781 ( -3.213 -2.329 5.011) 6.392 7.969 ( 2.323 -2.113 -2.780) 4.194 8.124 ( -2.788 4.500 0.753) 5.347 8.244 ( 1.125 6.198 -1.227) 6.418 9.033 ( -1.172 0.337 0.817) 1.467 9.095 ( 0.172 0.390 -0.631) 0.761 9.196 ( -0.001 3.159 -0.186) 3.164 9.224 ( 0.915 -2.352 0.395) 2.555 9.385 ( -0.115 -0.489 3.678) 3.712 9.500 ( 1.164 4.490 -5.394) 7.114 9.511 ( -1.649 3.071 2.308) 4.180 9.660 ( 3.674 6.081 -1.880) 7.349 10.530 ( -0.688 5.446 4.315) 6.982 10.711 ( 2.002 4.133 -7.329) 8.649 11.051 ( -2.990 -2.067 6.798) 7.708 11.233 ( 0.213 -7.022 -1.297) 7.144 11.272 ( -2.562 -5.743 1.540) 6.474 11.317 ( -1.826 -7.334 -1.727) 7.752 11.368 ( -2.977 -5.868 -1.454) 6.739 11.377 ( 2.775 -6.264 1.222) 6.959 11.413 ( 1.834 -2.353 -3.262) 4.421 11.488 ( 2.735 -5.400 -0.521) 6.076 11.752 ( -4.168 -2.643 1.759) 5.240 11.891 ( 0.045 -5.407 -0.051) 5.407 12.087 ( -0.026 -5.991 3.647) 7.013 12.127 ( -1.316 -6.462 -3.621) 7.523 12.359 ( 0.068 -5.012 0.756) 5.070 12.393 ( 0.744 -5.986 -0.827) 6.088 12.856 ( -3.739 1.689 0.491) 4.132 12.921 ( -2.851 1.374 -0.033) 3.165 13.090 ( 2.483 -0.832 0.233) 2.630 13.154 ( 3.351 -0.095 -0.935) 3.481 13.780 ( -0.469 3.939 0.214) 3.972 13.871 ( 2.851 4.110 -1.071) 5.116 14.071 ( -4.384 1.139 -0.077) 4.530 14.185 ( 1.154 1.404 0.783) 1.979 14.383 ( 0.762 1.174 2.896) 3.217 14.412 ( 1.657 0.954 -1.199) 2.257 14.434 ( -0.171 0.877 -0.931) 1.290 14.528 ( 2.322 -1.112 -0.259) 2.588 15.245 ( 0.629 3.052 0.356) 3.137 15.280 ( 1.301 3.338 -1.149) 3.763 15.346 ( -0.340 3.306 -0.244) 3.332 15.376 ( 0.974 2.347 1.101) 2.769 15.984 ( 1.797 -0.853 0.286) 2.010 16.010 ( 2.970 -1.133 -0.177) 3.184 16.373 ( -0.584 1.292 -0.699) 1.581 16.399 ( 1.062 1.123 0.404) 1.597 16.505 ( -4.547 -2.581 0.724) 5.278 16.568 ( -3.726 -3.223 -1.028) 5.032 16.864 ( -1.006 -5.119 1.058) 5.323 16.875 ( -1.636 -5.641 -0.634) 5.907 17.533 ( -0.070 -0.441 -0.142) 0.469 17.649 ( 7.093 4.593 -0.008) 8.450 17.804 ( -1.818 -1.949 1.165) 2.909 17.839 ( -4.806 -1.782 0.151) 5.128 17.986 ( -2.949 -3.535 -0.811) 4.675 18.193 ( 0.457 0.346 1.107) 1.247 18.242 ( 6.224 0.437 -0.809) 6.292 18.313 ( 3.946 -0.906 -0.392) 4.067 19.555 ( -1.743 -0.364 2.359) 2.956 19.626 ( -1.455 -2.628 -2.757) 4.077 19.838 ( -2.846 0.185 0.265) 2.864 19.866 ( -2.395 -0.633 -0.107) 2.480 20.879 ( -1.440 -3.105 0.152) 3.426 20.895 ( -0.932 -3.491 0.052) 3.614 21.145 ( -0.975 0.022 -0.328) 1.029 21.167 ( 0.218 -0.134 -0.014) 0.256 22.796 ( 0.322 -3.930 5.943) 7.132 22.889 ( 1.311 -4.531 -5.170) 6.998 24.254 ( 0.046 -1.372 -0.086) 1.375 24.276 ( 0.795 -1.901 0.186) 2.069 25.313 ( -0.551 1.536 2.814) 3.253 25.392 ( 0.540 0.663 -3.384) 3.490 25.913 ( -1.107 -0.567 2.133) 2.469 26.000 ( 1.130 -1.818 -1.633) 2.692 27.246 ( -0.246 -0.190 -0.413) 0.517 27.259 ( 0.844 -1.650 -0.014) 1.853 27.275 ( -0.422 -2.633 0.109) 2.668 27.324 ( 1.196 -1.061 0.626) 1.717 27.468 ( -0.935 2.066 -0.874) 2.430 27.497 ( 1.056 1.673 0.639) 2.079 27.565 ( -2.182 -0.519 0.141) 2.247 27.612 ( -0.092 -0.310 -0.098) 0.338 27.925 ( -0.298 12.519 0.284) 12.526 27.954 ( 0.015 12.789 -0.517) 12.799 28.354 ( 1.333 12.972 0.966) 13.076 28.429 ( 4.319 10.553 -1.079) 11.453 29.199 ( -2.129 7.580 0.589) 7.895 29.231 ( -1.721 7.309 -0.438) 7.521 29.405 ( -3.960 5.873 -1.216) 7.187 29.506 ( 3.324 6.670 -1.442) 7.591 29.796 ( -2.165 2.228 1.075) 3.288 30.036 ( 5.485 -1.238 -1.431) 5.802 30.118 ( -2.555 0.153 1.584) 3.010 30.209 ( 1.370 -2.528 2.515) 3.820 30.575 ( 5.787 6.264 3.367) 9.169 30.671 ( 5.308 -3.905 -1.170) 6.692 31.282 ( -7.503 -3.617 -1.399) 8.446 31.593 ( 6.360 -5.050 -1.619) 8.280 32.925 ( -0.644 -6.519 2.652) 7.067 32.959 ( 1.136 -6.176 0.580) 6.306 33.197 ( -0.072 -6.324 -2.239) 6.709 33.213 ( -0.016 -10.469 0.068) 10.469 33.655 ( -8.265 -3.744 -0.285) 9.079 33.888 ( -1.140 -6.924 1.705) 7.221 34.054 ( -3.994 -13.184 -3.868) 14.309 34.197 ( 3.292 -11.077 1.566) 11.662 47.299 ( -0.435 2.199 0.063) 2.242 47.318 ( 0.293 1.988 -0.011) 2.009 47.496 ( -0.112 2.333 0.255) 2.350 47.503 ( -0.096 2.199 -0.352) 2.229 97.196 ( 0.108 7.734 0.456) 7.748 97.224 ( 0.122 5.413 -0.118) 5.416 97.249 ( 0.529 6.010 1.223) 6.156 97.293 ( 2.951 8.692 -1.862) 9.366 98.772 ( -0.013 -1.707 1.263) 2.123 98.798 ( -0.032 -2.123 -1.432) 2.561 99.360 ( -9.008 -12.121 -1.513) 15.177 99.468 ( -3.555 -13.245 1.194) 13.766 ======================= Grid point 94 (42/60) ======================= q-point: (-0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 1.513 24.153 3.391) 24.437 1.105 ( -6.585 23.163 4.504) 24.499 1.423 ( -5.505 9.684 -16.135) 19.607 1.678 ( -9.033 12.156 -11.952) 19.293 1.920 ( -1.514 6.095 5.906) 8.621 2.017 ( -2.997 7.401 6.281) 10.159 2.250 ( 6.042 4.771 2.967) 8.251 2.294 ( -3.006 0.109 3.745) 4.804 2.317 ( 3.059 7.647 1.271) 8.334 2.430 ( -3.126 9.682 8.842) 13.479 2.499 ( -5.529 4.660 4.484) 8.509 2.555 ( 3.940 6.689 -2.793) 8.250 2.650 ( -1.564 8.610 -6.627) 10.977 2.706 ( 1.303 4.649 -5.685) 7.458 2.911 ( -2.878 1.556 1.741) 3.707 2.953 ( -3.268 3.766 2.155) 5.432 3.097 ( -8.474 9.658 6.666) 14.475 3.180 ( -1.773 1.841 -4.096) 4.828 3.223 ( -0.726 4.953 -3.906) 6.350 3.284 ( -1.249 5.335 -1.512) 5.684 3.306 ( -3.078 0.979 -3.336) 4.643 3.432 ( -5.639 10.329 0.917) 11.804 3.511 ( -1.455 10.445 -4.028) 11.289 3.565 ( -6.760 -0.296 3.186) 7.479 3.714 ( -1.778 3.112 6.269) 7.221 3.795 ( -0.430 -4.793 -1.282) 4.980 3.898 ( 2.149 3.122 -1.278) 4.000 3.951 ( -1.215 -0.089 1.336) 1.808 4.034 ( 1.294 3.645 -6.869) 7.883 4.054 ( -0.312 -1.847 -1.282) 2.270 4.130 ( 3.697 0.967 0.828) 3.910 4.234 ( 2.264 1.460 3.183) 4.169 4.299 ( -3.805 1.082 0.557) 3.995 4.363 ( -3.843 0.543 -1.496) 4.159 4.407 ( 1.272 -0.528 -0.043) 1.378 4.434 ( 0.294 -1.685 0.211) 1.723 4.541 ( -0.466 0.339 0.333) 0.666 4.621 ( 1.775 2.294 2.069) 3.563 4.698 ( 2.358 -3.845 -1.544) 4.768 4.778 ( 0.720 1.511 6.572) 6.782 4.877 ( 6.044 -0.279 1.250) 6.178 4.943 ( -2.414 -0.778 -3.228) 4.106 5.039 ( -0.677 1.797 -1.744) 2.594 5.085 ( 6.649 -2.055 -1.461) 7.111 5.130 ( -1.937 2.156 -2.942) 4.130 5.142 ( -1.527 -0.249 -0.305) 1.577 5.260 ( -1.994 -3.542 0.228) 4.071 5.374 ( 0.703 -1.341 3.453) 3.771 5.397 ( 1.908 2.388 2.045) 3.678 5.436 ( 0.859 -0.940 -3.730) 3.941 5.505 ( 0.822 -1.584 -2.792) 3.314 5.570 ( -4.735 -0.141 4.300) 6.397 5.745 ( -1.604 -0.181 3.149) 3.539 5.768 ( -1.910 -1.936 -0.767) 2.825 5.863 ( 0.536 1.171 0.374) 1.341 5.954 ( 1.400 -4.631 -3.298) 5.855 6.031 ( 0.174 1.289 0.396) 1.360 6.118 ( 1.700 -2.969 -2.936) 4.509 6.207 ( 8.852 -0.208 -0.162) 8.856 6.331 ( 3.701 0.373 3.778) 5.301 6.405 ( 6.637 1.359 -1.467) 6.932 6.518 ( 3.512 -1.646 1.495) 4.156 6.686 ( 1.526 -0.058 -1.796) 2.358 6.726 ( 1.132 -3.907 0.849) 4.155 7.040 ( -1.932 -2.020 1.463) 3.154 7.117 ( 0.276 -2.089 -2.180) 3.032 7.347 ( 3.725 -1.008 -0.439) 3.884 7.389 ( 0.767 -2.662 0.734) 2.866 7.481 ( 0.352 -2.648 1.229) 2.941 7.619 ( 1.504 2.993 0.782) 3.440 7.663 ( 2.373 -1.781 -4.637) 5.505 7.698 ( 1.806 -4.991 1.752) 5.590 7.724 ( -3.076 -1.518 2.998) 4.556 7.955 ( -4.346 3.176 -1.378) 5.556 8.119 ( 2.594 1.047 0.687) 2.880 8.244 ( -1.097 4.420 -0.613) 4.595 9.014 ( -0.713 -2.242 0.522) 2.410 9.093 ( -0.476 0.066 -0.683) 0.835 9.187 ( 0.571 0.287 -2.049) 2.147 9.252 ( 0.516 -2.678 2.559) 3.740 9.397 ( 0.410 -0.079 5.576) 5.591 9.480 ( -1.347 1.576 3.468) 4.040 9.533 ( 2.433 10.546 -5.368) 12.081 9.709 ( 1.730 7.347 -6.128) 9.722 10.543 ( 1.067 4.652 4.553) 6.596 10.723 ( 0.675 2.819 -6.882) 7.467 11.018 ( -1.126 -3.011 3.955) 5.097 11.179 ( -5.073 -8.943 -1.216) 10.353 11.227 ( -2.418 -7.231 0.958) 7.684 11.287 ( -1.706 -2.415 -0.311) 2.973 11.319 ( -0.169 -4.850 0.331) 4.864 11.435 ( 1.045 -5.872 -3.424) 6.877 11.453 ( 3.224 -3.806 1.475) 5.202 11.530 ( 1.699 -6.011 -1.420) 6.406 11.690 ( -2.085 -1.335 2.810) 3.745 11.855 ( -3.374 -4.523 -1.139) 5.757 12.081 ( -0.741 -4.094 0.924) 4.262 12.112 ( -0.051 -6.020 -1.715) 6.259 12.364 ( 0.433 -5.109 1.105) 5.245 12.404 ( 0.453 -6.204 -0.735) 6.264 12.802 ( -1.668 1.907 0.275) 2.549 12.857 ( -3.330 1.481 -0.133) 3.647 13.139 ( 2.016 -2.193 0.781) 3.080 13.202 ( 1.742 -0.799 -1.798) 2.628 13.791 ( 1.671 3.464 0.370) 3.864 13.903 ( -0.979 1.673 -0.452) 1.990 14.017 ( 0.539 4.748 0.317) 4.789 14.165 ( -3.381 3.346 0.677) 4.805 14.407 ( 1.768 0.828 2.818) 3.429 14.453 ( 1.682 0.001 0.206) 1.694 14.460 ( 2.861 0.013 -1.854) 3.410 14.554 ( 0.065 -3.170 -0.296) 3.184 15.271 ( 1.810 3.044 0.704) 3.611 15.303 ( 1.043 3.404 -0.524) 3.599 15.346 ( 0.573 2.831 -0.609) 2.952 15.390 ( 0.115 2.353 0.731) 2.467 16.039 ( 3.995 0.123 0.022) 3.997 16.084 ( 4.140 -0.397 0.153) 4.161 16.367 ( 0.099 1.079 -0.279) 1.119 16.387 ( -4.858 -2.197 -0.108) 5.333 16.414 ( -3.074 -0.841 -0.086) 3.188 16.463 ( -5.335 -1.429 -0.811) 5.583 16.841 ( -1.167 -4.834 -0.345) 4.985 16.846 ( -1.127 -4.964 1.025) 5.192 17.549 ( 1.847 -1.142 -0.211) 2.181 17.712 ( -6.553 -1.908 -0.161) 6.827 17.781 ( 3.278 -2.319 0.143) 4.017 17.855 ( 7.470 2.348 2.146) 8.119 17.933 ( -0.827 -4.533 -2.358) 5.176 18.183 ( -2.468 2.893 0.577) 3.846 18.353 ( 4.201 1.611 2.093) 4.962 18.406 ( 5.716 -0.481 -1.620) 5.960 19.514 ( -2.334 1.111 0.179) 2.591 19.568 ( -4.359 -1.344 -0.757) 4.624 19.781 ( -2.486 -0.125 0.057) 2.490 19.804 ( -3.475 -0.342 0.242) 3.500 20.851 ( -1.328 -2.931 0.186) 3.223 20.869 ( -1.506 -3.322 -0.176) 3.652 21.130 ( -0.473 0.368 0.405) 0.723 21.166 ( -0.300 -0.106 -0.452) 0.553 22.810 ( -0.339 -5.226 7.115) 8.834 22.915 ( 2.281 -6.150 -5.634) 8.647 24.262 ( 0.756 -1.503 -0.075) 1.684 24.285 ( -0.026 -2.136 0.271) 2.154 25.309 ( -0.387 1.773 2.826) 3.359 25.392 ( 0.216 0.694 -3.824) 3.892 25.908 ( 0.101 -0.168 2.839) 2.846 26.010 ( 0.120 -1.724 -2.332) 2.903 27.236 ( -0.166 -0.105 0.080) 0.213 27.271 ( -0.019 -2.683 0.427) 2.717 27.293 ( 1.863 -2.390 -0.070) 3.031 27.344 ( 0.636 -1.425 0.621) 1.680 27.446 ( -0.553 1.657 -1.928) 2.601 27.509 ( -2.118 0.348 0.217) 2.158 27.529 ( 0.460 1.015 1.243) 1.669 27.602 ( -0.819 0.686 -0.433) 1.153 27.924 ( 0.151 12.054 0.006) 12.055 27.947 ( -0.688 12.142 -0.116) 12.162 28.404 ( 2.907 12.689 2.913) 13.340 28.516 ( 4.408 8.139 -3.165) 9.782 29.165 ( -0.998 8.151 0.119) 8.213 29.198 ( -1.406 7.826 0.367) 7.960 29.326 ( -3.609 6.604 0.791) 7.567 29.516 ( -1.660 6.458 -10.281) 12.254 29.840 ( 5.681 -0.312 7.595) 9.490 30.031 ( -2.948 -0.923 1.941) 3.648 30.110 ( -0.077 0.451 0.789) 0.912 30.269 ( 2.385 -5.174 -1.569) 5.910 30.776 ( 11.059 4.355 2.767) 12.204 30.826 ( 15.225 -2.683 2.407) 15.646 31.147 ( -6.391 -2.887 -2.231) 7.359 31.609 ( -6.435 -8.660 -1.754) 10.931 32.923 ( 0.495 -6.362 1.622) 6.585 32.991 ( 1.213 -6.880 0.758) 7.027 33.185 ( -1.217 -10.987 -0.278) 11.058 33.243 ( 4.907 -4.074 0.995) 6.455 33.496 ( -7.590 -3.951 -3.288) 9.167 33.724 ( -14.161 -6.622 0.192) 15.634 34.054 ( 2.566 -8.113 1.931) 8.726 34.233 ( 0.457 -9.057 -1.699) 9.226 47.295 ( 0.042 2.365 0.178) 2.372 47.318 ( -0.247 1.918 -0.155) 1.940 47.494 ( -0.079 2.369 0.176) 2.377 47.500 ( -0.134 2.251 -0.284) 2.273 97.206 ( 0.677 6.994 0.420) 7.039 97.221 ( -0.196 5.538 -0.047) 5.541 97.264 ( 0.734 6.875 2.233) 7.266 97.367 ( 4.483 7.219 -4.136) 9.451 98.778 ( 0.364 -1.896 1.056) 2.200 98.796 ( 0.319 -1.809 -1.481) 2.360 99.174 ( -8.168 -6.822 -0.316) 10.647 99.344 ( -8.975 -10.728 1.153) 14.035 ======================= Grid point 95 (43/60) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -2.267 24.118 1.875) 24.296 1.606 ( 0.811 18.128 -3.877) 18.556 1.707 ( 4.236 20.236 3.626) 20.990 1.857 ( -5.007 15.520 -9.686) 18.968 2.048 ( -0.731 5.593 3.324) 6.547 2.088 ( 3.720 7.369 -0.499) 8.270 2.299 ( -0.332 1.753 1.254) 2.181 2.333 ( -0.098 -0.524 -1.575) 1.663 2.448 ( -1.990 6.560 6.124) 9.192 2.544 ( 1.762 2.452 -2.172) 3.720 2.603 ( -2.186 5.675 8.563) 10.503 2.744 ( 0.581 2.455 -3.133) 4.022 2.820 ( -5.040 7.824 -3.605) 9.981 2.833 ( 5.398 4.291 -2.924) 7.491 2.917 ( 4.729 1.305 2.383) 5.454 2.995 ( -0.786 3.266 -1.915) 3.866 3.058 ( -3.306 4.216 2.962) 6.121 3.119 ( -1.200 2.718 -4.669) 5.534 3.310 ( 2.797 1.344 3.130) 4.407 3.347 ( -2.421 1.986 0.661) 3.201 3.506 ( -1.286 5.131 0.834) 5.355 3.522 ( 1.852 6.727 -0.625) 7.005 3.599 ( -0.580 3.546 0.687) 3.658 3.691 ( 1.206 4.970 -7.189) 8.822 3.797 ( 1.057 2.182 5.251) 5.784 3.874 ( 3.026 7.673 5.674) 10.012 3.923 ( -1.845 -0.204 -2.143) 2.836 3.957 ( 0.616 0.428 0.287) 0.803 4.001 ( -1.767 -0.592 0.236) 1.878 4.077 ( 1.060 -2.522 0.075) 2.736 4.105 ( -2.113 -5.488 2.312) 6.319 4.207 ( 0.467 6.459 -8.870) 10.982 4.246 ( 0.932 -1.929 3.837) 4.394 4.328 ( -1.334 -3.259 0.078) 3.522 4.464 ( 1.200 9.476 1.074) 9.612 4.485 ( 0.198 4.396 1.330) 4.597 4.562 ( -1.890 1.767 -1.052) 2.793 4.611 ( -1.620 -3.491 -4.746) 6.110 4.717 ( 2.869 0.804 4.996) 5.817 4.835 ( -3.165 -1.515 -3.328) 4.836 4.866 ( 1.247 0.148 4.565) 4.735 4.962 ( -1.444 -3.144 -1.657) 3.836 4.969 ( 2.095 -0.475 0.821) 2.300 5.066 ( 0.939 -1.614 -7.980) 8.195 5.123 ( -3.856 2.388 2.308) 5.089 5.167 ( 2.608 0.547 -0.528) 2.717 5.280 ( 5.068 1.243 -0.209) 5.222 5.307 ( -3.607 1.012 -1.970) 4.232 5.402 ( -0.357 -0.458 3.967) 4.009 5.484 ( 0.808 -0.566 -2.234) 2.442 5.494 ( 2.589 -1.038 4.033) 4.904 5.588 ( -2.416 1.237 -2.705) 3.832 5.695 ( -3.459 0.690 2.685) 4.433 5.710 ( 1.993 -0.640 0.730) 2.217 5.841 ( 0.321 -3.061 2.879) 4.214 5.884 ( -0.399 -2.811 -1.798) 3.361 6.048 ( -1.353 1.777 0.393) 2.268 6.112 ( 0.553 1.052 -4.829) 4.973 6.332 ( 3.791 -1.377 1.736) 4.391 6.352 ( -2.785 -0.915 0.236) 2.941 6.474 ( 1.126 -1.900 3.438) 4.087 6.553 ( -0.735 -1.011 -3.350) 3.575 6.626 ( -1.022 -1.195 1.378) 2.091 6.656 ( 0.200 -0.763 -1.408) 1.613 7.032 ( 0.408 -0.242 1.041) 1.144 7.060 ( 0.037 -1.264 -1.467) 1.937 7.314 ( 0.239 -4.309 -0.409) 4.335 7.332 ( 0.637 -4.096 -2.005) 4.605 7.462 ( -1.263 -4.391 2.955) 5.441 7.513 ( 1.016 -4.468 -1.083) 4.708 7.566 ( -2.366 -4.744 4.526) 6.971 7.654 ( 1.493 -4.138 -3.206) 5.444 7.919 ( -5.152 5.862 -0.555) 7.824 7.921 ( 5.565 6.633 -0.520) 8.673 8.195 ( -0.394 0.649 2.927) 3.024 8.251 ( 0.124 0.715 -2.209) 2.325 8.963 ( 0.856 -2.003 3.692) 4.287 9.042 ( -1.709 -1.048 -1.639) 2.589 9.116 ( 0.108 -5.005 -2.268) 5.496 9.165 ( 0.969 -3.546 -4.525) 5.830 9.503 ( 0.671 4.353 7.976) 9.111 9.528 ( -1.250 3.371 6.182) 7.151 9.794 ( 1.608 9.194 -3.376) 9.925 9.842 ( -1.021 6.342 -6.717) 9.294 10.621 ( 0.475 0.279 4.847) 4.878 10.741 ( -0.568 -0.531 -6.303) 6.350 10.877 ( -3.344 -8.785 1.879) 9.586 10.920 ( 3.544 -9.870 -2.480) 10.776 11.093 ( 0.489 -5.237 2.546) 5.844 11.116 ( -0.449 -4.807 -0.155) 4.830 11.305 ( -1.921 -3.872 1.612) 4.613 11.325 ( 1.849 -4.025 0.651) 4.477 11.458 ( -1.284 1.517 -1.212) 2.328 11.471 ( 0.490 0.317 -2.491) 2.558 11.678 ( 2.115 -1.451 3.235) 4.129 11.730 ( -1.480 -2.697 -1.733) 3.531 11.996 ( -0.998 -3.629 1.600) 4.089 12.037 ( 0.752 -1.538 -2.121) 2.726 12.247 ( 0.137 -6.275 2.215) 6.656 12.293 ( -0.034 -5.096 -2.060) 5.496 12.849 ( -0.288 2.908 0.675) 2.999 12.860 ( 0.156 3.130 -0.296) 3.148 13.121 ( 0.562 -1.577 2.110) 2.693 13.180 ( -0.647 -1.650 -3.257) 3.708 13.893 ( -0.227 2.530 0.656) 2.624 13.902 ( 0.927 1.996 -0.061) 2.202 14.150 ( -0.121 2.723 1.109) 2.943 14.175 ( -0.118 3.162 -1.158) 3.370 14.436 ( -0.124 -0.155 1.364) 1.378 14.455 ( -1.246 0.099 0.697) 1.431 14.490 ( -1.224 -0.387 -0.248) 1.307 14.511 ( 2.292 -0.602 -1.242) 2.675 15.349 ( 0.078 1.884 0.437) 1.936 15.359 ( 0.010 1.692 -0.466) 1.755 15.402 ( 0.879 1.114 0.384) 1.470 15.409 ( -0.923 1.030 -0.249) 1.405 16.137 ( -1.299 1.512 0.370) 2.027 16.147 ( 1.714 1.248 -0.588) 2.200 16.266 ( -0.799 -2.371 0.751) 2.612 16.280 ( 0.432 -2.467 -0.569) 2.568 16.414 ( 0.866 2.195 1.051) 2.583 16.443 ( -1.195 1.661 -1.590) 2.591 16.729 ( 0.262 -4.881 0.824) 4.957 16.743 ( -0.018 -4.673 -0.453) 4.695 17.578 ( 1.800 -0.667 0.266) 1.938 17.584 ( -1.865 -1.362 -0.260) 2.324 17.701 ( -0.648 -4.550 1.588) 4.863 17.736 ( 0.875 -6.345 -1.674) 6.620 18.145 ( -2.579 4.990 2.445) 6.126 18.209 ( 3.261 3.501 -3.694) 6.045 18.388 ( -0.853 -1.076 3.364) 3.634 18.440 ( 0.006 -2.115 -1.711) 2.720 19.536 ( -0.646 2.421 0.178) 2.512 19.541 ( 0.583 2.258 -0.237) 2.344 19.739 ( 0.357 -1.564 0.517) 1.685 19.748 ( -0.261 -1.581 -0.334) 1.637 20.783 ( -0.027 -2.329 0.626) 2.412 20.795 ( -0.010 -2.375 -0.447) 2.417 21.132 ( 0.416 -0.364 0.614) 0.826 21.146 ( -0.362 -0.797 -0.693) 1.117 22.732 ( -0.417 -2.542 3.533) 4.372 22.808 ( 0.461 -5.135 -3.379) 6.165 24.239 ( -0.202 -1.231 0.422) 1.317 24.248 ( 0.178 -1.335 -0.384) 1.401 25.349 ( -0.186 1.958 2.434) 3.129 25.406 ( 0.103 0.835 -2.794) 2.918 25.917 ( 0.365 -0.166 2.567) 2.598 25.970 ( -0.346 -1.304 -2.316) 2.680 27.218 ( -0.175 -1.144 0.345) 1.208 27.224 ( 0.074 -1.507 -0.224) 1.525 27.295 ( -0.817 -1.297 0.455) 1.599 27.306 ( 1.337 -1.695 -0.197) 2.168 27.458 ( -1.234 0.975 -0.046) 1.573 27.478 ( 0.637 -0.011 -1.357) 1.499 27.562 ( 0.296 0.317 2.729) 2.764 27.607 ( -0.059 0.308 -1.626) 1.656 28.166 ( -0.080 10.700 0.389) 10.708 28.176 ( 0.094 10.866 -0.486) 10.877 28.618 ( -0.084 5.436 2.017) 5.799 28.660 ( 0.122 3.191 -1.806) 3.668 29.343 ( -0.587 8.038 0.863) 8.106 29.361 ( 0.125 9.260 -0.761) 9.292 29.452 ( 1.543 7.040 3.993) 8.239 29.569 ( -2.026 4.693 -7.285) 8.900 29.899 ( 3.199 -2.614 4.091) 5.814 29.963 ( -1.040 -3.218 -2.451) 4.177 30.076 ( -0.226 -2.159 3.144) 3.821 30.148 ( -1.460 -4.872 -3.838) 6.372 30.881 ( 1.858 1.841 9.215) 9.579 31.056 ( -0.916 1.354 -5.418) 5.660 31.174 ( -2.755 -3.358 0.907) 4.437 31.242 ( 2.553 -2.535 -3.725) 5.178 32.814 ( 0.633 -6.309 1.780) 6.586 32.855 ( -0.195 -5.770 -1.779) 6.041 32.934 ( -0.980 -10.354 7.911) 13.067 33.097 ( -0.534 -12.579 -7.113) 14.461 33.469 ( 4.009 3.356 3.744) 6.431 33.556 ( -3.948 3.405 -4.512) 6.895 33.959 ( 2.206 -7.248 4.620) 8.873 34.045 ( -1.514 -8.009 -3.411) 8.836 47.347 ( 0.039 2.136 0.348) 2.164 47.353 ( -0.062 1.912 -0.160) 1.920 47.544 ( 0.004 2.328 0.013) 2.328 47.546 ( 0.022 2.242 -0.218) 2.252 97.326 ( 0.139 5.061 0.347) 5.075 97.338 ( -0.155 5.283 -0.844) 5.352 97.427 ( 0.191 6.021 3.386) 6.910 97.500 ( -0.279 3.920 -3.401) 5.197 98.743 ( -0.304 -1.654 0.855) 1.887 98.764 ( 0.332 -1.928 -1.018) 2.206 99.025 ( 1.096 -4.917 2.044) 5.436 99.065 ( -0.918 -6.123 -1.655) 6.409 ======================= Grid point 96 (44/60) ======================= q-point: ( 0.17 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.353 23.323 -0.006) 23.326 1.609 ( 0.200 18.588 0.583) 18.598 1.754 ( 1.961 20.033 -5.314) 20.819 1.843 ( 3.115 15.477 1.183) 15.831 2.047 ( 0.997 1.479 1.517) 2.342 2.179 ( 4.400 8.204 -0.760) 9.341 2.253 ( -1.127 1.719 -0.289) 2.076 2.344 ( -8.710 3.725 1.960) 9.674 2.414 ( 3.885 -1.165 0.192) 4.060 2.598 ( 1.732 2.249 -0.140) 2.842 2.619 ( 2.167 4.643 5.639) 7.619 2.658 ( -3.884 10.019 -4.282) 11.568 2.758 ( -0.259 5.805 1.747) 6.068 2.896 ( 3.489 1.336 -1.848) 4.169 2.974 ( 0.449 0.536 -2.442) 2.540 3.057 ( 4.026 5.257 -2.503) 7.079 3.074 ( 0.090 2.944 3.944) 4.923 3.161 ( 2.456 -2.478 0.925) 3.610 3.264 ( -1.237 4.726 0.554) 4.917 3.413 ( 6.928 3.071 0.375) 7.588 3.486 ( 0.424 4.213 -2.179) 4.762 3.583 ( 0.676 5.951 -1.532) 6.182 3.597 ( 3.416 0.552 0.599) 3.512 3.689 ( 0.564 4.035 -1.847) 4.474 3.760 ( -5.249 -0.489 3.184) 6.158 3.890 ( -0.308 2.484 -2.109) 3.273 3.916 ( -0.395 3.646 4.138) 5.529 3.969 ( 0.905 -1.562 -2.294) 2.919 3.976 ( -0.877 -3.468 1.702) 3.961 4.071 ( 0.167 3.839 0.886) 3.943 4.144 ( 2.811 -1.567 0.486) 3.255 4.225 ( -1.082 6.431 -2.096) 6.850 4.295 ( 4.013 -3.006 0.461) 5.035 4.344 ( 4.270 -0.614 0.994) 4.427 4.474 ( -0.627 6.582 2.940) 7.236 4.495 ( -2.577 0.689 0.501) 2.714 4.525 ( 3.274 7.429 -1.547) 8.265 4.542 ( -3.924 -5.252 -2.675) 7.080 4.702 ( -4.121 0.003 -0.672) 4.176 4.860 ( 1.221 -1.269 1.481) 2.301 4.877 ( 2.123 -0.939 2.931) 3.739 4.930 ( 1.293 -0.799 -1.686) 2.270 5.008 ( -2.563 2.464 -4.634) 5.841 5.067 ( 1.149 2.203 1.737) 3.032 5.109 ( 2.017 -4.715 -1.010) 5.227 5.189 ( -3.137 1.206 -0.643) 3.422 5.220 ( -0.136 1.767 -1.830) 2.548 5.392 ( 1.560 0.962 1.507) 2.372 5.428 ( 4.734 3.508 1.264) 6.026 5.475 ( -0.370 0.037 -2.853) 2.877 5.483 ( -0.540 0.246 -1.518) 1.630 5.623 ( -1.365 2.848 1.980) 3.727 5.638 ( 2.463 -1.763 1.826) 3.536 5.759 ( 2.245 -1.420 2.218) 3.461 5.827 ( -1.704 -3.267 2.181) 4.282 5.886 ( 0.670 -1.755 -0.991) 2.124 6.025 ( -1.248 0.543 -0.745) 1.552 6.097 ( -1.346 2.226 -2.081) 3.331 6.220 ( -8.597 -1.029 -1.536) 8.794 6.347 ( -3.673 -3.703 1.101) 5.331 6.383 ( -7.327 -0.295 1.032) 7.405 6.561 ( -4.847 2.005 -0.201) 5.250 6.595 ( 1.673 -3.181 0.533) 3.633 6.691 ( 2.615 -0.821 -0.300) 2.757 7.019 ( 0.733 0.278 0.678) 1.037 7.095 ( 0.872 -1.830 -2.256) 3.033 7.276 ( -4.631 -3.576 1.091) 5.952 7.336 ( 1.508 -3.346 -1.639) 4.019 7.449 ( 1.381 -4.384 -1.551) 4.851 7.509 ( -2.546 -2.563 5.244) 6.368 7.583 ( 2.515 -4.929 0.644) 5.571 7.680 ( 0.886 -5.641 -1.859) 6.005 7.772 ( -5.540 6.630 -0.377) 8.648 8.031 ( -1.550 3.264 -0.601) 3.663 8.152 ( 2.840 2.311 0.432) 3.687 8.312 ( 2.969 2.680 -0.106) 4.001 8.991 ( 0.608 -2.697 3.623) 4.557 9.026 ( 0.832 -0.113 -1.071) 1.361 9.121 ( 0.685 -6.894 -1.838) 7.168 9.174 ( 0.760 -3.057 -4.933) 5.853 9.503 ( -1.778 4.370 5.848) 7.514 9.529 ( 0.044 3.378 7.173) 7.929 9.781 ( -3.310 8.300 -7.439) 11.627 9.796 ( -1.204 7.323 -2.080) 7.707 10.636 ( -0.121 0.451 5.609) 5.629 10.712 ( -0.651 -1.615 -6.065) 6.310 10.880 ( 2.858 -7.646 -0.133) 8.164 11.001 ( 4.995 -8.582 -1.347) 10.020 11.119 ( 1.951 -5.410 2.397) 6.231 11.135 ( 1.530 -6.225 -0.430) 6.425 11.258 ( -3.146 -3.526 2.105) 5.173 11.341 ( -0.142 -3.467 -0.303) 3.484 11.421 ( -1.806 1.113 -0.080) 2.123 11.467 ( -0.714 0.924 -1.543) 1.935 11.706 ( -0.269 -2.786 -2.418) 3.699 11.730 ( 2.137 -3.198 2.567) 4.624 11.974 ( -1.258 -2.778 1.975) 3.633 12.043 ( 0.235 -2.657 -1.885) 3.267 12.253 ( -0.012 -6.320 1.914) 6.603 12.285 ( -0.341 -5.019 -2.025) 5.423 12.850 ( 1.201 3.032 0.435) 3.291 12.901 ( 2.942 2.557 0.108) 3.899 13.118 ( -1.354 -1.005 0.780) 1.858 13.160 ( -0.772 -1.519 -1.462) 2.245 13.870 ( -0.696 2.916 -0.263) 3.009 13.942 ( 1.246 1.388 -0.698) 1.991 14.104 ( -1.669 3.613 0.539) 4.016 14.223 ( 2.437 1.289 -0.094) 2.759 14.401 ( -3.383 0.565 2.013) 3.977 14.432 ( -1.057 0.195 1.158) 1.580 14.466 ( -0.861 0.360 -1.236) 1.548 14.538 ( 0.600 -0.813 -1.020) 1.436 15.329 ( -1.263 1.994 0.201) 2.369 15.368 ( -1.310 1.859 -1.104) 2.528 15.377 ( -0.032 1.364 0.548) 1.471 15.423 ( 0.391 1.095 0.395) 1.229 16.052 ( -4.505 1.113 -0.094) 4.641 16.096 ( -5.170 0.725 -0.064) 5.221 16.334 ( 6.358 -2.667 -0.159) 6.896 16.365 ( 4.113 -1.859 -0.163) 4.517 16.423 ( 0.103 1.358 -0.775) 1.568 16.440 ( 1.350 1.809 1.292) 2.601 16.732 ( 0.052 -5.105 0.190) 5.109 16.753 ( 0.960 -5.257 -0.319) 5.353 17.529 ( -1.373 -0.763 -0.118) 1.575 17.678 ( 5.786 -1.252 0.598) 5.950 17.707 ( 2.140 -2.328 0.349) 3.181 17.804 ( 5.422 -6.701 -1.234) 8.708 17.976 ( -11.179 6.315 0.723) 12.860 18.274 ( 0.966 1.937 -2.502) 3.308 18.332 ( -5.446 -0.573 3.197) 6.341 18.380 ( -5.337 -1.723 -0.781) 5.662 19.534 ( 0.414 2.013 0.427) 2.099 19.577 ( 2.478 1.038 -0.477) 2.728 19.768 ( 2.437 -1.750 -0.354) 3.021 19.778 ( 3.013 -1.925 0.422) 3.600 20.796 ( 1.092 -2.485 0.634) 2.788 20.807 ( 1.240 -2.335 -0.417) 2.676 21.141 ( -0.012 -0.590 -0.748) 0.953 21.145 ( 0.689 -0.640 0.578) 1.104 22.730 ( -0.385 -2.212 3.315) 4.004 22.808 ( 0.153 -5.100 -3.255) 6.052 24.231 ( -0.485 -0.981 0.218) 1.116 24.250 ( -0.111 -1.513 -0.171) 1.526 25.350 ( -0.184 1.898 2.536) 3.173 25.402 ( 0.084 0.908 -2.683) 2.834 25.926 ( 0.041 -0.577 2.554) 2.619 25.957 ( -0.486 -1.011 -2.376) 2.627 27.215 ( -0.125 -1.573 0.234) 1.595 27.230 ( 0.382 -1.099 0.149) 1.173 27.259 ( -1.954 -1.525 -0.391) 2.510 27.340 ( 1.343 -1.199 -0.332) 1.831 27.437 ( -0.576 1.361 0.379) 1.525 27.507 ( 2.012 -0.309 -0.340) 2.064 27.569 ( 0.074 0.230 1.758) 1.775 27.602 ( -0.181 0.083 -1.470) 1.484 28.167 ( 0.289 11.025 0.287) 11.032 28.189 ( 1.049 10.855 -0.408) 10.913 28.602 ( -1.637 5.464 1.799) 5.980 28.637 ( -2.073 4.676 -1.682) 5.384 29.342 ( 0.560 8.519 0.403) 8.547 29.371 ( 1.053 8.047 0.026) 8.115 29.474 ( -0.219 6.057 0.567) 6.088 29.564 ( 2.626 5.706 -1.633) 6.490 29.909 ( -1.635 -1.013 -2.634) 3.262 29.988 ( 2.262 -6.063 -0.224) 6.475 30.082 ( 0.053 -3.720 4.008) 5.469 30.111 ( -1.240 -2.611 -1.341) 3.186 30.842 ( -5.598 3.464 3.262) 7.347 30.893 ( -14.286 4.060 -0.244) 14.854 31.108 ( 5.490 0.246 -1.237) 5.633 31.438 ( 6.970 -7.162 -2.053) 10.202 32.818 ( -0.335 -7.073 1.182) 7.178 32.860 ( 0.440 -6.271 -2.167) 6.650 32.914 ( -1.841 -8.189 6.678) 10.725 33.075 ( -0.095 -11.075 -3.837) 11.722 33.524 ( 1.808 2.482 -4.543) 5.483 33.602 ( 7.570 -2.014 4.316) 8.943 33.971 ( -3.098 -6.174 -1.456) 7.060 34.005 ( -0.577 -8.441 0.981) 8.517 47.344 ( -0.099 2.200 0.129) 2.206 47.357 ( 0.215 1.838 0.064) 1.852 47.544 ( 0.043 2.317 0.025) 2.317 47.547 ( 0.123 2.210 -0.234) 2.226 97.328 ( -0.091 5.118 0.120) 5.120 97.333 ( -0.062 5.198 -0.462) 5.219 97.424 ( -1.104 6.156 3.010) 6.941 97.470 ( -1.789 5.194 -2.845) 6.186 98.735 ( -0.384 -1.296 0.713) 1.528 98.765 ( -0.072 -1.799 -0.846) 1.989 99.055 ( 3.150 -6.244 -0.283) 6.999 99.134 ( 5.565 -8.840 0.263) 10.449 ======================= Grid point 97 (45/60) ======================= q-point: ( 0.33 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 6.804 19.326 -1.108) 20.519 1.654 ( 4.885 18.099 1.004) 18.773 1.804 ( 2.471 18.633 0.400) 18.801 1.889 ( 0.648 12.979 -2.032) 13.153 2.001 ( -6.984 4.804 0.418) 8.487 2.157 ( -4.517 2.218 -1.522) 5.257 2.259 ( 4.273 9.230 1.546) 10.287 2.336 ( 4.250 0.621 1.343) 4.500 2.453 ( 1.073 0.092 -3.294) 3.466 2.549 ( -4.212 6.159 -0.384) 7.471 2.624 ( -1.443 2.240 -0.368) 2.690 2.693 ( 2.620 1.262 0.569) 2.964 2.777 ( 1.301 8.297 6.762) 10.782 2.930 ( -3.049 -0.412 -0.258) 3.088 2.952 ( -1.443 3.500 -0.033) 3.787 3.062 ( 4.142 2.605 1.074) 5.009 3.101 ( -0.439 1.957 -1.617) 2.576 3.231 ( 4.962 0.466 -4.137) 6.477 3.250 ( -1.679 -0.315 0.541) 1.792 3.466 ( -2.013 3.071 2.360) 4.365 3.536 ( 4.300 -1.572 -2.470) 5.202 3.625 ( 6.662 -1.662 -0.834) 6.917 3.658 ( -2.361 0.430 3.310) 4.088 3.695 ( 3.797 3.027 -2.357) 5.397 3.799 ( 6.894 1.421 0.328) 7.046 3.845 ( -3.656 -0.739 2.757) 4.638 3.899 ( -0.328 -0.979 0.057) 1.034 3.974 ( -1.825 -2.557 1.803) 3.623 4.005 ( 2.434 2.390 -6.734) 7.549 4.065 ( 0.103 0.148 2.230) 2.238 4.116 ( -7.552 5.171 -0.175) 9.155 4.186 ( 1.783 2.214 2.536) 3.810 4.330 ( -2.224 -3.287 -3.418) 5.238 4.425 ( -3.778 -4.119 2.562) 6.148 4.477 ( 3.509 -1.127 -7.036) 7.942 4.496 ( -0.619 -3.282 4.608) 5.691 4.524 ( 6.677 13.747 6.160) 16.478 4.579 ( 3.766 0.730 -0.141) 3.838 4.692 ( 3.488 9.336 -1.140) 10.031 4.837 ( -0.495 -1.193 -2.535) 2.845 4.902 ( -1.130 1.048 -1.651) 2.259 4.940 ( -1.664 -0.210 -0.561) 1.769 4.984 ( -1.605 2.385 -0.280) 2.888 5.072 ( -2.599 4.275 3.785) 6.274 5.090 ( 0.942 1.103 -1.448) 2.050 5.180 ( 3.601 2.661 2.520) 5.138 5.264 ( 1.844 0.763 -6.417) 6.720 5.350 ( -3.512 1.226 1.786) 4.127 5.431 ( -0.361 3.257 1.365) 3.550 5.491 ( 0.653 0.763 -1.650) 1.931 5.584 ( 5.595 1.998 -3.020) 6.664 5.628 ( 2.770 -0.818 0.999) 3.056 5.709 ( 4.064 -2.503 0.928) 4.862 5.761 ( -2.501 -1.472 0.401) 2.930 5.812 ( -0.428 -3.401 2.531) 4.261 5.887 ( -1.489 0.078 -1.557) 2.156 5.981 ( -3.319 -0.450 1.264) 3.580 6.069 ( -0.976 3.158 -0.842) 3.410 6.087 ( -2.625 -1.453 0.638) 3.068 6.229 ( -6.913 -4.443 -0.183) 8.220 6.273 ( -3.110 0.970 0.701) 3.332 6.425 ( -8.885 1.193 0.154) 8.966 6.622 ( 1.149 -0.205 0.302) 1.206 6.717 ( -0.345 0.647 -1.202) 1.408 7.031 ( -1.385 0.300 2.654) 3.009 7.091 ( -0.086 -2.007 -4.342) 4.784 7.212 ( -0.594 -2.672 3.115) 4.147 7.366 ( 1.081 -3.848 -2.603) 4.770 7.464 ( -0.080 -2.155 2.694) 3.451 7.507 ( 1.717 -2.238 -0.906) 2.963 7.612 ( 0.358 -3.522 0.964) 3.669 7.646 ( -2.411 -1.385 -0.816) 2.898 7.746 ( 1.164 0.044 1.269) 1.723 7.933 ( -5.536 -0.699 -1.460) 5.768 8.249 ( 4.486 5.991 0.442) 7.497 8.343 ( 0.494 4.274 -0.698) 4.358 9.001 ( 0.105 -3.728 3.366) 5.024 9.054 ( 1.570 0.145 0.213) 1.591 9.132 ( 0.722 -7.721 -2.492) 8.145 9.174 ( 0.242 -2.963 -5.021) 5.835 9.482 ( -1.581 5.128 6.641) 8.538 9.540 ( -0.157 3.142 5.928) 6.711 9.707 ( -2.201 8.855 -6.338) 11.110 9.756 ( -2.085 6.354 -2.690) 7.208 10.631 ( -1.211 0.300 5.297) 5.442 10.713 ( 1.663 -1.485 -6.435) 6.810 10.955 ( 4.651 -6.482 -0.611) 8.002 11.081 ( 1.855 -6.228 -0.091) 6.499 11.138 ( -1.358 -6.121 3.201) 7.040 11.165 ( 2.026 -7.051 -0.318) 7.343 11.223 ( 0.323 -4.037 1.052) 4.184 11.328 ( -1.009 -3.474 -0.282) 3.628 11.391 ( -1.252 0.792 0.251) 1.503 11.445 ( -1.005 1.829 -1.837) 2.780 11.712 ( 1.241 -4.285 -1.462) 4.694 11.757 ( 0.065 -4.885 1.515) 5.115 11.962 ( -0.440 -3.034 2.714) 4.094 12.040 ( -0.122 -3.698 -2.410) 4.416 12.251 ( -0.475 -5.906 1.344) 6.076 12.277 ( -0.108 -5.029 -1.613) 5.283 12.895 ( 3.051 2.338 0.557) 3.884 12.955 ( 2.109 1.764 0.241) 2.760 13.088 ( -1.133 -0.087 -0.334) 1.185 13.135 ( -1.925 -0.439 0.136) 1.979 13.867 ( 0.369 2.755 -0.569) 2.837 13.928 ( -1.874 2.246 -1.449) 3.264 14.112 ( 1.791 2.264 0.909) 3.027 14.237 ( -1.131 0.654 -1.677) 2.126 14.353 ( -1.292 1.267 3.899) 4.298 14.414 ( -0.916 0.210 0.961) 1.344 14.464 ( 0.843 1.039 -0.983) 1.660 14.531 ( -1.004 -0.488 -1.411) 1.799 15.309 ( -0.770 2.296 0.164) 2.428 15.334 ( -1.347 2.026 -0.927) 2.603 15.386 ( 0.382 1.580 0.705) 1.771 15.422 ( -0.469 1.340 0.025) 1.420 15.985 ( -2.344 1.060 -0.004) 2.573 16.010 ( -3.326 0.490 -0.222) 3.369 16.388 ( 0.432 1.415 0.366) 1.524 16.437 ( 0.775 1.100 -0.431) 1.413 16.455 ( 4.263 -3.592 -0.431) 5.591 16.478 ( 2.122 -2.120 0.946) 3.145 16.737 ( 0.356 -5.870 0.625) 5.914 16.768 ( 0.647 -6.199 -0.907) 6.298 17.534 ( 2.006 0.947 -0.017) 2.219 17.750 ( -3.159 3.226 -0.609) 4.556 17.777 ( -0.987 1.684 1.893) 2.720 17.814 ( 4.685 -1.206 -0.104) 4.839 17.926 ( 7.323 -4.078 -1.535) 8.521 18.201 ( -8.063 0.459 1.858) 8.287 18.232 ( -4.263 -0.642 -1.343) 4.516 18.274 ( -4.876 -2.172 -0.003) 5.338 19.548 ( 0.717 1.287 1.555) 2.142 19.613 ( 1.215 0.023 -1.644) 2.044 19.822 ( 2.659 -2.174 -0.258) 3.445 19.834 ( 2.210 -2.416 0.336) 3.291 20.820 ( 1.048 -2.635 0.652) 2.910 20.832 ( 1.208 -2.427 -0.414) 2.742 21.143 ( 0.376 -0.478 -0.403) 0.729 21.155 ( 0.228 -0.723 0.184) 0.780 22.730 ( -0.266 -1.955 3.066) 3.646 22.803 ( -0.013 -4.486 -3.080) 5.441 24.226 ( -0.062 -0.968 0.149) 0.981 24.243 ( -0.528 -1.442 -0.109) 1.540 25.351 ( -0.215 1.758 2.523) 3.082 25.400 ( 0.237 0.870 -2.480) 2.638 25.926 ( -0.467 -0.807 2.003) 2.210 25.947 ( -0.022 -0.987 -1.933) 2.171 27.212 ( -0.330 -2.172 0.112) 2.200 27.226 ( -1.036 -0.516 -0.121) 1.164 27.245 ( 0.872 -1.318 0.470) 1.649 27.345 ( -0.636 -0.314 -2.123) 2.238 27.446 ( 1.272 1.143 2.352) 2.908 27.541 ( 1.132 -0.644 -0.209) 1.319 27.571 ( 0.198 0.550 -0.062) 0.588 27.592 ( -0.608 -0.590 -0.453) 0.961 28.178 ( 0.707 11.456 0.564) 11.491 28.206 ( 0.690 11.217 -0.728) 11.262 28.571 ( -1.730 6.292 1.381) 6.670 28.590 ( -1.983 6.540 -1.330) 6.962 29.361 ( 1.272 8.503 -0.130) 8.599 29.402 ( 1.551 6.651 -0.547) 6.852 29.478 ( 1.008 5.114 1.844) 5.529 29.618 ( 2.272 4.841 -0.804) 5.408 29.868 ( -1.327 -0.742 -4.017) 4.295 29.974 ( -3.563 -3.364 0.608) 4.938 30.088 ( 0.056 -3.503 3.091) 4.672 30.121 ( 1.862 -4.684 -0.374) 5.054 30.682 ( -6.656 8.392 1.319) 10.792 30.748 ( -4.619 5.319 0.368) 7.054 31.226 ( 6.585 -1.331 0.007) 6.718 31.472 ( -2.225 -5.894 -2.160) 6.659 32.810 ( -0.675 -6.962 1.415) 7.136 32.840 ( -1.338 -5.508 0.077) 5.668 32.931 ( 1.798 -8.932 2.902) 9.562 33.065 ( -0.426 -10.362 -3.329) 10.892 33.594 ( 5.327 -1.489 -2.095) 5.915 33.740 ( 4.779 -7.191 4.716) 9.839 33.884 ( -3.586 -4.167 -4.561) 7.144 33.991 ( -1.969 -8.331 1.769) 8.742 47.346 ( 0.255 2.169 0.083) 2.186 47.358 ( -0.150 1.864 0.111) 1.873 47.545 ( 0.042 2.293 0.079) 2.295 47.549 ( 0.114 2.164 -0.283) 2.186 97.325 ( -0.032 5.294 -0.209) 5.298 97.332 ( -0.115 4.925 0.006) 4.927 97.404 ( -1.190 6.840 2.025) 7.232 97.435 ( -1.143 6.319 -1.835) 6.678 98.735 ( 0.098 -1.243 0.906) 1.541 98.762 ( -0.050 -1.591 -0.931) 1.844 99.137 ( 4.644 -8.697 -0.165) 9.860 99.219 ( 2.545 -11.885 -0.036) 12.154 ======================= Grid point 98 (46/60) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -1.506 17.196 4.749) 17.903 1.731 ( -6.553 18.647 3.684) 20.105 1.820 ( 11.877 13.285 -5.790) 18.737 1.869 ( -2.021 13.240 -4.747) 14.210 1.989 ( 5.983 7.033 -0.568) 9.251 2.055 ( -4.743 3.950 -5.784) 8.459 2.324 ( -2.035 5.609 7.437) 9.535 2.388 ( 1.855 8.429 3.025) 9.146 2.451 ( -0.503 1.629 0.688) 1.839 2.468 ( -5.380 4.996 -1.615) 7.517 2.638 ( 4.264 -1.285 -1.253) 4.627 2.675 ( -2.124 -2.375 -2.870) 4.288 2.806 ( 1.380 6.423 5.417) 8.515 2.897 ( -0.466 -0.131 -0.839) 0.969 2.978 ( 0.448 5.284 1.373) 5.478 3.038 ( 2.024 7.583 0.235) 7.852 3.127 ( 0.544 -2.079 -0.685) 2.255 3.213 ( -2.295 -1.138 -4.848) 5.483 3.356 ( -8.798 -0.115 3.103) 9.330 3.396 ( 10.258 -5.486 -1.784) 11.769 3.614 ( 2.480 -0.433 2.398) 3.477 3.667 ( 0.675 2.019 2.157) 3.031 3.695 ( -4.042 1.946 -1.478) 4.723 3.737 ( 0.123 -1.705 -4.470) 4.786 3.766 ( -1.341 -0.495 3.552) 3.829 3.856 ( -1.444 -0.261 1.285) 1.950 3.896 ( -2.107 -0.598 -0.646) 2.284 3.938 ( 1.003 -0.392 -1.479) 1.829 3.982 ( -0.204 2.190 3.377) 4.030 4.046 ( -1.700 -0.296 -0.379) 1.767 4.131 ( 4.404 -0.826 0.304) 4.491 4.179 ( -0.165 -0.604 -5.350) 5.386 4.322 ( 1.427 -1.083 1.140) 2.123 4.358 ( -0.708 -1.094 -0.784) 1.520 4.438 ( -4.987 -0.175 4.399) 6.652 4.518 ( 2.095 0.872 -2.704) 3.530 4.661 ( 1.288 3.332 2.804) 4.541 4.678 ( 2.274 6.662 4.056) 8.124 4.727 ( 1.492 5.416 -1.748) 5.883 4.816 ( -0.165 6.561 -7.386) 9.881 4.870 ( -2.112 2.063 2.771) 4.049 4.918 ( -0.087 2.628 -1.427) 2.992 4.966 ( 1.243 2.444 1.063) 2.941 5.013 ( -1.044 1.271 -0.887) 1.869 5.115 ( -1.208 4.118 4.047) 5.899 5.213 ( -1.604 4.964 -3.568) 6.320 5.289 ( 3.500 0.861 0.119) 3.606 5.330 ( -0.068 0.051 -1.583) 1.585 5.438 ( -2.143 1.553 1.995) 3.314 5.486 ( 2.046 1.361 -1.317) 2.788 5.623 ( -4.400 -0.611 -0.791) 4.512 5.637 ( 2.000 -0.908 -1.455) 2.635 5.744 ( 0.743 0.844 1.317) 1.731 5.783 ( -2.932 1.258 -3.004) 4.382 5.799 ( 0.352 -4.615 2.295) 5.166 5.837 ( 2.911 -4.895 -1.106) 5.801 5.973 ( 0.754 1.153 2.186) 2.584 6.030 ( 0.515 -0.034 -1.987) 2.053 6.126 ( 1.547 -2.722 3.473) 4.676 6.162 ( 1.401 -0.565 2.208) 2.675 6.245 ( -8.452 2.631 -0.339) 8.859 6.290 ( 4.958 0.400 -1.980) 5.354 6.648 ( 1.321 0.970 1.133) 1.992 6.686 ( -1.710 1.948 -1.898) 3.212 7.009 ( -0.455 -0.185 2.665) 2.710 7.075 ( 0.300 -0.376 -3.697) 3.729 7.256 ( 2.469 -3.798 4.681) 6.514 7.343 ( -2.648 -4.153 -3.656) 6.134 7.476 ( -0.034 -1.352 2.186) 2.570 7.528 ( 1.248 -1.867 -2.449) 3.323 7.598 ( -1.644 -1.703 2.038) 3.123 7.632 ( 0.659 -2.140 -0.871) 2.402 7.782 ( 0.556 0.049 3.204) 3.252 7.856 ( -0.163 -2.966 -3.447) 4.550 8.286 ( -1.448 6.201 2.804) 6.958 8.352 ( 1.336 5.525 -3.113) 6.481 9.003 ( -0.752 -4.604 3.978) 6.131 9.079 ( 0.833 -0.310 0.585) 1.064 9.134 ( 0.182 -7.976 -4.284) 9.055 9.169 ( 0.245 -1.696 -4.306) 4.635 9.466 ( -1.525 5.993 7.782) 9.940 9.545 ( -0.447 2.896 4.656) 5.502 9.680 ( -0.052 8.192 -3.589) 8.944 9.734 ( 1.396 6.104 -4.913) 7.959 10.615 ( -1.413 0.179 4.674) 4.886 10.742 ( 2.596 -1.195 -7.646) 8.163 11.021 ( -4.350 -5.113 2.900) 7.313 11.048 ( 3.049 -5.962 -0.344) 6.705 11.139 ( -0.763 -5.864 2.985) 6.624 11.188 ( 0.838 -6.201 -1.661) 6.474 11.256 ( 0.455 -5.238 2.218) 5.706 11.297 ( -0.673 -5.142 -1.310) 5.348 11.387 ( 0.762 2.100 0.746) 2.356 11.428 ( -0.301 1.520 -2.764) 3.169 11.738 ( -1.715 -4.505 0.416) 4.838 11.742 ( 1.505 -5.847 0.026) 6.037 11.965 ( 0.184 -3.835 3.143) 4.962 12.032 ( -0.084 -3.908 -2.979) 4.915 12.245 ( -0.297 -5.737 1.237) 5.877 12.275 ( 0.234 -4.932 -1.459) 5.148 12.951 ( 1.486 1.337 0.640) 2.099 12.956 ( -1.491 1.513 0.256) 2.139 13.091 ( -1.889 0.738 0.233) 2.041 13.101 ( 2.155 0.249 -0.450) 2.216 13.870 ( -0.735 2.678 0.598) 2.841 13.902 ( 0.468 2.392 -2.484) 3.481 14.147 ( 0.466 1.387 2.190) 2.634 14.196 ( -1.110 1.673 -2.760) 3.414 14.370 ( 1.591 1.157 3.967) 4.428 14.405 ( -0.037 0.300 0.268) 0.403 14.480 ( 0.152 0.385 -0.237) 0.477 14.503 ( -0.927 0.185 -1.986) 2.199 15.301 ( -0.262 2.495 0.518) 2.562 15.319 ( 0.175 2.096 -1.146) 2.395 15.395 ( 0.308 1.402 1.111) 1.815 15.412 ( -0.277 1.590 -0.515) 1.694 15.965 ( 0.123 1.108 0.332) 1.163 15.974 ( -0.191 0.416 -0.516) 0.689 16.403 ( 0.928 1.892 1.207) 2.428 16.429 ( -0.867 1.885 -1.175) 2.384 16.492 ( -0.756 -3.511 1.073) 3.748 16.513 ( 0.923 -4.321 -0.874) 4.504 16.744 ( 0.078 -6.328 1.147) 6.432 16.771 ( -0.217 -6.582 -1.276) 6.708 17.605 ( 0.392 3.437 0.517) 3.498 17.616 ( -0.400 3.893 -0.531) 3.950 17.840 ( 1.332 -0.023 1.282) 1.849 17.862 ( -1.145 -0.563 -0.432) 1.347 18.047 ( -7.111 -0.895 0.360) 7.176 18.079 ( 7.823 -1.171 -1.728) 8.096 18.176 ( -0.982 -2.234 1.697) 2.972 18.208 ( 0.075 -3.148 -1.041) 3.316 19.563 ( 0.306 1.030 2.404) 2.633 19.617 ( -0.275 -0.213 -2.506) 2.530 19.851 ( -0.234 -2.215 0.214) 2.238 19.854 ( 0.181 -2.688 -0.090) 2.695 20.831 ( -0.070 -2.682 0.707) 2.775 20.844 ( 0.056 -2.493 -0.474) 2.538 21.151 ( 0.419 -0.554 -0.023) 0.696 21.153 ( -0.416 -0.590 -0.183) 0.745 22.731 ( -0.219 -2.006 3.032) 3.643 22.798 ( 0.163 -3.940 -3.031) 4.973 24.228 ( 0.083 -1.195 0.262) 1.227 24.234 ( -0.061 -1.205 -0.244) 1.231 25.350 ( -0.322 1.698 2.392) 2.951 25.403 ( 0.432 0.746 -2.369) 2.521 25.917 ( -0.804 -0.585 1.591) 1.876 25.951 ( 0.724 -1.249 -1.521) 2.097 27.208 ( 0.078 -2.052 0.188) 2.062 27.214 ( -0.163 -1.193 -0.434) 1.280 27.269 ( 1.104 -0.740 1.844) 2.274 27.316 ( -1.554 0.276 -2.776) 3.193 27.483 ( 1.766 0.835 2.996) 3.577 27.532 ( -1.388 0.140 -1.720) 2.215 27.576 ( -1.088 -1.103 0.464) 1.617 27.589 ( 1.200 0.084 -0.549) 1.323 28.188 ( -0.091 11.682 0.978) 11.723 28.212 ( 0.117 11.507 -1.180) 11.568 28.550 ( -0.460 7.045 0.998) 7.130 28.571 ( 0.411 6.847 -0.925) 6.921 29.383 ( 0.518 7.918 0.536) 7.953 29.401 ( -0.935 6.479 -1.335) 6.681 29.522 ( 1.897 4.488 4.354) 6.534 29.619 ( -1.393 4.147 -4.709) 6.428 29.883 ( 3.823 -1.812 -0.082) 4.232 29.893 ( -4.019 -0.141 -1.109) 4.171 30.095 ( -0.113 -2.994 3.352) 4.496 30.143 ( 0.184 -5.361 -1.471) 5.562 30.634 ( 0.857 8.540 3.247) 9.176 30.689 ( -1.124 6.138 -1.317) 6.378 31.331 ( 0.356 -3.693 2.080) 4.254 31.403 ( 0.003 -2.866 -4.276) 5.148 32.802 ( -0.484 -6.033 1.869) 6.334 32.823 ( -0.474 -5.814 0.640) 5.868 32.968 ( 1.349 -10.363 2.454) 10.734 33.048 ( -0.467 -9.436 -4.171) 10.328 33.689 ( 1.830 -3.767 1.131) 4.338 33.721 ( -2.564 -6.623 -1.321) 7.224 33.911 ( 3.935 -5.925 0.888) 7.168 33.933 ( -3.150 -7.653 -0.681) 8.304 47.352 ( -0.345 2.016 0.115) 2.049 47.353 ( 0.333 2.017 0.075) 2.046 47.546 ( -0.020 2.283 0.113) 2.286 47.550 ( 0.033 2.146 -0.308) 2.168 97.327 ( -0.179 5.059 0.050) 5.062 97.329 ( 0.255 5.123 -0.244) 5.136 97.391 ( -0.484 7.099 1.629) 7.300 97.425 ( 0.451 6.673 -1.460) 6.846 98.738 ( -0.002 -1.278 0.985) 1.614 98.760 ( 0.042 -1.602 -1.011) 1.895 99.204 ( 1.038 -10.498 0.874) 10.585 99.224 ( -1.135 -12.094 -0.976) 12.186 ======================= Grid point 99 (47/60) ======================= q-point: (-0.33 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -4.971 21.800 -0.853) 22.376 1.659 ( -3.057 21.205 4.247) 21.841 1.773 ( -6.860 11.138 -4.341) 13.783 1.972 ( -0.496 10.077 -3.942) 10.832 2.057 ( 9.821 7.033 -1.959) 12.237 2.139 ( 4.505 6.872 -0.499) 8.232 2.233 ( -3.513 4.573 2.157) 6.157 2.324 ( -6.410 3.099 1.179) 7.217 2.423 ( 0.687 4.121 1.169) 4.339 2.496 ( 3.896 5.620 2.339) 7.227 2.604 ( -2.708 -1.215 -0.895) 3.100 2.753 ( 1.773 2.253 -1.571) 3.269 2.806 ( -2.615 2.244 5.069) 6.129 2.930 ( 3.442 2.459 2.719) 5.029 2.962 ( 0.256 8.999 -3.262) 9.575 3.050 ( -10.146 0.118 -0.666) 10.168 3.127 ( 2.313 1.506 -3.013) 4.086 3.179 ( 4.472 -0.366 2.180) 4.988 3.292 ( 2.515 -0.757 -4.836) 5.503 3.475 ( -3.110 0.058 1.048) 3.282 3.529 ( -9.492 1.385 0.318) 9.597 3.586 ( -2.880 -0.057 1.994) 3.503 3.667 ( -3.167 2.044 0.599) 3.817 3.720 ( -6.604 -0.937 2.532) 7.135 3.762 ( 5.911 -0.828 -4.591) 7.530 3.812 ( -2.393 7.618 6.871) 10.534 3.875 ( -1.900 -2.101 0.875) 2.964 3.938 ( 3.620 -1.648 -0.097) 3.979 4.022 ( 1.285 -2.849 -2.094) 3.762 4.075 ( 3.984 4.105 -2.139) 6.107 4.188 ( 0.222 4.427 -2.144) 4.924 4.235 ( 3.550 -0.942 2.236) 4.300 4.267 ( -2.967 -1.239 -1.416) 3.513 4.352 ( -3.176 -4.294 3.662) 6.476 4.435 ( 2.852 1.613 1.126) 3.465 4.504 ( -2.548 4.625 4.379) 6.859 4.592 ( -2.226 0.766 -3.431) 4.161 4.668 ( -4.472 8.257 -6.374) 11.349 4.730 ( 0.351 -0.406 3.923) 3.960 4.784 ( -4.960 4.541 -5.217) 8.511 4.867 ( 2.881 4.582 -0.126) 5.414 4.947 ( 3.578 3.732 3.429) 6.204 5.012 ( 1.960 -4.774 -3.894) 6.465 5.057 ( -0.451 2.098 1.456) 2.593 5.100 ( 4.815 2.602 2.644) 6.078 5.176 ( -2.861 2.726 -0.291) 3.962 5.237 ( -4.801 -1.256 -2.382) 5.504 5.382 ( 2.420 1.632 -0.116) 2.921 5.388 ( -1.937 1.492 1.724) 2.992 5.508 ( -0.754 2.499 -1.282) 2.908 5.539 ( -4.937 1.010 0.328) 5.050 5.633 ( -1.787 -0.772 -0.337) 1.975 5.722 ( -2.046 -2.241 0.516) 3.078 5.752 ( 1.404 -1.502 1.108) 2.335 5.845 ( 2.690 -2.322 -0.086) 3.555 5.866 ( -1.322 -1.312 0.414) 1.908 6.020 ( 6.800 1.360 -3.011) 7.560 6.092 ( 0.817 0.135 -1.531) 1.741 6.120 ( -2.354 1.420 -1.690) 3.227 6.189 ( 7.227 -3.528 3.295) 8.691 6.245 ( 5.032 -0.918 2.262) 5.593 6.431 ( 8.069 1.137 -0.286) 8.154 6.648 ( -0.826 -0.609 -0.723) 1.255 6.684 ( 0.817 1.062 0.364) 1.389 7.021 ( 0.601 -1.233 2.388) 2.754 7.094 ( 1.090 -0.239 -3.246) 3.432 7.274 ( -0.544 -1.698 -0.430) 1.834 7.303 ( 0.015 -5.171 0.973) 5.262 7.453 ( -2.596 -1.964 1.523) 3.594 7.556 ( 2.808 -2.654 -2.474) 4.588 7.595 ( 0.438 -2.094 1.076) 2.395 7.631 ( -0.999 -2.612 1.104) 3.007 7.754 ( -1.493 0.718 0.741) 1.815 7.936 ( 6.429 -1.006 -1.644) 6.712 8.227 ( -4.640 5.527 1.462) 7.363 8.360 ( -0.563 4.855 -1.388) 5.081 8.985 ( -1.750 -4.144 3.072) 5.447 9.085 ( -0.408 -1.429 2.245) 2.692 9.132 ( 0.720 -5.768 -5.851) 8.248 9.164 ( -0.084 -2.652 -4.033) 4.827 9.458 ( -0.670 5.973 8.457) 10.375 9.538 ( -0.997 2.858 5.134) 5.960 9.696 ( 2.672 8.711 -4.919) 10.355 9.784 ( 3.807 5.574 -4.241) 7.972 10.600 ( -0.762 0.418 3.895) 3.991 10.774 ( 1.849 0.105 -8.022) 8.233 10.926 ( -4.623 -8.544 2.508) 10.033 11.075 ( -2.759 -5.768 0.995) 6.471 11.116 ( -1.285 -6.571 1.999) 6.987 11.194 ( -0.791 -6.687 -0.855) 6.787 11.227 ( 0.047 -4.025 1.130) 4.181 11.320 ( 0.929 -3.576 0.192) 3.700 11.413 ( 1.594 1.159 0.571) 2.052 11.433 ( 1.734 1.453 -2.747) 3.559 11.694 ( -2.408 -2.883 0.050) 3.757 11.767 ( 0.480 -6.051 0.532) 6.094 11.980 ( 0.680 -4.520 2.915) 5.421 12.026 ( 0.101 -2.588 -2.900) 3.889 12.243 ( -0.183 -5.921 1.261) 6.056 12.282 ( 0.706 -4.938 -1.368) 5.172 12.900 ( -3.100 2.393 0.280) 3.926 12.953 ( -2.075 1.518 0.334) 2.593 13.079 ( 0.760 -0.110 0.180) 0.789 13.152 ( 2.562 -0.260 -0.815) 2.701 13.854 ( -0.488 3.030 0.154) 3.073 13.925 ( 1.483 1.349 -1.095) 2.284 14.117 ( -1.991 2.998 0.564) 3.643 14.217 ( 1.668 1.435 0.046) 2.201 14.400 ( 1.095 0.629 0.998) 1.609 14.428 ( 1.957 0.316 0.661) 2.090 14.455 ( -1.162 1.104 -0.753) 1.771 14.505 ( 0.423 -0.895 -0.526) 1.121 15.303 ( 0.596 2.541 0.388) 2.639 15.334 ( 1.288 2.028 -0.705) 2.503 15.396 ( -0.302 1.444 0.040) 1.476 15.416 ( 0.565 1.272 0.356) 1.436 15.986 ( 2.258 0.954 -0.058) 2.452 16.006 ( 3.329 0.769 0.008) 3.417 16.404 ( -1.038 1.516 -0.739) 1.980 16.422 ( -0.642 0.695 0.593) 1.116 16.448 ( -3.000 -2.363 0.186) 3.823 16.493 ( -2.574 -3.419 -0.119) 4.281 16.743 ( -0.478 -6.087 0.888) 6.170 16.758 ( -0.716 -5.781 -0.861) 5.889 17.535 ( -2.043 0.926 -0.055) 2.244 17.742 ( 3.464 3.047 0.126) 4.615 17.798 ( -0.689 0.737 0.469) 1.112 17.812 ( -2.903 0.081 0.227) 2.913 17.905 ( -6.786 -3.655 -0.578) 7.730 18.198 ( 2.856 0.111 1.515) 3.235 18.241 ( 8.457 -0.753 -1.401) 8.606 18.276 ( 4.933 -2.266 -0.148) 5.430 19.563 ( -0.760 1.249 1.605) 2.171 19.599 ( -1.113 -0.033 -1.741) 2.067 19.819 ( -2.742 -2.018 -0.038) 3.405 19.835 ( -2.237 -2.483 0.214) 3.349 20.819 ( -1.203 -2.519 0.628) 2.861 20.833 ( -1.078 -2.615 -0.411) 2.858 21.141 ( -0.702 -0.384 -0.209) 0.827 21.157 ( 0.091 -0.737 0.034) 0.743 22.732 ( -0.269 -2.318 3.217) 3.974 22.799 ( 0.481 -3.978 -3.123) 5.080 24.227 ( 0.093 -1.069 0.056) 1.074 24.241 ( 0.513 -1.412 -0.060) 1.503 25.348 ( -0.299 1.792 2.304) 2.934 25.407 ( 0.412 0.667 -2.484) 2.605 25.906 ( -0.480 -0.111 1.592) 1.667 25.965 ( 0.896 -1.569 -1.388) 2.278 27.215 ( 0.280 -1.637 -0.156) 1.668 27.219 ( 0.995 -1.895 0.319) 2.164 27.266 ( -1.379 0.315 -0.850) 1.650 27.306 ( 0.764 -0.684 0.689) 1.235 27.497 ( -1.639 0.367 -2.160) 2.736 27.517 ( 0.955 0.138 2.520) 2.698 27.550 ( -1.518 -0.280 0.501) 1.623 27.606 ( 0.609 -0.133 -0.802) 1.015 28.179 ( -0.787 11.558 0.558) 11.598 28.206 ( -0.580 11.136 -0.730) 11.175 28.561 ( 1.367 7.039 1.169) 7.265 28.598 ( 2.274 5.863 -1.032) 6.373 29.364 ( -1.320 8.091 -0.472) 8.212 29.388 ( -1.170 7.478 0.540) 7.588 29.508 ( -3.175 3.820 0.278) 4.975 29.617 ( 1.603 4.126 -1.220) 4.592 29.832 ( -1.808 1.388 -1.121) 2.540 29.976 ( 3.918 -3.803 0.291) 5.468 30.098 ( -0.025 -2.512 1.641) 3.000 30.131 ( -0.367 -5.036 -0.501) 5.075 30.690 ( 3.096 5.280 1.448) 6.289 30.729 ( 6.599 7.898 0.850) 10.327 31.235 ( -6.151 -1.069 -0.425) 6.257 31.469 ( 2.630 -6.346 -2.039) 7.166 32.797 ( -0.410 -5.525 2.035) 5.902 32.826 ( 0.659 -6.281 0.943) 6.385 32.981 ( -0.794 -11.208 2.058) 11.423 33.044 ( 1.259 -8.618 -4.061) 9.610 33.584 ( -6.455 -2.445 -1.183) 7.004 33.783 ( 0.230 -3.509 5.277) 6.341 33.837 ( -2.188 -7.732 -4.727) 9.323 34.005 ( 3.781 -7.677 0.408) 8.567 47.346 ( -0.281 2.185 0.116) 2.206 47.358 ( 0.145 1.841 0.067) 1.848 47.545 ( -0.064 2.301 0.081) 2.303 47.549 ( -0.059 2.165 -0.273) 2.183 97.322 ( -0.105 5.136 -0.008) 5.137 97.337 ( 0.391 5.051 -0.385) 5.080 97.392 ( 0.323 6.992 1.882) 7.248 97.447 ( 2.001 6.095 -1.612) 6.614 98.739 ( -0.043 -1.338 0.955) 1.644 98.759 ( 0.048 -1.575 -1.058) 1.898 99.139 ( -5.279 -9.229 -0.325) 10.637 99.213 ( -2.120 -11.059 0.384) 11.267 ======================= Grid point 100 (48/60) ======================= q-point: (-0.17 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 2.105 22.162 -1.020) 22.285 1.616 ( -3.352 24.831 1.670) 25.112 1.672 ( -0.988 14.060 -2.904) 14.391 1.950 ( -1.084 14.318 -5.410) 15.344 2.061 ( -4.904 6.910 -2.007) 8.707 2.104 ( -3.372 3.051 7.172) 8.492 2.275 ( 0.155 0.336 -1.446) 1.493 2.343 ( 5.179 5.256 0.056) 7.379 2.454 ( 1.783 4.320 1.541) 4.921 2.534 ( -2.223 1.515 -0.640) 2.765 2.606 ( 7.324 6.894 1.547) 10.177 2.693 ( -5.857 3.122 4.305) 7.911 2.768 ( -1.194 2.076 -2.282) 3.309 2.883 ( -2.225 4.738 -0.585) 5.267 2.944 ( -3.374 5.873 -1.514) 6.940 3.009 ( -0.592 2.816 1.777) 3.382 3.147 ( 1.105 -1.591 -1.777) 2.628 3.244 ( 2.368 0.139 -2.290) 3.297 3.253 ( -10.556 2.859 -1.917) 11.103 3.383 ( -3.511 3.928 2.508) 5.835 3.445 ( 2.716 8.545 0.397) 8.975 3.564 ( -1.447 1.466 2.298) 3.086 3.619 ( -1.615 -3.592 0.321) 3.951 3.651 ( 2.195 3.218 -1.530) 4.185 3.779 ( -1.365 8.323 5.347) 9.986 3.822 ( 0.932 4.168 -1.615) 4.566 3.913 ( 3.685 -2.785 -1.405) 4.829 3.990 ( -2.189 3.147 0.711) 3.899 4.031 ( 2.255 -4.870 0.228) 5.372 4.040 ( -3.822 4.192 1.895) 5.981 4.165 ( -1.320 4.633 -0.796) 4.883 4.240 ( -2.310 -6.376 -2.434) 7.205 4.262 ( -1.239 -2.494 1.179) 3.025 4.337 ( 0.237 -2.832 1.576) 3.250 4.419 ( 0.817 11.798 2.880) 12.172 4.531 ( -1.633 -1.938 -1.820) 3.120 4.570 ( -0.924 8.254 -3.730) 9.105 4.602 ( 2.657 -1.478 -1.285) 3.301 4.689 ( -1.998 2.013 -2.899) 4.055 4.791 ( 4.039 -0.884 5.915) 7.217 4.905 ( 1.371 2.404 0.479) 2.808 4.943 ( -5.339 2.872 -2.076) 6.408 5.019 ( 1.421 -5.414 -3.601) 6.656 5.082 ( -0.935 1.143 -1.026) 1.798 5.127 ( 0.559 -4.800 1.442) 5.043 5.161 ( -1.139 1.072 -0.077) 1.566 5.201 ( 3.124 2.782 -1.758) 4.538 5.368 ( -0.814 1.496 2.905) 3.368 5.410 ( -1.183 -0.160 3.521) 3.718 5.443 ( -1.983 0.901 -0.971) 2.385 5.492 ( -0.461 0.487 -3.240) 3.308 5.616 ( 0.533 4.276 2.935) 5.214 5.698 ( -0.867 -2.774 -2.695) 3.963 5.751 ( -2.325 -0.864 3.403) 4.211 5.834 ( -1.034 -3.349 1.337) 3.751 5.887 ( 1.020 -2.086 -1.001) 2.528 6.068 ( -0.691 1.615 -1.335) 2.207 6.099 ( 1.529 0.607 -4.888) 5.158 6.199 ( 7.997 -0.558 0.655) 8.044 6.335 ( 4.993 -1.445 2.469) 5.755 6.368 ( 6.971 -2.575 1.230) 7.533 6.549 ( 3.631 2.747 0.314) 4.564 6.635 ( -0.510 -4.240 -1.335) 4.474 6.680 ( -1.360 -0.496 0.163) 1.457 7.015 ( -0.930 -0.527 0.991) 1.458 7.089 ( -0.465 -0.614 -1.822) 1.978 7.303 ( 1.138 -3.313 0.958) 3.632 7.311 ( 1.460 -4.721 -1.755) 5.244 7.423 ( 0.785 -2.345 1.278) 2.783 7.571 ( -3.476 -5.416 1.621) 6.636 7.598 ( -0.952 -3.349 0.534) 3.523 7.628 ( 2.143 -4.768 -0.962) 5.315 7.777 ( 4.765 6.204 -0.492) 7.838 8.035 ( 0.716 3.741 -0.915) 3.917 8.141 ( -1.516 1.614 1.131) 2.486 8.319 ( -3.435 2.744 -0.511) 4.426 8.959 ( -1.098 -2.605 2.746) 3.941 9.075 ( -1.241 -1.941 1.609) 2.810 9.127 ( -0.352 -3.473 -5.396) 6.427 9.157 ( 0.526 -4.490 -3.988) 6.029 9.473 ( 0.547 5.250 8.619) 10.107 9.533 ( -0.621 3.083 5.851) 6.642 9.751 ( 3.435 9.399 -4.673) 11.044 9.839 ( 2.388 5.503 -5.186) 7.930 10.604 ( 0.307 0.487 4.031) 4.072 10.768 ( -0.946 0.917 -6.166) 6.305 10.883 ( 0.262 -10.781 -0.758) 10.811 10.977 ( -6.285 -8.111 1.171) 10.328 11.094 ( -1.139 -5.508 2.375) 6.105 11.152 ( -2.606 -6.048 -0.325) 6.593 11.273 ( 3.013 -3.300 1.209) 4.629 11.324 ( -0.405 -3.301 0.700) 3.399 11.445 ( 1.677 -0.258 -1.137) 2.043 11.468 ( 1.503 1.864 -2.188) 3.244 11.659 ( -0.922 -1.520 1.671) 2.440 11.760 ( -1.158 -4.435 -0.278) 4.593 11.997 ( 0.434 -4.663 2.046) 5.111 12.028 ( 0.548 -1.237 -2.431) 2.782 12.243 ( -0.113 -6.076 1.768) 6.329 12.292 ( 0.532 -5.049 -1.684) 5.349 12.854 ( -1.397 2.992 0.225) 3.309 12.900 ( -2.938 2.434 0.127) 3.818 13.101 ( 1.131 -1.319 1.009) 2.010 13.184 ( 0.932 -1.085 -2.109) 2.548 13.860 ( 1.137 2.957 0.380) 3.191 13.930 ( -1.133 1.051 0.127) 1.550 14.110 ( 1.411 4.001 0.124) 4.245 14.219 ( -1.663 1.955 0.116) 2.569 14.423 ( 0.915 0.274 1.259) 1.580 14.454 ( 1.192 -0.245 -0.275) 1.248 14.466 ( 1.892 0.977 -1.467) 2.586 14.507 ( -0.328 -1.364 0.616) 1.532 15.326 ( 1.468 2.174 0.395) 2.653 15.359 ( 1.157 2.042 -0.170) 2.353 15.388 ( -0.248 1.273 -0.506) 1.392 15.423 ( -0.123 0.877 0.427) 0.983 16.052 ( 4.596 1.089 -0.125) 4.724 16.091 ( 5.066 0.970 0.206) 5.162 16.332 ( -6.050 -2.650 -0.072) 6.605 16.369 ( -4.103 -1.777 -0.380) 4.488 16.412 ( -1.348 1.720 0.238) 2.198 16.461 ( -0.456 1.003 -0.360) 1.159 16.730 ( -0.609 -5.373 0.394) 5.421 16.748 ( -0.334 -4.895 -0.078) 4.907 17.528 ( 1.266 -0.767 -0.050) 1.481 17.682 ( -6.013 -1.219 0.273) 6.142 17.711 ( -1.898 -2.523 0.316) 3.173 17.790 ( -4.902 -6.114 -0.531) 7.855 17.988 ( 11.463 5.824 -0.038) 12.857 18.239 ( 0.010 2.447 0.414) 2.482 18.358 ( 3.114 -1.501 1.274) 3.684 18.382 ( 5.928 -1.236 -1.392) 6.214 19.545 ( -0.994 1.908 -0.076) 2.153 19.568 ( -1.869 1.054 -0.061) 2.147 19.762 ( -2.614 -1.671 0.132) 3.106 19.781 ( -2.855 -1.898 0.101) 3.430 20.795 ( -1.213 -2.349 0.591) 2.709 20.808 ( -1.167 -2.558 -0.405) 2.840 21.130 ( -0.330 -0.251 0.192) 0.457 21.154 ( -0.306 -0.856 -0.289) 0.954 22.733 ( -0.345 -2.597 3.469) 4.347 22.804 ( 0.611 -4.559 -3.297) 5.660 24.233 ( 0.457 -1.107 0.107) 1.203 24.248 ( 0.110 -1.458 -0.099) 1.465 25.348 ( -0.200 1.913 2.330) 3.021 25.408 ( 0.235 0.721 -2.707) 2.811 25.906 ( 0.148 0.073 2.081) 2.088 25.975 ( 0.331 -1.595 -1.798) 2.426 27.219 ( 0.053 -1.438 0.001) 1.439 27.230 ( -0.433 -1.419 0.217) 1.500 27.262 ( 1.716 -0.648 -0.744) 1.979 27.316 ( -0.190 -1.297 1.192) 1.772 27.469 ( -0.706 0.515 -1.800) 2.001 27.504 ( -1.960 -0.479 -0.373) 2.052 27.548 ( 0.546 0.751 2.842) 2.990 27.610 ( 0.035 0.074 -1.231) 1.233 28.167 ( -0.346 11.108 0.268) 11.117 28.189 ( -0.977 10.785 -0.387) 10.836 28.597 ( 1.664 6.120 1.727) 6.573 28.641 ( 2.051 4.168 -1.509) 4.884 29.353 ( 0.019 9.574 -0.487) 9.586 29.361 ( -1.004 7.615 0.784) 7.721 29.453 ( -2.186 5.341 1.148) 5.885 29.620 ( -1.180 3.846 -4.978) 6.400 29.835 ( 1.958 -0.165 2.992) 3.579 29.994 ( -1.215 -3.053 -0.402) 3.310 30.084 ( -1.101 -2.580 1.298) 3.091 30.156 ( 1.586 -5.750 -2.273) 6.383 30.780 ( 5.484 3.163 5.218) 8.204 30.923 ( 13.325 4.915 -0.457) 14.210 31.128 ( -4.769 0.595 -1.937) 5.182 31.433 ( -6.784 -7.838 -1.812) 10.523 32.798 ( 0.340 -5.427 1.653) 5.683 32.849 ( 1.206 -6.599 0.752) 6.750 32.952 ( -2.170 -10.636 3.199) 11.317 33.081 ( 2.865 -10.555 -4.571) 11.854 33.473 ( -4.230 1.615 0.143) 4.530 33.674 ( -7.051 0.090 -1.839) 7.287 33.893 ( 3.742 -7.333 3.057) 8.782 34.053 ( 1.226 -8.150 -1.527) 8.382 47.344 ( 0.060 2.234 0.168) 2.241 47.358 ( -0.219 1.799 0.015) 1.812 47.544 ( -0.038 2.324 0.029) 2.324 47.547 ( -0.082 2.213 -0.226) 2.226 97.323 ( 0.119 5.091 0.162) 5.095 97.340 ( 0.048 5.204 -0.720) 5.253 97.409 ( 0.846 6.542 2.707) 7.131 97.486 ( 2.086 4.567 -2.541) 5.628 98.741 ( 0.121 -1.578 0.728) 1.742 98.760 ( 0.276 -1.571 -0.912) 1.837 99.043 ( -3.735 -5.784 0.460) 6.900 99.140 ( -4.899 -8.786 -0.100) 10.060 ======================= Grid point 101 (49/60) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.419 9.845 4.772) 10.949 1.974 ( -0.861 11.406 -6.503) 13.157 2.023 ( -0.161 8.260 1.560) 8.407 2.070 ( -1.173 5.322 -2.558) 6.020 2.212 ( 0.830 10.989 5.311) 12.233 2.325 ( 1.444 7.667 -5.537) 9.567 2.376 ( 3.180 11.023 0.811) 11.501 2.401 ( -3.020 8.163 -1.887) 8.906 2.528 ( -3.430 1.196 3.602) 5.115 2.574 ( 0.765 0.948 0.247) 1.243 2.647 ( -0.472 0.104 2.845) 2.886 2.718 ( 1.440 -2.915 -3.924) 5.096 2.889 ( 1.151 -0.118 2.617) 2.861 2.938 ( 3.977 1.719 -2.079) 4.806 2.993 ( -0.992 4.384 -0.229) 4.501 3.020 ( -4.443 4.178 -1.668) 6.323 3.127 ( 2.935 2.587 3.018) 4.941 3.192 ( -2.071 3.860 -2.584) 5.086 3.307 ( 2.195 -2.415 3.323) 4.658 3.371 ( -2.937 -0.911 -2.225) 3.796 3.521 ( -1.211 -4.298 0.975) 4.571 3.528 ( 0.629 -2.272 0.371) 2.386 3.648 ( 0.791 0.175 0.885) 1.200 3.697 ( 1.055 -0.356 -3.891) 4.047 3.823 ( -1.713 -0.757 2.571) 3.181 3.861 ( 2.884 -4.304 0.276) 5.188 3.901 ( 1.085 -4.865 2.338) 5.506 3.931 ( -1.692 -2.119 -1.775) 3.241 3.992 ( 2.009 1.876 -0.855) 2.879 4.009 ( -2.153 -0.673 -1.900) 2.950 4.233 ( 1.664 1.947 6.972) 7.428 4.247 ( -2.306 8.638 3.909) 9.757 4.270 ( 2.908 -0.705 3.739) 4.789 4.379 ( -1.438 2.625 -5.685) 6.424 4.442 ( -0.633 -2.257 -2.621) 3.516 4.519 ( -0.962 -3.269 -7.301) 8.057 4.649 ( 0.993 5.992 4.453) 7.531 4.729 ( -3.184 4.511 0.419) 5.537 4.763 ( 1.139 3.281 2.318) 4.175 4.816 ( 0.342 0.034 0.400) 0.527 4.868 ( -1.307 1.559 -3.056) 3.671 4.912 ( 0.499 4.078 -4.280) 5.933 5.001 ( 1.159 1.768 0.911) 2.302 5.044 ( -0.596 -0.956 -3.292) 3.480 5.147 ( 4.388 -0.823 3.379) 5.599 5.184 ( -4.020 2.900 0.432) 4.976 5.284 ( -0.628 0.910 4.057) 4.205 5.358 ( 0.933 1.641 -2.233) 2.924 5.395 ( 0.994 -0.947 3.459) 3.722 5.465 ( 0.949 -1.563 -2.989) 3.504 5.516 ( 0.153 2.867 0.704) 2.957 5.574 ( -1.571 -1.777 -4.616) 5.190 5.727 ( 0.720 2.343 1.808) 3.046 5.742 ( -0.534 2.672 0.471) 2.765 5.801 ( 1.385 -0.160 2.945) 3.259 5.842 ( -1.709 -1.104 -1.385) 2.461 6.080 ( -1.766 1.600 1.205) 2.670 6.135 ( 1.847 0.596 -3.904) 4.360 6.271 ( 2.210 -4.562 1.603) 5.316 6.287 ( -2.692 -5.636 -0.044) 6.246 6.439 ( 1.805 -0.782 3.289) 3.833 6.506 ( -1.455 -2.877 -2.819) 4.282 6.634 ( 0.438 1.322 0.891) 1.653 6.657 ( -0.511 0.330 -1.160) 1.310 7.047 ( 2.029 1.679 0.278) 2.648 7.050 ( -1.957 0.882 0.041) 2.147 7.214 ( -0.492 -5.249 -0.320) 5.282 7.228 ( 1.435 -5.755 -1.731) 6.178 7.405 ( -1.215 -0.429 1.995) 2.375 7.442 ( 1.153 -2.074 -0.979) 2.568 7.477 ( -2.078 -3.726 3.318) 5.405 7.547 ( 1.439 -5.607 -2.816) 6.438 8.044 ( -3.144 5.817 0.487) 6.630 8.060 ( 3.183 6.421 -0.807) 7.212 8.192 ( -0.609 -1.122 2.497) 2.805 8.239 ( 0.502 -1.871 -1.883) 2.702 8.944 ( 0.422 0.161 4.037) 4.063 9.008 ( -0.730 -2.485 3.520) 4.370 9.060 ( -0.683 -0.237 -7.024) 7.061 9.108 ( 1.222 -2.123 -5.866) 6.357 9.580 ( -0.093 2.947 6.804) 7.415 9.590 ( -0.756 2.450 6.195) 6.704 9.943 ( 1.089 5.184 -3.705) 6.464 9.955 ( -0.386 4.349 -4.362) 6.171 10.586 ( 0.476 -2.670 3.721) 4.605 10.674 ( -3.243 -6.197 -3.177) 7.682 10.701 ( 1.878 -6.052 0.185) 6.340 10.737 ( 0.764 -7.229 -2.526) 7.696 11.036 ( -0.071 0.115 2.902) 2.906 11.077 ( 0.368 0.248 -0.999) 1.093 11.234 ( -1.270 -3.467 0.406) 3.714 11.245 ( 1.020 -3.082 -0.343) 3.265 11.508 ( 0.421 3.597 0.394) 3.643 11.528 ( -0.904 3.623 -1.515) 4.030 11.647 ( 1.135 -1.747 1.671) 2.671 11.674 ( -0.686 -2.826 -0.907) 3.046 11.943 ( -0.029 -0.816 3.934) 4.018 12.026 ( 0.048 -0.329 -3.761) 3.775 12.131 ( -0.107 -4.291 3.074) 5.280 12.195 ( 0.063 -4.374 -2.821) 5.205 12.908 ( -0.035 2.495 0.908) 2.656 12.920 ( 0.035 2.288 -0.122) 2.291 13.102 ( 0.521 -0.233 1.279) 1.400 13.145 ( -0.695 -1.691 -2.584) 3.166 13.933 ( 0.356 1.306 0.480) 1.436 13.934 ( 0.344 1.121 0.466) 1.262 14.194 ( -0.197 1.683 0.433) 1.749 14.216 ( -0.510 0.946 -1.492) 1.839 14.437 ( 0.113 0.321 1.588) 1.624 14.458 ( -0.546 -0.083 1.241) 1.359 14.484 ( -0.485 -0.005 -0.877) 1.003 14.503 ( 1.068 -0.377 -1.207) 1.655 15.376 ( 0.087 0.770 0.100) 0.782 15.381 ( -0.195 0.520 -0.386) 0.676 15.418 ( 0.389 0.472 0.334) 0.697 15.422 ( -0.256 0.284 -0.024) 0.383 16.169 ( -1.364 1.567 0.176) 2.085 16.174 ( 1.625 1.229 -0.247) 2.053 16.225 ( -0.259 -1.607 0.509) 1.706 16.235 ( -0.008 -1.892 -0.455) 1.946 16.472 ( 0.695 3.430 0.552) 3.543 16.487 ( -0.915 2.678 -0.801) 2.941 16.634 ( 0.187 -4.360 0.785) 4.434 16.648 ( 0.004 -4.531 -0.550) 4.564 17.557 ( 0.555 -0.920 0.763) 1.318 17.573 ( -0.644 -0.109 -0.607) 0.892 17.629 ( 0.192 -3.773 -0.031) 3.778 17.631 ( -0.045 -2.314 -0.209) 2.324 18.238 ( -1.755 4.133 1.204) 4.649 18.269 ( 2.055 2.452 -1.691) 3.619 18.357 ( 0.200 -1.767 1.766) 2.506 18.387 ( -0.543 -2.933 -1.086) 3.175 19.587 ( 0.008 2.573 0.084) 2.574 19.591 ( -0.067 2.562 -0.212) 2.572 19.698 ( 0.317 -2.328 0.371) 2.378 19.704 ( -0.248 -2.532 -0.223) 2.554 20.747 ( -0.050 -1.147 0.435) 1.228 20.755 ( 0.047 -1.465 -0.280) 1.493 21.123 ( 0.206 -0.375 0.244) 0.492 21.129 ( -0.201 -0.720 -0.332) 0.818 22.696 ( -0.119 -0.950 1.470) 1.754 22.728 ( 0.117 -2.706 -1.449) 3.072 24.222 ( -0.047 -0.451 0.146) 0.476 24.227 ( 0.064 -0.692 -0.278) 0.749 25.386 ( -0.106 1.592 1.539) 2.217 25.417 ( 0.049 0.175 -1.276) 1.289 25.917 ( 0.154 0.257 1.166) 1.204 25.946 ( -0.119 -1.058 -1.402) 1.760 27.201 ( -0.374 -0.528 0.038) 0.648 27.202 ( 0.268 -0.657 -0.025) 0.710 27.271 ( -1.309 -0.952 0.364) 1.659 27.277 ( 1.449 -1.119 -0.062) 1.832 27.475 ( -0.851 0.566 -0.510) 1.142 27.478 ( 0.854 0.153 -0.536) 1.019 27.568 ( 0.026 0.416 2.012) 2.055 27.601 ( -0.049 -0.731 -1.188) 1.396 28.352 ( -0.109 6.973 0.390) 6.985 28.361 ( 0.112 6.752 -0.431) 6.766 28.683 ( -0.034 1.251 0.510) 1.352 28.692 ( 0.015 0.302 -0.388) 0.492 29.484 ( -0.232 5.275 1.327) 5.445 29.512 ( -0.364 4.607 -1.078) 4.745 29.595 ( 2.155 6.620 1.607) 7.145 29.640 ( -1.707 2.367 -2.355) 3.750 29.859 ( 1.323 -0.913 2.127) 2.667 29.908 ( -0.892 -0.856 -2.243) 2.561 30.016 ( -0.391 -3.896 0.764) 3.989 30.039 ( 0.018 -5.826 -1.315) 5.973 30.956 ( 1.189 4.630 6.164) 7.801 31.089 ( -1.724 0.203 -5.690) 5.949 31.128 ( -1.404 0.084 3.219) 3.513 31.205 ( 2.197 -1.458 -3.388) 4.293 32.709 ( -0.507 -3.491 2.426) 4.282 32.761 ( 0.421 -5.982 4.964) 7.785 32.762 ( -0.080 -3.163 -1.987) 3.736 32.871 ( -0.095 -8.818 -4.801) 10.041 33.545 ( 1.780 4.009 2.918) 5.269 33.622 ( -2.621 2.661 -4.467) 5.823 33.826 ( 2.104 -5.133 4.230) 6.976 33.896 ( -1.159 -6.333 -2.558) 6.927 47.383 ( 0.005 1.284 0.222) 1.303 47.385 ( -0.032 1.158 0.029) 1.158 47.583 ( 0.010 1.422 -0.077) 1.424 47.584 ( 0.017 1.361 -0.176) 1.373 97.414 ( 0.086 3.246 0.373) 3.268 97.424 ( -0.090 2.905 -0.537) 2.956 97.526 ( 0.059 3.583 1.578) 3.916 97.560 ( -0.071 1.850 -1.506) 2.387 98.719 ( -0.103 -0.683 0.527) 0.869 98.731 ( 0.105 -1.194 -0.590) 1.336 98.941 ( 0.315 -2.983 0.875) 3.124 98.959 ( -0.287 -3.945 -0.765) 4.028 ======================= Grid point 102 (50/60) ======================= q-point: ( 0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 1.681 10.940 4.418) 11.918 1.962 ( 0.686 12.594 -5.797) 13.881 1.996 ( 0.356 6.052 0.258) 6.068 2.109 ( 2.007 7.315 1.437) 7.721 2.219 ( -0.488 14.289 2.101) 14.451 2.305 ( -0.704 4.331 -3.993) 5.933 2.381 ( 4.481 4.095 -3.521) 7.018 2.431 ( -1.445 10.229 3.903) 11.043 2.443 ( -6.287 4.858 1.955) 8.183 2.596 ( 1.005 -1.239 0.081) 1.597 2.680 ( 2.240 1.462 0.350) 2.698 2.762 ( 4.369 -3.560 -1.926) 5.956 2.829 ( -4.702 4.247 -1.600) 6.535 2.892 ( -1.869 -1.140 -0.910) 2.371 2.999 ( -1.157 3.954 2.240) 4.689 3.057 ( 3.299 -2.064 1.491) 4.168 3.139 ( -2.168 2.759 1.339) 3.755 3.234 ( 3.648 5.489 -2.781) 7.153 3.289 ( -3.898 -2.694 -0.489) 4.763 3.409 ( 4.854 -5.335 2.586) 7.662 3.494 ( 3.105 0.563 0.703) 3.233 3.534 ( -2.033 -3.055 1.118) 3.836 3.673 ( 3.743 1.677 -2.172) 4.641 3.711 ( -1.009 -1.516 -3.408) 3.865 3.732 ( -5.661 -1.723 2.322) 6.356 3.875 ( -1.385 -2.467 0.290) 2.844 3.919 ( -0.432 -1.702 -1.169) 2.109 3.961 ( 1.167 1.098 -2.260) 2.770 3.996 ( 3.239 -3.708 3.186) 5.865 4.008 ( 0.359 -1.109 -1.163) 1.647 4.213 ( -1.714 4.398 1.104) 4.848 4.261 ( -0.799 0.716 0.506) 1.186 4.307 ( 1.040 0.952 3.985) 4.227 4.369 ( -0.872 -5.134 3.945) 6.533 4.432 ( -0.420 -0.341 -4.148) 4.183 4.462 ( -1.617 3.032 -4.375) 5.563 4.629 ( -2.490 4.014 1.417) 4.932 4.713 ( 1.194 6.952 0.442) 7.067 4.783 ( 0.704 -2.922 1.593) 3.401 4.858 ( 2.580 -0.969 1.354) 3.070 4.868 ( 2.741 9.034 -2.629) 9.800 4.951 ( 3.246 3.214 -2.675) 5.294 5.027 ( 1.390 1.856 -0.196) 2.327 5.056 ( 0.101 0.609 0.201) 0.649 5.097 ( 0.399 1.468 -0.008) 1.521 5.226 ( 0.379 1.622 1.492) 2.236 5.268 ( 1.425 2.538 0.550) 2.962 5.410 ( 2.770 -0.307 0.378) 2.812 5.456 ( 0.917 -0.424 -2.400) 2.604 5.487 ( 4.072 1.366 1.308) 4.490 5.507 ( 1.243 1.603 -2.220) 3.008 5.613 ( 3.271 -1.172 -0.342) 3.491 5.714 ( -2.364 5.235 1.956) 6.067 5.743 ( 0.483 -0.317 0.158) 0.599 5.780 ( -2.486 -1.176 0.717) 2.842 5.841 ( 0.748 -1.740 0.961) 2.124 6.038 ( -2.538 0.774 0.518) 2.703 6.145 ( -0.127 1.867 -2.863) 3.421 6.166 ( -8.221 -4.207 -0.538) 9.250 6.247 ( -4.194 -4.971 0.595) 6.531 6.396 ( -5.012 1.127 0.650) 5.178 6.513 ( 0.080 -4.343 0.308) 4.355 6.606 ( -2.372 2.198 -0.391) 3.258 6.678 ( 2.197 -0.753 0.323) 2.345 7.034 ( 0.589 1.408 -0.212) 1.541 7.082 ( 0.233 0.827 -0.271) 0.901 7.180 ( -2.738 -5.179 -0.139) 5.860 7.254 ( 2.000 -5.411 -1.546) 5.972 7.401 ( 1.063 0.352 0.978) 1.487 7.452 ( -0.768 -2.421 2.747) 3.741 7.492 ( 2.906 -3.453 -0.342) 4.526 7.566 ( 0.882 -5.226 -1.430) 5.489 7.904 ( -6.579 5.840 -0.071) 8.797 8.054 ( -7.363 -0.999 0.117) 7.431 8.229 ( 8.102 4.708 -0.388) 9.378 8.346 ( 5.394 0.287 0.322) 5.411 8.947 ( -0.943 -1.273 3.422) 3.771 8.992 ( -1.401 -3.685 2.629) 4.738 9.050 ( 0.952 0.838 -5.308) 5.457 9.122 ( 1.207 -2.289 -5.512) 6.089 9.585 ( -0.700 3.228 6.285) 7.100 9.592 ( -0.107 2.630 6.474) 6.989 9.910 ( -2.898 4.707 -4.129) 6.899 9.926 ( -2.063 4.631 -4.176) 6.568 10.588 ( -1.075 -4.371 3.594) 5.760 10.612 ( -1.606 -6.262 -2.253) 6.846 10.754 ( 4.862 -3.772 -2.327) 6.579 10.834 ( 7.017 -7.228 -0.489) 10.086 11.048 ( 0.671 -0.591 2.579) 2.730 11.093 ( 1.340 0.853 -1.572) 2.235 11.199 ( -2.336 -2.666 0.869) 3.649 11.255 ( -0.091 -3.852 -0.270) 3.863 11.489 ( -1.840 4.349 -0.250) 4.729 11.515 ( -0.667 3.121 0.135) 3.194 11.651 ( -1.165 -2.677 -1.204) 3.159 11.663 ( 0.102 -3.295 1.052) 3.461 11.944 ( -0.617 0.125 3.837) 3.888 12.018 ( -0.161 -0.316 -3.716) 3.733 12.132 ( -0.375 -4.806 3.026) 5.692 12.188 ( -0.221 -4.460 -2.731) 5.235 12.912 ( 0.874 2.719 0.431) 2.889 12.946 ( 1.941 1.490 0.199) 2.455 13.105 ( -0.577 -0.179 0.139) 0.620 13.133 ( -0.035 -1.133 -0.823) 1.401 13.920 ( -0.550 1.927 -0.271) 2.022 13.959 ( 0.749 0.175 -0.351) 0.846 14.166 ( -1.424 2.498 0.503) 2.919 14.231 ( 0.946 -0.410 0.085) 1.034 14.419 ( -2.153 0.932 0.791) 2.476 14.438 ( -1.303 0.185 0.958) 1.628 14.476 ( 0.077 0.703 -0.550) 0.896 14.520 ( 0.523 -1.056 -0.994) 1.541 15.362 ( -0.802 1.245 0.018) 1.481 15.391 ( 0.504 0.067 0.062) 0.512 15.398 ( -1.403 1.144 -0.172) 1.818 15.431 ( 0.204 -0.221 0.078) 0.310 16.081 ( -4.306 1.559 -0.070) 4.581 16.113 ( -5.034 0.637 0.034) 5.074 16.290 ( 5.324 -1.258 -0.041) 5.470 16.323 ( 4.463 -2.009 0.039) 4.895 16.467 ( -0.797 2.844 -0.422) 2.984 16.489 ( 0.659 2.924 0.640) 3.065 16.631 ( -0.504 -4.726 0.265) 4.761 16.649 ( 0.133 -4.726 -0.424) 4.747 17.529 ( 0.270 0.953 -0.009) 0.990 17.657 ( 3.612 -3.018 -0.016) 4.707 17.665 ( 5.160 -1.022 0.669) 5.303 17.692 ( 6.293 -2.766 -0.841) 6.925 18.098 ( -9.561 5.588 0.352) 11.079 18.292 ( -5.103 -3.049 0.699) 5.985 18.307 ( -1.713 0.891 -1.355) 2.359 18.346 ( -4.151 -1.155 0.558) 4.345 19.585 ( 0.200 2.902 0.164) 2.913 19.610 ( 1.457 2.136 -0.199) 2.593 19.719 ( 1.781 -2.910 -0.184) 3.417 19.727 ( 2.225 -2.896 0.224) 3.659 20.758 ( 0.998 -1.174 0.435) 1.601 20.767 ( 1.149 -1.500 -0.299) 1.913 21.128 ( 0.207 -0.484 -0.275) 0.594 21.132 ( 0.506 -0.583 0.189) 0.795 22.698 ( -0.006 -0.905 1.452) 1.711 22.729 ( 0.227 -2.653 -1.424) 3.020 24.218 ( -0.358 -0.348 0.052) 0.502 24.226 ( -0.199 -0.803 -0.189) 0.848 25.386 ( -0.190 1.541 1.570) 2.208 25.415 ( -0.035 0.227 -1.262) 1.283 25.920 ( -0.161 -0.042 1.151) 1.163 25.938 ( -0.391 -0.823 -1.392) 1.664 27.193 ( -0.503 -0.557 0.037) 0.752 27.206 ( 0.090 -1.097 0.056) 1.102 27.248 ( -0.904 0.304 0.214) 0.978 27.305 ( 1.390 -1.975 -0.141) 2.419 27.463 ( -0.278 1.233 -0.483) 1.353 27.500 ( 1.341 -0.457 -0.256) 1.439 27.573 ( 0.109 0.269 1.864) 1.887 27.597 ( -0.180 -0.549 -1.239) 1.367 28.359 ( 0.751 7.243 0.361) 7.291 28.374 ( 1.120 6.683 -0.419) 6.789 28.670 ( -0.980 1.516 0.360) 1.841 28.690 ( -0.521 0.773 -0.229) 0.960 29.485 ( 0.542 5.209 0.872) 5.309 29.518 ( 0.664 5.082 0.017) 5.125 29.579 ( -2.038 4.546 -1.003) 5.082 29.660 ( 2.173 3.230 0.117) 3.894 29.865 ( -1.084 -2.335 -1.128) 2.811 29.916 ( 1.921 -0.176 0.064) 1.930 30.004 ( -1.008 -4.423 0.867) 4.618 30.036 ( 0.020 -4.402 -0.589) 4.441 30.927 ( -4.176 4.047 2.556) 6.352 30.962 ( -7.723 2.434 0.278) 8.102 31.147 ( 3.758 3.078 -0.847) 4.931 31.313 ( 5.089 -5.069 -2.098) 7.483 32.702 ( -0.578 -3.604 2.449) 4.395 32.758 ( 0.097 -3.739 -1.291) 3.957 32.771 ( -0.449 -5.033 3.915) 6.392 32.863 ( 0.294 -8.574 -4.218) 9.560 33.578 ( -0.286 2.542 -2.825) 3.811 33.603 ( 2.432 1.310 3.094) 4.148 33.855 ( -2.091 -5.145 -3.185) 6.402 33.860 ( 0.432 -5.059 2.838) 5.817 47.382 ( -0.023 1.367 0.138) 1.374 47.388 ( 0.131 1.076 0.116) 1.090 47.584 ( 0.039 1.420 -0.071) 1.422 47.585 ( 0.075 1.343 -0.185) 1.357 97.415 ( -0.057 3.167 0.302) 3.182 97.420 ( -0.174 2.997 -0.415) 3.031 97.525 ( -0.482 3.592 1.459) 3.907 97.549 ( -0.706 2.445 -1.384) 2.897 98.717 ( -0.014 -0.383 0.398) 0.553 98.735 ( 0.271 -1.097 -0.445) 1.215 98.952 ( 1.367 -3.490 0.033) 3.749 98.989 ( 2.397 -5.260 0.003) 5.780 ======================= Grid point 103 (51/60) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 4.223 11.714 2.448) 12.690 1.982 ( 2.535 10.893 -2.347) 11.428 2.027 ( 1.736 5.709 -0.987) 6.049 2.124 ( -0.694 7.516 1.376) 7.673 2.201 ( -2.926 16.625 2.454) 17.058 2.302 ( -1.657 6.086 -2.925) 6.953 2.353 ( 0.136 5.036 0.486) 5.062 2.419 ( 1.561 3.742 2.273) 4.649 2.499 ( 7.770 6.091 -2.837) 10.273 2.577 ( -3.006 0.307 0.433) 3.053 2.673 ( -3.037 0.706 -4.442) 5.427 2.760 ( -2.321 4.461 1.653) 5.293 2.825 ( 1.791 -1.055 0.164) 2.085 2.899 ( -3.270 -2.772 0.863) 4.372 2.993 ( 4.558 -2.727 0.762) 5.365 3.077 ( -1.043 2.859 4.662) 5.567 3.093 ( -2.103 -2.094 -0.527) 3.014 3.195 ( -3.729 -4.772 1.868) 6.338 3.280 ( 0.707 1.345 -6.235) 6.417 3.422 ( -5.892 -6.299 2.454) 8.967 3.526 ( 5.201 1.986 -1.754) 5.837 3.617 ( 5.925 1.228 -0.793) 6.103 3.644 ( -1.685 -1.470 0.794) 2.373 3.715 ( 1.976 -2.316 0.456) 3.079 3.786 ( 5.725 0.454 -0.933) 5.818 3.837 ( -3.109 -0.178 2.984) 4.313 3.904 ( -0.888 -2.348 -1.983) 3.199 3.946 ( 0.274 -1.390 -0.919) 1.689 4.005 ( -1.541 -0.851 -1.913) 2.600 4.054 ( 1.233 -0.862 3.184) 3.521 4.154 ( -6.160 -0.480 -0.566) 6.204 4.210 ( -1.000 -0.453 -2.523) 2.752 4.299 ( -3.030 0.260 0.440) 3.073 4.323 ( -3.467 -3.994 2.916) 6.039 4.438 ( 2.934 -0.305 3.144) 4.311 4.492 ( 2.042 1.633 -4.299) 5.032 4.617 ( 1.756 2.864 2.432) 4.147 4.759 ( 2.860 2.644 0.588) 3.939 4.805 ( 2.386 1.262 -1.519) 3.097 4.902 ( 2.660 0.846 -0.457) 2.829 4.931 ( 2.235 6.933 0.662) 7.314 4.955 ( -1.930 4.812 -0.493) 5.208 5.056 ( 2.088 5.566 -2.178) 6.331 5.126 ( 5.635 2.780 3.783) 7.334 5.143 ( 0.492 0.941 -0.863) 1.369 5.225 ( 1.595 2.023 -0.316) 2.595 5.317 ( 3.027 4.688 -0.745) 5.630 5.412 ( -2.638 4.086 -2.826) 5.625 5.475 ( 2.406 0.280 -0.635) 2.504 5.528 ( 0.957 2.310 1.380) 2.856 5.592 ( 4.591 -1.620 -0.136) 4.870 5.650 ( 1.016 -1.819 1.142) 2.376 5.661 ( -2.837 3.666 -0.084) 4.637 5.718 ( -1.464 -2.848 -0.997) 3.354 5.773 ( -1.725 -0.821 2.836) 3.419 5.852 ( 0.447 -3.981 -1.741) 4.368 5.983 ( -2.817 0.459 3.049) 4.176 6.035 ( -3.723 -2.474 1.818) 4.825 6.132 ( -1.789 1.500 -3.552) 4.251 6.164 ( -2.171 -0.888 -1.135) 2.606 6.307 ( -2.912 2.687 -0.418) 3.984 6.447 ( -6.382 0.041 0.229) 6.387 6.597 ( 1.196 -0.897 0.962) 1.778 6.706 ( 0.148 -1.831 -0.955) 2.070 7.046 ( -0.917 0.604 1.489) 1.850 7.056 ( -1.323 -0.474 -1.942) 2.398 7.143 ( -0.003 -3.414 1.196) 3.617 7.279 ( -0.016 -5.672 -1.043) 5.767 7.436 ( 1.666 0.132 1.888) 2.522 7.469 ( 2.450 -1.294 -1.192) 3.017 7.539 ( 1.840 -2.893 0.188) 3.434 7.574 ( 0.012 -3.801 0.146) 3.804 7.807 ( -3.055 4.033 0.106) 5.060 7.919 ( -6.325 -1.068 -0.602) 6.443 8.365 ( 5.695 4.881 -0.403) 7.511 8.418 ( 1.985 2.784 0.613) 3.473 8.930 ( -1.222 -2.772 3.057) 4.304 8.972 ( -0.754 -5.838 0.748) 5.934 9.067 ( 1.285 0.813 -2.988) 3.352 9.130 ( 0.717 -2.119 -5.247) 5.704 9.585 ( -0.525 4.267 7.109) 8.308 9.603 ( -0.110 2.792 6.713) 7.271 9.846 ( -2.478 4.722 -4.394) 6.910 9.868 ( -2.404 4.135 -5.131) 7.015 10.567 ( -1.204 -5.070 2.632) 5.838 10.603 ( 0.501 -7.016 -2.853) 7.590 10.866 ( 6.618 -1.956 -1.109) 6.990 10.964 ( 5.475 -6.351 -0.006) 8.385 11.063 ( 0.229 -1.053 2.119) 2.378 11.102 ( -0.999 1.666 -1.709) 2.587 11.163 ( -0.487 -2.869 0.886) 3.042 11.237 ( -1.862 -4.147 0.065) 4.546 11.460 ( -0.947 4.352 0.270) 4.462 11.495 ( -1.217 2.972 -0.261) 3.222 11.633 ( -0.481 -3.579 -0.445) 3.639 11.657 ( -0.732 -4.691 0.275) 4.756 11.937 ( -0.702 0.772 3.519) 3.670 12.008 ( -0.086 0.330 -3.495) 3.512 12.129 ( -0.502 -5.469 2.686) 6.113 12.179 ( -0.090 -4.592 -2.490) 5.224 12.943 ( 1.997 2.105 0.447) 2.936 12.980 ( 1.253 0.521 0.166) 1.367 13.094 ( -0.167 0.699 -0.466) 0.856 13.127 ( -0.819 -0.461 0.366) 1.009 13.913 ( -0.058 1.828 -0.656) 1.943 13.954 ( -0.932 0.282 -1.537) 1.820 14.158 ( 0.382 2.248 1.658) 2.819 14.236 ( -0.542 -0.893 -0.094) 1.049 14.384 ( -1.057 1.545 1.487) 2.391 14.417 ( -0.843 0.020 0.813) 1.171 14.483 ( 0.547 0.862 -0.541) 1.155 14.517 ( -0.441 -0.771 -1.430) 1.683 15.349 ( -0.423 1.702 0.138) 1.759 15.372 ( -1.117 1.730 -0.372) 2.093 15.398 ( 0.258 -0.285 0.493) 0.625 15.429 ( -0.357 -0.550 -0.321) 0.730 16.016 ( -2.253 1.754 -0.074) 2.856 16.033 ( -3.140 1.279 0.014) 3.390 16.380 ( 3.713 -2.420 0.069) 4.432 16.392 ( 2.645 -1.994 0.014) 3.312 16.458 ( -0.238 2.176 0.515) 2.248 16.492 ( -0.406 2.516 -0.309) 2.567 16.622 ( -0.344 -5.223 0.545) 5.263 16.648 ( -0.089 -5.244 -0.757) 5.299 17.576 ( 4.513 3.039 0.028) 5.441 17.748 ( 5.650 -4.218 -0.078) 7.051 17.772 ( 5.475 0.827 0.326) 5.546 17.817 ( 1.927 -1.031 -0.547) 2.253 17.936 ( -2.573 5.226 0.237) 5.830 18.164 ( -6.906 -4.194 0.427) 8.091 18.226 ( -6.791 0.220 -0.227) 6.799 18.241 ( -6.005 -0.762 -0.111) 6.054 19.595 ( 0.637 3.214 0.787) 3.369 19.633 ( 0.880 1.981 -0.852) 2.329 19.758 ( 1.957 -3.771 -0.010) 4.249 19.769 ( 1.745 -3.723 0.078) 4.112 20.780 ( 0.983 -1.217 0.478) 1.636 20.790 ( 1.111 -1.591 -0.355) 1.973 21.134 ( 0.393 -0.354 -0.179) 0.558 21.141 ( 0.279 -0.636 0.089) 0.700 22.701 ( -0.008 -0.826 1.415) 1.639 22.731 ( 0.229 -2.497 -1.376) 2.861 24.212 ( -0.194 -0.381 0.021) 0.428 24.219 ( -0.377 -0.797 -0.161) 0.896 25.385 ( -0.228 1.456 1.535) 2.128 25.412 ( 0.034 0.212 -1.203) 1.222 25.916 ( -0.377 -0.197 0.910) 1.004 25.929 ( -0.180 -0.747 -1.140) 1.375 27.182 ( -0.541 -0.735 0.212) 0.937 27.200 ( -0.586 -1.389 -0.580) 1.616 27.247 ( 0.671 1.112 1.239) 1.795 27.323 ( 0.348 -1.798 -1.188) 2.183 27.465 ( 0.590 1.016 0.440) 1.255 27.521 ( 0.651 -1.345 -0.646) 1.628 27.577 ( -0.037 0.388 1.552) 1.600 27.591 ( -0.083 0.024 -1.007) 1.010 28.379 ( 1.034 7.592 0.497) 7.679 28.396 ( 1.097 6.847 -0.565) 6.957 28.653 ( -0.744 2.094 0.418) 2.261 28.672 ( -1.081 1.659 -0.335) 2.008 29.509 ( 1.278 4.694 0.318) 4.875 29.526 ( 0.070 5.997 -0.322) 6.006 29.558 ( 0.464 2.660 0.698) 2.789 29.682 ( -0.122 0.813 -0.847) 1.180 29.842 ( -0.702 -0.439 -0.063) 0.830 29.933 ( -0.618 -0.232 -1.921) 2.031 29.998 ( 0.705 -4.701 1.913) 5.124 30.039 ( 0.342 -3.759 -0.381) 3.794 30.837 ( -4.113 6.019 0.526) 7.309 30.859 ( -3.642 4.560 1.349) 5.989 31.226 ( 4.099 1.255 0.150) 4.289 31.360 ( 0.307 -4.886 -2.229) 5.380 32.699 ( -0.239 -3.359 2.117) 3.977 32.751 ( -0.545 -2.690 -1.672) 3.213 32.772 ( 0.018 -6.197 4.027) 7.391 32.863 ( 0.404 -8.368 -3.677) 9.149 33.586 ( 1.675 0.493 -1.858) 2.550 33.645 ( 0.514 -2.672 3.102) 4.126 33.815 ( -0.663 -2.271 -2.951) 3.782 33.859 ( -1.091 -4.515 1.653) 4.930 47.384 ( 0.144 1.359 0.122) 1.372 47.389 ( -0.039 1.088 0.133) 1.097 47.584 ( 0.038 1.412 -0.046) 1.413 47.586 ( 0.073 1.313 -0.209) 1.331 97.414 ( -0.073 3.144 0.004) 3.145 97.416 ( -0.155 2.991 -0.064) 2.996 97.516 ( -0.571 3.942 1.091) 4.130 97.534 ( -0.513 3.141 -1.033) 3.346 98.721 ( 0.216 -0.115 0.482) 0.540 98.738 ( 0.097 -0.733 -0.498) 0.891 98.991 ( 2.341 -5.084 -0.085) 5.598 99.027 ( 1.184 -6.814 0.063) 6.917 ======================= Grid point 104 (52/60) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -2.552 5.598 3.244) 6.955 2.053 ( 3.167 7.786 -0.943) 8.458 2.073 ( -0.655 11.621 -1.552) 11.742 2.083 ( 2.308 9.763 -3.724) 10.701 2.155 ( -0.211 13.957 4.984) 14.822 2.275 ( -0.317 13.359 -4.296) 14.037 2.386 ( 0.478 3.425 3.432) 4.872 2.458 ( 0.516 0.370 -1.010) 1.193 2.534 ( -0.380 1.926 2.442) 3.133 2.579 ( -2.645 1.096 -3.077) 4.203 2.652 ( -7.702 8.131 -0.268) 11.203 2.668 ( 7.873 4.079 -1.606) 9.011 2.855 ( -2.305 -1.080 1.805) 3.120 2.877 ( 2.811 -1.137 0.426) 3.062 3.009 ( -0.348 -6.515 0.679) 6.559 3.029 ( -0.970 -5.853 -0.732) 5.978 3.116 ( 1.344 0.374 3.817) 4.064 3.176 ( -3.457 -2.231 3.910) 5.676 3.298 ( 0.211 -1.231 -5.714) 5.849 3.353 ( 5.852 -1.902 -4.918) 7.877 3.608 ( 2.541 -0.107 0.435) 2.581 3.617 ( -2.703 -3.992 -0.345) 4.833 3.708 ( -1.417 -1.018 1.126) 2.076 3.721 ( -3.753 0.104 1.238) 3.953 3.771 ( 1.855 0.216 2.136) 2.837 3.832 ( 1.218 -1.499 -1.195) 2.271 3.911 ( 0.620 -0.234 1.365) 1.518 3.927 ( -3.352 -0.953 0.212) 3.491 4.010 ( -3.559 -1.775 1.583) 4.281 4.033 ( 3.066 0.366 -0.392) 3.112 4.122 ( 3.431 0.707 -0.581) 3.551 4.164 ( -0.934 -1.252 -3.476) 3.811 4.254 ( -4.085 -2.716 3.553) 6.057 4.302 ( 2.214 -2.236 -0.130) 3.149 4.475 ( 0.501 1.978 -0.711) 2.161 4.510 ( 1.205 -0.593 -3.306) 3.568 4.691 ( 3.425 1.579 4.856) 6.149 4.775 ( -0.967 -1.081 -2.516) 2.905 4.845 ( -2.317 7.107 2.429) 7.860 4.906 ( 1.072 1.954 -1.992) 2.989 4.940 ( -1.065 4.444 -0.036) 4.570 4.982 ( 3.109 3.323 0.026) 4.550 5.061 ( -4.326 5.319 -0.485) 6.874 5.096 ( 2.004 4.961 -3.162) 6.215 5.208 ( -0.532 4.398 5.171) 6.810 5.289 ( 1.961 1.317 -1.288) 2.691 5.328 ( -2.767 3.230 0.019) 4.253 5.376 ( 0.947 6.006 -3.955) 7.253 5.497 ( -3.566 2.838 2.078) 5.009 5.532 ( 3.746 1.613 -0.553) 4.116 5.603 ( -1.554 -1.525 1.381) 2.578 5.642 ( -1.067 1.383 -1.280) 2.166 5.680 ( 1.587 -6.295 1.941) 6.776 5.714 ( -0.884 -3.234 -0.418) 3.379 5.762 ( 1.658 -1.469 0.945) 2.408 5.798 ( -1.371 -0.673 -2.681) 3.086 5.992 ( 1.861 0.410 2.739) 3.336 6.039 ( 1.950 -0.875 5.069) 5.501 6.074 ( -1.392 0.255 -3.232) 3.528 6.154 ( -0.760 -1.120 -3.612) 3.857 6.310 ( -1.477 3.761 0.802) 4.119 6.334 ( 0.808 3.616 -0.994) 3.836 6.631 ( 1.374 -1.854 2.259) 3.230 6.685 ( -1.178 -1.890 -2.758) 3.545 7.007 ( -1.590 0.184 2.181) 2.705 7.056 ( 1.092 -1.415 -2.530) 3.097 7.184 ( 2.633 -3.154 3.594) 5.459 7.247 ( -2.512 -5.263 -2.352) 6.288 7.462 ( 0.157 0.164 1.470) 1.487 7.498 ( 0.229 -0.983 -1.761) 2.030 7.556 ( -0.541 -1.841 0.914) 2.126 7.574 ( 0.660 -2.784 -0.687) 2.942 7.804 ( 1.275 1.386 0.847) 2.065 7.826 ( -1.256 -0.277 -1.126) 1.709 8.411 ( -1.600 5.401 1.746) 5.897 8.447 ( 1.485 3.544 -1.421) 4.097 8.915 ( -0.901 -3.378 3.270) 4.788 8.970 ( 0.444 -6.524 0.176) 6.542 9.081 ( 0.767 0.290 -2.689) 2.811 9.131 ( 0.321 -1.980 -5.296) 5.663 9.586 ( -1.091 4.921 8.320) 9.728 9.608 ( -0.808 2.903 6.943) 7.569 9.812 ( 0.079 4.684 -4.434) 6.450 9.841 ( 1.088 3.815 -6.263) 7.414 10.553 ( -0.750 -4.600 2.278) 5.188 10.614 ( 1.182 -8.157 -3.324) 8.887 10.972 ( -2.903 -1.648 0.311) 3.353 10.984 ( 2.975 -1.973 -0.504) 3.605 11.055 ( -1.334 -1.320 2.036) 2.769 11.097 ( 1.446 -1.361 -2.068) 2.867 11.181 ( -1.306 -2.536 1.389) 3.173 11.195 ( 0.742 -4.593 -0.165) 4.655 11.455 ( 0.186 3.864 0.890) 3.970 11.478 ( -0.069 3.263 -1.122) 3.451 11.634 ( 0.529 -4.718 0.425) 4.766 11.643 ( -0.504 -4.678 -0.397) 4.722 11.930 ( -0.715 0.758 3.514) 3.665 12.006 ( 0.622 0.921 -3.507) 3.679 12.124 ( -0.456 -5.688 2.528) 6.241 12.177 ( 0.389 -4.691 -2.349) 5.260 12.977 ( 0.837 1.075 0.544) 1.467 12.982 ( -0.907 0.940 0.120) 1.311 13.104 ( -0.741 0.458 0.095) 0.876 13.108 ( 1.023 0.329 -0.192) 1.091 13.913 ( -0.199 1.553 -0.017) 1.566 13.933 ( -0.353 0.727 -2.012) 2.168 14.177 ( 0.714 1.471 2.499) 2.986 14.218 ( -0.560 0.196 -1.411) 1.530 14.392 ( 1.248 0.900 2.325) 2.788 14.409 ( -0.186 0.123 0.490) 0.538 14.488 ( -0.201 0.430 -0.551) 0.727 14.502 ( -0.605 -0.182 -1.675) 1.790 15.346 ( -0.035 1.965 0.437) 2.013 15.358 ( 0.000 1.840 -0.632) 1.946 15.404 ( 0.188 -0.432 0.860) 0.981 15.421 ( -0.183 -0.598 -0.726) 0.958 15.998 ( 0.088 1.580 -0.010) 1.582 15.998 ( -0.090 1.765 -0.046) 1.768 16.420 ( -0.016 -2.729 0.228) 2.739 16.424 ( 0.322 -3.100 -0.097) 3.118 16.455 ( 0.087 2.540 1.148) 2.789 16.480 ( -0.373 2.566 -1.121) 2.825 16.622 ( 0.133 -5.411 0.951) 5.496 16.644 ( -0.140 -5.502 -1.058) 5.605 17.686 ( 0.129 4.200 0.835) 4.284 17.706 ( -0.194 4.502 -1.010) 4.618 17.829 ( -1.285 -1.557 0.357) 2.050 17.838 ( 1.728 -1.521 -0.235) 2.314 18.036 ( -5.102 -0.218 0.931) 5.190 18.058 ( 5.074 -1.006 -0.567) 5.204 18.133 ( 0.481 -1.712 0.300) 1.804 18.145 ( -0.833 -2.487 -0.545) 2.679 19.607 ( 0.271 3.215 1.307) 3.481 19.637 ( -0.266 2.151 -1.390) 2.575 19.781 ( 0.169 -4.233 0.201) 4.241 19.785 ( -0.184 -3.982 -0.107) 3.988 20.791 ( -0.027 -1.246 0.528) 1.353 20.801 ( 0.004 -1.628 -0.400) 1.677 21.140 ( 0.236 -0.455 0.001) 0.512 21.141 ( -0.222 -0.497 -0.097) 0.552 22.702 ( -0.154 -0.794 1.401) 1.618 22.732 ( 0.149 -2.390 -1.356) 2.752 24.211 ( -0.005 -0.518 0.085) 0.525 24.214 ( 0.015 -0.680 -0.221) 0.715 25.383 ( -0.203 1.438 1.463) 2.061 25.412 ( 0.200 0.130 -1.148) 1.173 25.910 ( -0.338 -0.050 0.720) 0.797 25.929 ( 0.345 -0.901 -0.933) 1.342 27.178 ( 0.128 -0.791 0.402) 0.896 27.190 ( -0.195 -1.088 -0.785) 1.356 27.267 ( 0.812 0.619 2.105) 2.339 27.312 ( -0.941 -0.714 -2.148) 2.451 27.485 ( 1.026 -0.165 1.314) 1.675 27.515 ( -0.900 -1.424 -1.501) 2.256 27.575 ( -0.492 0.782 1.225) 1.535 27.595 ( 0.537 0.125 -0.581) 0.801 28.391 ( -0.017 7.700 0.653) 7.728 28.407 ( 0.055 7.092 -0.741) 7.131 28.646 ( -0.132 2.481 0.627) 2.563 28.659 ( 0.081 1.925 -0.549) 2.004 29.518 ( -0.176 4.700 -0.163) 4.706 29.524 ( 0.164 5.546 -0.578) 5.578 29.589 ( 0.520 1.813 3.289) 3.791 29.657 ( -0.755 -0.380 -3.085) 3.199 29.850 ( 1.236 -0.075 2.112) 2.449 29.905 ( -1.294 0.885 -3.192) 3.556 30.019 ( 0.589 -4.478 1.614) 4.796 30.041 ( -0.137 -3.782 -0.659) 3.841 30.800 ( -0.062 6.560 1.630) 6.759 30.820 ( -0.177 5.475 0.207) 5.482 31.283 ( 0.302 -0.969 1.566) 1.867 31.341 ( -0.178 -2.968 -3.472) 4.571 32.700 ( -0.055 -3.315 1.969) 3.856 32.738 ( -0.480 -2.096 -0.328) 2.175 32.781 ( 0.128 -7.310 2.771) 7.818 32.864 ( 0.405 -7.825 -3.746) 8.685 33.622 ( -1.915 -2.329 0.510) 3.057 33.631 ( 2.103 -2.458 -0.179) 3.239 33.825 ( -1.969 -2.634 0.127) 3.291 33.833 ( 1.779 -2.778 -0.449) 3.329 47.387 ( -0.118 1.234 0.144) 1.248 47.387 ( 0.096 1.217 0.108) 1.225 47.585 ( -0.002 1.409 -0.031) 1.410 47.587 ( 0.024 1.298 -0.221) 1.317 97.412 ( -0.150 3.099 0.115) 3.104 97.415 ( 0.171 3.010 -0.171) 3.019 97.510 ( -0.267 4.207 0.895) 4.309 97.529 ( 0.258 3.333 -0.845) 3.448 98.724 ( -0.001 -0.044 0.599) 0.601 98.738 ( 0.017 -0.574 -0.613) 0.840 99.026 ( 0.275 -6.471 0.122) 6.478 99.029 ( -0.304 -6.787 -0.133) 6.796 ======================= Grid point 105 (53/60) ======================= q-point: (-0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -3.886 7.939 2.312) 9.136 2.005 ( -2.382 15.712 -3.316) 16.233 2.049 ( -1.652 9.169 0.130) 9.317 2.168 ( 2.266 4.981 -2.816) 6.154 2.218 ( 3.586 10.420 0.529) 11.033 2.257 ( -1.514 8.574 2.632) 9.096 2.368 ( -0.482 8.990 -2.157) 9.257 2.409 ( -4.348 1.555 1.725) 4.929 2.545 ( 0.347 3.125 -0.736) 3.230 2.551 ( -0.108 5.384 -1.954) 5.729 2.600 ( 3.658 2.509 1.316) 4.626 2.785 ( 1.328 0.761 -0.075) 1.533 2.799 ( -2.139 -0.991 1.294) 2.689 2.906 ( 0.242 -4.000 0.110) 4.009 3.011 ( -2.919 -2.408 0.456) 3.811 3.047 ( 3.056 -3.214 2.059) 4.890 3.100 ( -0.614 -1.279 2.518) 2.890 3.183 ( 4.378 -2.463 2.497) 5.609 3.318 ( 2.817 3.782 -9.536) 10.638 3.459 ( -0.518 0.121 2.122) 2.188 3.548 ( -1.302 -2.171 -5.474) 6.031 3.588 ( -3.954 -0.191 3.611) 5.358 3.653 ( 3.141 -2.541 -1.445) 4.291 3.706 ( -3.496 1.694 2.510) 4.625 3.757 ( -3.918 0.280 1.661) 4.265 3.827 ( -2.339 -1.596 1.747) 3.327 3.865 ( 0.432 -3.747 0.455) 3.799 3.959 ( 1.203 0.037 -0.567) 1.330 3.969 ( 1.492 1.003 -0.172) 1.806 4.099 ( 2.264 -4.139 0.084) 4.719 4.161 ( -1.273 -3.816 -0.377) 4.041 4.182 ( 0.182 -2.221 -0.419) 2.267 4.247 ( 6.003 2.927 2.017) 6.977 4.336 ( 0.385 -0.443 2.397) 2.468 4.475 ( 0.665 2.395 -1.400) 2.852 4.531 ( 0.930 -0.706 -3.695) 3.875 4.684 ( -4.503 1.976 -1.030) 5.024 4.749 ( -0.727 -1.785 -0.388) 1.966 4.784 ( -1.694 6.705 0.030) 6.916 4.879 ( -2.634 2.761 1.423) 4.073 4.944 ( -1.235 2.756 -0.997) 3.181 4.988 ( -1.738 6.462 -2.939) 7.309 5.018 ( 1.109 2.799 2.229) 3.746 5.132 ( -4.021 3.159 0.060) 5.114 5.165 ( -0.653 2.046 0.882) 2.322 5.209 ( -5.123 2.290 0.324) 5.621 5.274 ( -2.352 4.560 0.899) 5.209 5.410 ( 1.072 3.382 -1.535) 3.866 5.461 ( -0.724 2.681 -0.147) 2.781 5.548 ( -4.542 -0.548 1.052) 4.694 5.565 ( -2.319 2.011 0.658) 3.139 5.643 ( 2.752 0.331 0.134) 2.775 5.688 ( 0.164 0.764 -0.114) 0.790 5.709 ( 1.490 -2.450 -0.294) 2.883 5.805 ( -0.081 -4.243 2.621) 4.988 5.814 ( 1.685 -1.814 -1.250) 2.773 6.043 ( 3.770 0.751 -0.643) 3.897 6.086 ( 2.661 -2.045 -0.548) 3.401 6.091 ( 1.073 -0.748 0.690) 1.479 6.141 ( 2.895 -2.016 -2.829) 4.522 6.282 ( 1.855 4.417 1.394) 4.989 6.448 ( 6.702 0.007 0.143) 6.704 6.627 ( -1.401 -0.834 -0.628) 1.747 6.683 ( 0.518 -1.053 0.175) 1.187 7.003 ( 0.625 -0.007 1.589) 1.708 7.089 ( 2.003 -0.638 -1.256) 2.449 7.188 ( -1.600 -4.839 -2.887) 5.858 7.230 ( 0.421 -3.291 3.120) 4.554 7.435 ( -2.491 0.233 1.058) 2.717 7.494 ( 0.461 -2.921 -2.116) 3.637 7.538 ( -1.821 -2.467 0.366) 3.088 7.567 ( -1.738 -3.041 0.690) 3.569 7.810 ( 2.798 3.709 -0.060) 4.647 7.918 ( 6.984 -1.147 -0.543) 7.098 8.345 ( -5.341 5.556 0.826) 7.751 8.435 ( -2.656 2.125 -0.370) 3.421 8.911 ( 0.017 -2.331 2.830) 3.667 8.986 ( 0.891 -5.656 1.308) 5.873 9.088 ( 0.597 -0.146 -3.641) 3.692 9.121 ( -0.308 -1.686 -5.499) 5.760 9.575 ( -1.359 4.703 7.935) 9.323 9.600 ( -1.146 2.783 6.572) 7.228 9.838 ( 3.179 5.088 -4.341) 7.406 9.880 ( 3.607 3.450 -5.145) 7.168 10.549 ( 0.016 -3.977 1.812) 4.371 10.632 ( 1.263 -9.291 -2.756) 9.773 10.862 ( -6.238 -0.491 -0.974) 6.333 10.957 ( -5.670 -5.783 0.630) 8.124 11.063 ( -0.390 0.956 1.929) 2.188 11.102 ( -0.475 -1.474 -1.622) 2.243 11.164 ( 1.613 -2.610 0.806) 3.173 11.236 ( 1.680 -4.157 0.080) 4.484 11.465 ( 0.859 3.557 0.029) 3.660 11.495 ( 1.774 3.707 -0.332) 4.123 11.631 ( -0.371 -3.532 -0.337) 3.568 11.657 ( 1.240 -4.611 0.275) 4.782 11.925 ( -0.333 -0.012 3.384) 3.400 12.018 ( 1.070 1.055 -3.233) 3.565 12.122 ( -0.208 -5.504 2.607) 6.093 12.185 ( 0.751 -4.539 -2.308) 5.147 12.947 ( -2.143 1.967 0.225) 2.918 12.976 ( -1.292 0.570 0.411) 1.471 13.089 ( -0.187 1.093 -0.171) 1.122 13.140 ( 1.543 -0.872 -0.450) 1.828 13.904 ( -0.280 1.865 -0.106) 1.889 13.939 ( 0.684 0.128 -0.441) 0.824 14.176 ( -0.439 2.515 0.476) 2.597 14.232 ( 1.395 -0.023 0.067) 1.397 14.410 ( 0.469 0.347 -0.229) 0.627 14.425 ( 1.222 -0.412 0.988) 1.625 14.476 ( -0.191 0.899 0.223) 0.946 14.495 ( -0.095 -0.185 -0.931) 0.954 15.349 ( 0.381 1.981 0.175) 2.025 15.370 ( 1.057 1.584 -0.258) 1.922 15.406 ( -0.176 -0.380 0.178) 0.455 15.423 ( 0.353 -0.555 -0.091) 0.664 16.016 ( 2.258 1.755 -0.068) 2.861 16.033 ( 3.120 1.352 0.031) 3.400 16.379 ( -3.749 -2.348 0.106) 4.424 16.397 ( -2.742 -2.431 -0.252) 3.673 16.471 ( 0.151 2.815 -0.258) 2.831 16.478 ( 0.806 2.033 0.544) 2.253 16.628 ( 0.140 -5.002 0.628) 5.043 16.641 ( 0.157 -5.352 -0.744) 5.405 17.576 ( -4.546 3.012 0.018) 5.454 17.746 ( -5.457 -4.148 0.076) 6.855 17.772 ( -4.743 0.972 0.284) 4.849 17.823 ( -3.787 -1.598 -0.866) 4.200 17.931 ( 3.878 5.805 0.553) 7.003 18.166 ( 6.301 -4.252 0.375) 7.611 18.220 ( 5.816 0.122 0.062) 5.817 18.248 ( 7.219 -0.793 -0.446) 7.276 19.606 ( -0.614 2.950 0.782) 3.113 19.623 ( -0.861 2.266 -0.854) 2.570 19.760 ( -2.081 -3.572 -0.103) 4.136 19.768 ( -1.678 -3.911 0.197) 4.260 20.780 ( -1.070 -1.230 0.512) 1.709 20.789 ( -1.063 -1.590 -0.367) 1.947 21.133 ( -0.524 -0.296 -0.130) 0.615 21.141 ( -0.125 -0.677 0.032) 0.689 22.700 ( -0.287 -0.833 1.398) 1.653 22.732 ( 0.059 -2.452 -1.359) 2.804 24.212 ( 0.206 -0.425 0.019) 0.472 24.219 ( 0.388 -0.767 -0.152) 0.872 25.383 ( -0.103 1.510 1.441) 2.090 25.415 ( 0.270 0.065 -1.165) 1.198 25.908 ( -0.040 0.269 0.705) 0.756 25.937 ( 0.626 -1.158 -0.911) 1.601 27.188 ( 0.679 -0.876 0.241) 1.134 27.191 ( 0.475 -0.920 -0.349) 1.092 27.272 ( -0.921 0.334 0.300) 1.025 27.295 ( -0.152 -0.494 -0.128) 0.532 27.489 ( -1.057 -0.600 -1.327) 1.799 27.502 ( 0.116 -1.057 0.781) 1.319 27.566 ( -0.506 1.270 1.312) 1.895 27.603 ( 0.322 -0.357 -0.765) 0.904 28.380 ( -1.079 7.585 0.486) 7.677 28.395 ( -1.037 6.882 -0.595) 6.985 28.652 ( 0.668 2.210 0.468) 2.356 28.672 ( 1.142 1.530 -0.326) 1.937 29.512 ( -0.663 5.138 0.489) 5.204 29.525 ( 0.133 6.306 -0.889) 6.370 29.560 ( -2.074 1.385 0.918) 2.657 29.673 ( 1.225 1.070 -0.413) 1.678 29.860 ( -1.063 1.097 -1.216) 1.952 29.906 ( 2.022 -1.788 0.311) 2.717 30.020 ( -0.581 -4.747 0.548) 4.814 30.036 ( -0.097 -3.659 -0.562) 3.704 30.825 ( 2.240 6.370 1.409) 6.898 30.868 ( 4.857 4.922 0.653) 6.946 31.234 ( -3.845 0.860 -0.123) 3.942 31.350 ( -0.155 -4.981 -1.836) 5.311 32.704 ( 0.135 -3.353 1.989) 3.901 32.732 ( -0.130 -2.200 0.585) 2.280 32.784 ( -0.345 -7.343 1.762) 7.559 32.867 ( 0.729 -7.728 -3.707) 8.602 33.568 ( -2.704 0.753 -0.083) 2.808 33.688 ( 3.017 -4.905 0.296) 5.766 33.771 ( -2.982 0.085 -0.082) 2.984 33.877 ( 2.161 -4.895 -0.151) 5.352 47.383 ( -0.169 1.373 0.136) 1.390 47.389 ( 0.017 1.071 0.114) 1.077 47.584 ( -0.032 1.418 -0.046) 1.419 47.586 ( -0.032 1.310 -0.204) 1.326 97.410 ( -0.038 3.232 0.106) 3.234 97.420 ( 0.304 2.831 -0.205) 2.854 97.510 ( 0.171 4.253 0.959) 4.364 97.539 ( 0.901 2.867 -0.891) 3.135 98.722 ( -0.263 -0.227 0.475) 0.588 98.736 ( -0.033 -0.635 -0.518) 0.820 98.989 ( -2.503 -5.064 0.001) 5.649 99.027 ( -1.067 -6.771 0.042) 6.855 ======================= Grid point 106 (54/60) ======================= q-point: (-0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -2.124 9.789 3.386) 10.573 1.988 ( 1.299 14.348 -3.904) 14.926 2.014 ( -1.819 8.698 -1.831) 9.073 2.148 ( -3.233 2.150 -1.133) 4.045 2.210 ( -2.811 8.107 3.345) 9.209 2.264 ( 3.326 15.430 -1.577) 15.863 2.350 ( -1.162 6.957 -0.352) 7.062 2.422 ( 2.974 1.580 0.548) 3.412 2.552 ( -0.033 1.438 2.310) 2.721 2.581 ( 1.745 6.679 -4.633) 8.314 2.674 ( 2.611 0.272 0.373) 2.652 2.706 ( -5.566 0.134 2.412) 6.068 2.822 ( 3.436 2.253 -1.536) 4.387 2.868 ( -0.133 -2.093 1.626) 2.654 3.030 ( -0.177 1.567 0.505) 1.656 3.083 ( -1.508 1.187 2.393) 3.068 3.095 ( 1.226 -2.161 -0.688) 2.578 3.235 ( 0.142 0.421 -0.081) 0.451 3.314 ( -1.416 1.177 -3.427) 3.890 3.427 ( -2.165 0.151 1.305) 2.532 3.508 ( -3.550 -0.843 -0.406) 3.671 3.559 ( -0.572 -3.118 0.582) 3.223 3.610 ( 0.246 3.459 2.136) 4.073 3.695 ( 1.251 1.205 -2.535) 3.073 3.796 ( 1.823 -1.547 -1.377) 2.759 3.824 ( 3.489 -2.324 1.151) 4.347 3.882 ( -0.321 -8.125 2.155) 8.412 3.950 ( 1.003 2.655 0.029) 2.838 3.991 ( -1.746 0.014 -0.406) 1.793 4.055 ( -3.213 -6.163 -1.448) 7.099 4.188 ( 1.506 -0.765 3.966) 4.310 4.211 ( 2.674 0.075 1.143) 2.909 4.299 ( -3.018 5.308 4.536) 7.607 4.363 ( 3.567 3.838 -0.314) 5.249 4.475 ( -1.163 -0.998 -3.630) 3.941 4.534 ( 0.528 -3.302 -6.148) 6.998 4.625 ( -0.212 3.281 0.895) 3.408 4.749 ( 0.248 1.473 0.978) 1.786 4.772 ( -1.408 7.678 -0.380) 7.815 4.826 ( -1.038 4.080 0.515) 4.242 4.908 ( -2.245 -0.414 -0.709) 2.391 4.948 ( -2.339 2.925 -2.800) 4.676 5.022 ( -3.933 4.355 -0.440) 5.884 5.057 ( 0.475 -1.657 -0.584) 1.819 5.084 ( -0.839 -0.173 0.441) 0.964 5.220 ( -0.092 3.309 4.154) 5.312 5.256 ( 0.678 2.918 -0.067) 2.997 5.403 ( -1.242 1.746 0.138) 2.147 5.438 ( -5.898 -0.603 2.289) 6.355 5.452 ( -0.299 1.030 -1.285) 1.674 5.524 ( -1.425 2.908 -1.457) 3.551 5.647 ( -2.423 -1.907 -3.187) 4.434 5.721 ( -1.289 0.876 2.223) 2.715 5.733 ( 2.014 3.034 0.782) 3.725 5.760 ( 0.975 -2.575 1.871) 3.329 5.861 ( 0.590 -0.794 -0.146) 1.000 6.089 ( 0.760 0.320 -1.468) 1.684 6.103 ( 1.459 -0.343 -1.573) 2.173 6.172 ( 6.531 -2.332 -0.745) 6.975 6.250 ( 5.697 -5.148 0.123) 7.680 6.361 ( 4.685 1.541 2.709) 5.627 6.537 ( 0.962 -4.871 -0.784) 5.026 6.609 ( 0.832 2.435 -0.625) 2.648 6.677 ( -1.140 -0.018 0.401) 1.209 7.021 ( 0.683 1.365 0.471) 1.598 7.091 ( -1.263 0.930 -0.673) 1.707 7.196 ( 1.988 -6.122 -1.808) 6.686 7.221 ( -0.992 -4.358 1.343) 4.667 7.404 ( -0.397 0.537 0.631) 0.919 7.481 ( -3.310 -2.850 0.902) 4.460 7.514 ( -0.436 -5.084 0.230) 5.108 7.527 ( -0.637 -3.735 -0.979) 3.914 7.907 ( 6.777 5.873 -0.240) 8.971 8.060 ( 7.569 -1.184 -0.279) 7.666 8.216 ( -7.838 5.151 0.408) 9.388 8.349 ( -5.957 -0.046 0.085) 5.958 8.925 ( 0.716 -0.485 3.072) 3.191 9.004 ( 0.454 -3.931 2.909) 4.912 9.087 ( -0.205 -0.648 -6.561) 6.596 9.103 ( -0.006 -1.346 -4.867) 5.050 9.571 ( -0.509 3.828 7.295) 8.254 9.593 ( -0.824 2.468 6.254) 6.774 9.901 ( 3.637 5.284 -3.841) 7.477 9.938 ( 2.819 3.750 -4.469) 6.480 10.563 ( 1.013 -3.349 2.078) 4.070 10.654 ( 1.678 -9.510 -1.266) 9.739 10.751 ( -4.586 -2.045 -3.050) 5.875 10.828 ( -7.024 -6.425 0.274) 9.523 11.044 ( -1.302 0.625 2.965) 3.298 11.084 ( -0.789 -0.737 -1.073) 1.522 11.211 ( 2.308 -2.655 0.095) 3.520 11.250 ( -0.146 -3.673 -0.022) 3.676 11.488 ( 1.394 3.627 -0.173) 3.889 11.529 ( 1.286 3.463 -0.797) 3.779 11.628 ( 0.258 -1.818 0.724) 1.974 11.676 ( 0.571 -3.757 -0.172) 3.804 11.932 ( 0.286 -0.894 3.607) 3.727 12.028 ( 0.550 0.348 -3.387) 3.449 12.126 ( 0.025 -4.700 2.837) 5.490 12.194 ( 0.584 -4.375 -2.540) 5.092 12.913 ( -1.120 2.503 0.384) 2.769 12.943 ( -1.831 1.389 0.349) 2.325 13.092 ( 0.316 0.526 0.346) 0.705 13.156 ( 0.210 -1.639 -1.600) 2.300 13.909 ( 0.810 1.859 0.401) 2.067 13.944 ( -0.231 0.229 0.536) 0.627 14.179 ( 0.741 2.799 -0.354) 2.917 14.241 ( -0.687 0.109 -0.504) 0.859 14.424 ( 0.813 0.080 0.414) 0.915 14.444 ( 1.068 -0.679 0.808) 1.501 14.487 ( 0.648 0.688 -1.274) 1.586 14.494 ( 0.079 -0.086 0.530) 0.543 15.362 ( 0.819 1.415 0.006) 1.634 15.390 ( 0.530 1.000 0.094) 1.135 15.401 ( 0.154 0.152 -0.376) 0.434 15.428 ( 0.028 -0.305 0.318) 0.442 16.081 ( 4.347 1.552 -0.072) 4.616 16.112 ( 4.966 0.733 0.089) 5.021 16.289 ( -5.256 -1.222 0.004) 5.396 16.325 ( -4.568 -2.097 -0.101) 5.028 16.466 ( -0.083 3.310 -0.267) 3.321 16.495 ( 0.310 2.273 0.187) 2.301 16.629 ( 0.054 -4.451 0.418) 4.471 16.646 ( 0.290 -4.872 -0.290) 4.890 17.528 ( -0.362 0.953 0.055) 1.021 17.655 ( -3.616 -2.977 0.077) 4.684 17.673 ( -4.956 -1.725 0.810) 5.310 17.685 ( -6.340 -1.981 -1.051) 6.725 18.103 ( 9.764 5.310 0.052) 11.115 18.279 ( 3.439 0.360 0.899) 3.573 18.303 ( 3.322 -2.177 -0.443) 3.996 18.358 ( 3.914 -1.333 -0.313) 4.147 19.592 ( -0.674 2.693 -0.240) 2.786 19.605 ( -0.925 2.386 0.138) 2.563 19.716 ( -2.033 -2.746 0.053) 3.417 19.729 ( -2.024 -3.062 0.077) 3.672 20.758 ( -1.110 -1.177 0.463) 1.683 20.766 ( -1.054 -1.513 -0.304) 1.869 21.124 ( -0.331 -0.227 0.036) 0.403 21.136 ( -0.370 -0.812 -0.131) 0.902 22.697 ( -0.255 -0.909 1.432) 1.716 22.730 ( 0.029 -2.612 -1.405) 2.966 24.218 ( 0.357 -0.406 0.041) 0.542 24.225 ( 0.228 -0.757 -0.171) 0.809 25.385 ( -0.045 1.580 1.482) 2.167 25.417 ( 0.187 0.095 -1.234) 1.251 25.911 ( 0.222 0.416 0.930) 1.043 25.946 ( 0.388 -1.234 -1.147) 1.729 27.196 ( 0.353 -0.678 -0.220) 0.795 27.204 ( 0.287 -0.983 0.250) 1.055 27.258 ( 0.159 0.160 -0.542) 0.587 27.290 ( -0.696 -1.186 0.850) 1.617 27.473 ( -0.199 0.153 -1.123) 1.151 27.494 ( -0.920 -0.514 0.064) 1.056 27.564 ( -0.053 0.919 1.861) 2.076 27.604 ( 0.014 -0.665 -1.043) 1.237 28.361 ( -0.849 7.240 0.353) 7.298 28.372 ( -1.035 6.699 -0.424) 6.792 28.670 ( 0.954 1.531 0.381) 1.843 28.690 ( 0.563 0.770 -0.240) 0.983 29.490 ( -0.963 4.879 0.633) 5.014 29.532 ( -1.010 3.907 -1.146) 4.195 29.547 ( 1.809 6.724 1.083) 7.046 29.676 ( -0.967 1.493 -0.748) 1.930 29.843 ( -0.138 1.095 0.216) 1.125 29.927 ( -0.286 -2.093 -0.577) 2.190 30.016 ( 0.167 -4.523 0.494) 4.553 30.036 ( 0.318 -5.260 -1.075) 5.378 30.889 ( 3.727 6.048 3.326) 7.844 30.994 ( 7.835 1.815 -0.158) 8.044 31.161 ( -3.465 2.333 -1.372) 4.397 31.299 ( -4.971 -5.172 -1.434) 7.316 32.710 ( -0.015 -3.075 2.017) 3.677 32.739 ( 0.674 -3.764 1.933) 4.285 32.775 ( -0.796 -5.799 0.668) 5.891 32.875 ( 0.611 -8.537 -4.066) 9.476 33.532 ( -0.849 3.686 1.077) 3.933 33.687 ( -2.888 -0.251 -4.607) 5.444 33.770 ( 2.548 -3.355 4.807) 6.392 33.905 ( 0.668 -6.254 -1.207) 6.405 47.382 ( -0.006 1.384 0.152) 1.392 47.388 ( -0.153 1.056 0.098) 1.071 47.584 ( -0.020 1.425 -0.070) 1.426 47.585 ( -0.042 1.341 -0.181) 1.354 97.411 ( 0.099 3.288 0.238) 3.298 97.424 ( 0.140 2.794 -0.397) 2.826 97.519 ( 0.386 3.961 1.298) 4.187 97.555 ( 0.796 2.101 -1.219) 2.556 98.719 ( -0.114 -0.521 0.376) 0.652 98.734 ( -0.152 -0.964 -0.443) 1.071 98.947 ( -1.490 -3.228 0.277) 3.566 98.992 ( -2.254 -5.439 -0.168) 5.890 ======================= Grid point 107 (55/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -0.278 -4.839 2.761) 5.578 2.002 ( -0.278 4.839 2.761) 5.578 2.115 ( -0.304 -1.116 -3.949) 4.115 2.115 ( -0.304 1.116 -3.949) 4.115 2.367 ( 1.488 -4.426 1.262) 4.837 2.367 ( 1.488 4.426 1.262) 4.837 2.550 ( -1.026 -3.487 -0.092) 3.636 2.550 ( -1.026 3.487 -0.092) 3.636 2.582 ( -3.543 -2.611 1.177) 4.556 2.582 ( -3.543 2.611 1.177) 4.556 2.638 ( 3.367 -7.225 -2.314) 8.300 2.638 ( 3.367 7.225 -2.314) 8.301 2.894 ( 0.088 -1.775 0.243) 1.794 2.894 ( 0.088 1.775 0.243) 1.794 3.094 ( -0.023 -3.047 1.768) 3.522 3.094 ( -0.023 3.047 1.768) 3.522 3.199 ( 3.897 -6.709 2.629) 8.192 3.199 ( 3.897 6.709 2.629) 8.192 3.293 ( -4.843 -4.739 -4.948) 8.391 3.293 ( -4.843 4.739 -4.948) 8.391 3.468 ( 0.572 -1.110 0.967) 1.579 3.468 ( 0.572 1.110 0.967) 1.579 3.668 ( -0.199 -2.736 0.607) 2.810 3.668 ( -0.199 2.736 0.607) 2.810 3.818 ( 0.862 -0.780 0.426) 1.238 3.818 ( 0.862 0.780 0.426) 1.238 3.857 ( -0.105 -1.863 -0.814) 2.036 3.857 ( -0.105 1.863 -0.814) 2.036 4.019 ( 0.417 -0.045 -0.853) 0.951 4.019 ( 0.417 0.045 -0.853) 0.951 4.253 ( 1.780 -0.689 6.990) 7.246 4.253 ( 1.780 0.689 6.990) 7.246 4.355 ( -2.803 -2.450 -1.551) 4.033 4.355 ( -2.803 2.450 -1.551) 4.033 4.464 ( 0.994 -2.993 -6.480) 7.206 4.464 ( 0.994 2.993 -6.480) 7.206 4.712 ( 1.049 -2.435 1.738) 3.170 4.712 ( 1.049 2.435 1.738) 3.170 4.818 ( -3.218 -2.062 0.287) 3.833 4.818 ( -3.218 2.062 0.287) 3.833 4.959 ( 1.139 -4.809 2.775) 5.668 4.959 ( 1.139 4.809 2.775) 5.668 5.022 ( -0.111 -2.841 -1.488) 3.209 5.022 ( -0.111 2.841 -1.488) 3.210 5.190 ( 1.694 -3.566 -1.402) 4.189 5.190 ( 1.694 3.566 -1.402) 4.189 5.341 ( -2.986 -3.566 2.893) 5.478 5.341 ( -2.986 3.566 2.893) 5.478 5.409 ( 2.719 -3.539 -2.369) 5.053 5.409 ( 2.719 3.539 -2.369) 5.053 5.552 ( -0.958 -0.604 -1.095) 1.576 5.552 ( -0.958 0.604 -1.095) 1.576 5.770 ( 1.499 -0.880 0.546) 1.822 5.770 ( 1.499 0.880 0.546) 1.822 5.823 ( -1.300 -1.313 0.206) 1.859 5.823 ( -1.300 1.313 0.206) 1.859 6.129 ( 0.256 -2.430 -0.064) 2.444 6.129 ( 0.257 2.430 -0.064) 2.444 6.191 ( -0.328 -0.311 0.567) 0.725 6.191 ( -0.328 0.311 0.567) 0.725 6.453 ( 0.304 -1.968 -0.151) 1.997 6.453 ( 0.304 1.968 -0.151) 1.997 6.657 ( -0.274 -0.554 -0.422) 0.748 6.657 ( -0.274 0.554 -0.422) 0.748 7.094 ( -0.328 -1.195 0.409) 1.305 7.094 ( -0.328 1.195 0.409) 1.305 7.128 ( 0.628 -1.292 -0.414) 1.495 7.128 ( 0.628 1.292 -0.414) 1.495 7.423 ( -1.207 -1.292 0.772) 1.929 7.423 ( -1.207 1.292 0.772) 1.929 7.450 ( 1.103 -3.228 -0.722) 3.487 7.450 ( 1.103 3.228 -0.722) 3.487 8.142 ( -1.530 -3.342 1.300) 3.899 8.142 ( -1.530 3.342 1.300) 3.899 8.175 ( 1.471 -4.179 -1.139) 4.574 8.175 ( 1.471 4.179 -1.139) 4.574 8.964 ( -0.224 -1.628 3.807) 4.147 8.964 ( -0.224 1.628 3.807) 4.147 9.074 ( 0.357 -1.241 -6.501) 6.628 9.074 ( 0.357 1.241 -6.501) 6.628 9.615 ( -0.460 -0.261 6.196) 6.218 9.615 ( -0.460 0.261 6.196) 6.218 10.001 ( 0.366 -0.252 -3.751) 3.777 10.001 ( 0.366 0.252 -3.751) 3.777 10.569 ( -0.081 -2.129 1.874) 2.838 10.569 ( -0.081 2.129 1.874) 2.838 10.649 ( -0.030 -0.851 -2.518) 2.658 10.649 ( -0.030 0.851 -2.518) 2.658 11.069 ( 0.052 -1.899 1.059) 2.174 11.069 ( 0.052 1.899 1.059) 2.174 11.199 ( 0.037 -0.993 -0.634) 1.179 11.199 ( 0.037 0.993 -0.634) 1.179 11.578 ( -0.105 -1.500 -0.061) 1.505 11.578 ( -0.105 1.500 -0.061) 1.505 11.618 ( 0.070 -1.473 0.209) 1.489 11.618 ( 0.070 1.473 0.209) 1.489 11.975 ( 0.047 -3.516 2.209) 4.153 11.975 ( 0.047 3.516 2.209) 4.153 12.121 ( -0.062 -2.548 -1.966) 3.219 12.121 ( -0.062 2.548 -1.966) 3.219 12.940 ( 0.078 -0.427 0.646) 0.778 12.940 ( 0.078 0.427 0.646) 0.778 13.113 ( -0.147 -1.244 -0.867) 1.523 13.113 ( -0.147 1.244 -0.867) 1.523 13.946 ( 0.346 -0.036 0.535) 0.638 13.946 ( 0.346 0.036 0.535) 0.638 14.218 ( -0.466 -0.601 -0.760) 1.075 14.218 ( -0.466 0.601 -0.760) 1.075 14.448 ( 0.213 -0.681 1.985) 2.109 14.448 ( 0.213 0.681 1.985) 2.109 14.492 ( -0.027 -0.615 -1.500) 1.621 14.492 ( -0.027 0.615 -1.500) 1.622 15.384 ( -0.077 -0.136 -0.202) 0.255 15.384 ( -0.077 0.136 -0.202) 0.255 15.423 ( 0.088 -0.103 0.200) 0.241 15.423 ( 0.088 0.103 0.200) 0.241 16.197 ( 0.413 -0.700 0.098) 0.819 16.197 ( 0.412 0.700 0.098) 0.819 16.202 ( -0.427 -1.100 -0.108) 1.185 16.202 ( -0.427 1.101 -0.108) 1.185 16.545 ( -0.162 -1.786 0.007) 1.793 16.545 ( -0.162 1.786 0.007) 1.793 16.561 ( 0.161 -2.103 0.007) 2.109 16.561 ( 0.161 2.103 0.007) 2.109 17.557 ( 0.088 -0.982 0.203) 1.007 17.557 ( 0.088 0.982 0.203) 1.007 17.601 ( -0.073 -0.674 -0.242) 0.720 17.601 ( -0.073 0.674 -0.242) 0.720 18.307 ( -0.096 -0.467 0.015) 0.477 18.307 ( -0.096 0.467 0.015) 0.477 18.328 ( 0.090 -1.137 0.047) 1.142 18.328 ( 0.090 1.137 0.047) 1.142 19.635 ( -0.092 -0.434 -0.281) 0.525 19.635 ( -0.092 0.434 -0.281) 0.525 19.656 ( 0.092 -0.497 0.277) 0.577 19.656 ( 0.092 0.497 0.277) 0.577 20.737 ( 0.002 -0.209 0.067) 0.219 20.737 ( 0.002 0.209 0.067) 0.219 21.120 ( -0.003 -0.146 -0.040) 0.151 21.120 ( -0.003 0.146 -0.040) 0.151 22.694 ( -0.007 -0.735 0.018) 0.735 22.694 ( -0.007 0.735 0.018) 0.735 24.219 ( 0.011 -0.110 -0.086) 0.140 24.219 ( 0.011 0.110 -0.086) 0.140 25.411 ( -0.026 -0.782 0.272) 0.829 25.411 ( -0.026 0.782 0.272) 0.829 25.927 ( 0.023 -0.709 -0.254) 0.754 25.927 ( 0.023 0.709 -0.254) 0.754 27.196 ( -0.022 -0.026 0.008) 0.035 27.196 ( -0.022 0.026 0.008) 0.035 27.262 ( -0.043 -0.186 0.111) 0.221 27.262 ( -0.043 0.186 0.111) 0.221 27.481 ( 0.146 -0.103 -0.201) 0.269 27.481 ( 0.146 0.103 -0.201) 0.269 27.582 ( -0.079 -0.950 0.139) 0.964 27.582 ( -0.079 0.950 0.139) 0.964 28.432 ( -0.004 -0.296 0.012) 0.296 28.432 ( -0.004 0.296 0.012) 0.296 28.690 ( -0.002 -0.103 -0.001) 0.103 28.690 ( -0.002 0.103 -0.001) 0.103 29.549 ( 0.014 -0.878 0.273) 0.920 29.549 ( 0.014 0.878 0.273) 0.920 29.667 ( -0.042 -0.356 -0.110) 0.375 29.667 ( -0.042 0.356 -0.110) 0.375 29.904 ( -0.030 -5.286 1.343) 5.454 29.904 ( -0.030 5.286 1.343) 5.454 29.943 ( 0.097 -3.385 -1.897) 3.881 29.943 ( 0.097 3.385 -1.897) 3.881 31.043 ( -0.536 -3.499 2.603) 4.393 31.043 ( -0.536 3.499 2.603) 4.393 31.170 ( 0.558 -2.188 -2.521) 3.385 31.170 ( 0.558 2.188 -2.521) 3.385 32.684 ( -0.252 -1.225 3.272) 3.503 32.684 ( -0.252 1.225 3.272) 3.503 32.753 ( 0.182 -2.476 -3.013) 3.904 32.753 ( 0.182 2.476 -3.013) 3.904 33.624 ( -0.009 -2.930 0.052) 2.931 33.624 ( -0.009 2.930 0.052) 2.931 33.796 ( 0.022 -2.737 -0.046) 2.738 33.796 ( 0.022 2.737 -0.046) 2.738 47.397 ( -0.014 -0.047 0.135) 0.144 47.397 ( -0.014 0.047 0.135) 0.144 47.599 ( 0.014 -0.026 -0.135) 0.138 47.599 ( 0.014 0.026 -0.135) 0.138 97.451 ( 0.003 -0.270 0.027) 0.272 97.451 ( 0.003 0.270 0.027) 0.272 97.572 ( -0.006 -0.795 -0.039) 0.796 97.572 ( -0.006 0.795 -0.039) 0.796 98.715 ( -0.003 -0.321 -0.006) 0.321 98.715 ( -0.003 0.321 -0.006) 0.321 98.913 ( 0.006 -0.414 0.011) 0.414 98.913 ( 0.006 0.414 0.011) 0.414 ======================= Grid point 109 (56/60) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 1.382 -2.886 2.792) 4.247 2.016 ( 1.382 2.886 2.792) 4.247 2.132 ( 2.023 -3.678 -2.814) 5.054 2.132 ( 2.023 3.678 -2.814) 5.054 2.370 ( -1.252 -2.946 -1.485) 3.529 2.370 ( -1.252 2.946 -1.485) 3.529 2.501 ( -1.877 -7.828 -0.253) 8.054 2.501 ( -1.877 7.829 -0.253) 8.054 2.561 ( 0.924 -5.693 3.446) 6.718 2.561 ( 0.924 5.692 3.446) 6.718 2.717 ( 3.264 -5.551 -1.593) 6.633 2.717 ( 3.264 5.551 -1.593) 6.633 2.858 ( -2.746 -2.640 -1.926) 4.269 2.858 ( -2.746 2.641 -1.926) 4.269 3.066 ( -2.468 -2.531 3.040) 4.662 3.066 ( -2.468 2.531 3.040) 4.662 3.175 ( -3.760 -3.175 -0.671) 4.967 3.175 ( -3.760 3.176 -0.671) 4.967 3.322 ( 2.564 -2.999 0.535) 3.981 3.322 ( 2.564 2.999 0.535) 3.982 3.499 ( 4.015 -1.556 -0.354) 4.321 3.499 ( 4.015 1.556 -0.354) 4.321 3.684 ( -0.842 -0.540 0.458) 1.100 3.684 ( -0.842 0.540 0.458) 1.100 3.769 ( -0.365 -6.064 -1.021) 6.160 3.769 ( -0.365 6.064 -1.021) 6.160 3.910 ( 1.009 -1.711 -0.098) 1.989 3.910 ( 1.009 1.711 -0.098) 1.989 4.003 ( 0.092 -2.086 -1.971) 2.872 4.003 ( 0.092 2.087 -1.971) 2.872 4.263 ( -3.755 -1.479 0.889) 4.133 4.263 ( -3.755 1.479 0.889) 4.133 4.299 ( -0.382 -0.603 4.310) 4.369 4.299 ( -0.382 0.603 4.310) 4.369 4.481 ( 0.484 -2.592 -4.494) 5.210 4.481 ( 0.484 2.592 -4.494) 5.210 4.704 ( -2.224 -3.876 -0.450) 4.491 4.704 ( -2.224 3.876 -0.450) 4.491 4.804 ( 2.888 -3.341 2.073) 4.878 4.804 ( 2.888 3.341 2.073) 4.878 4.970 ( 0.971 -3.376 1.617) 3.867 4.970 ( 0.971 3.376 1.617) 3.867 5.074 ( 3.904 -2.134 -0.883) 4.536 5.074 ( 3.904 2.134 -0.883) 4.536 5.209 ( 0.358 -4.500 -1.383) 4.721 5.209 ( 0.358 4.500 -1.383) 4.721 5.346 ( 3.321 -4.891 2.745) 6.518 5.346 ( 3.321 4.891 2.745) 6.518 5.473 ( 3.228 -2.063 -3.767) 5.373 5.473 ( 3.228 2.063 -3.767) 5.373 5.564 ( 2.330 -3.539 1.131) 4.386 5.564 ( 2.330 3.539 1.131) 4.386 5.747 ( -2.661 -0.892 -1.133) 3.027 5.747 ( -2.661 0.892 -1.133) 3.027 5.813 ( -1.230 -2.339 1.811) 3.203 5.813 ( -1.230 2.339 1.811) 3.203 6.076 ( -4.847 -3.535 0.398) 6.012 6.076 ( -4.847 3.535 0.398) 6.012 6.176 ( -0.942 -1.797 -0.960) 2.245 6.176 ( -0.942 1.797 -0.960) 2.245 6.434 ( -2.239 -2.863 -0.062) 3.635 6.434 ( -2.239 2.863 -0.062) 3.635 6.651 ( -0.274 -1.918 0.262) 1.955 6.651 ( -0.274 1.918 0.262) 1.955 7.085 ( -1.159 -3.667 -0.827) 3.934 7.085 ( -1.159 3.667 -0.827) 3.934 7.140 ( 0.895 -4.750 0.482) 4.857 7.140 ( 0.895 4.750 0.482) 4.857 7.421 ( 0.830 -0.905 0.315) 1.267 7.421 ( 0.830 0.905 0.315) 1.267 7.479 ( 1.923 -2.715 -0.108) 3.329 7.479 ( 1.923 2.716 -0.108) 3.329 8.004 ( -7.337 -3.748 0.050) 8.240 8.004 ( -7.337 3.748 0.050) 8.240 8.315 ( 7.466 -3.180 0.013) 8.115 8.315 ( 7.466 3.180 0.013) 8.115 8.944 ( -2.229 -1.009 2.717) 3.657 8.944 ( -2.229 1.009 2.717) 3.657 9.080 ( 1.166 -1.817 -5.165) 5.598 9.080 ( 1.166 1.817 -5.165) 5.598 9.622 ( -0.057 -0.137 6.255) 6.257 9.622 ( -0.057 0.137 6.255) 6.257 9.969 ( -2.658 -0.598 -3.971) 4.816 9.969 ( -2.658 0.598 -3.971) 4.816 10.533 ( -1.952 -0.426 0.272) 2.016 10.533 ( -1.952 0.426 0.272) 2.016 10.733 ( 6.764 -2.030 -0.749) 7.102 10.733 ( 6.764 2.030 -0.749) 7.102 11.081 ( 0.780 -2.644 0.862) 2.888 11.081 ( 0.780 2.644 0.862) 2.888 11.190 ( -0.908 -2.379 -0.652) 2.629 11.190 ( -0.908 2.379 -0.652) 2.629 11.565 ( -1.116 -1.017 0.152) 1.518 11.565 ( -1.116 1.017 0.152) 1.518 11.605 ( -1.310 -0.658 0.012) 1.466 11.605 ( -1.310 0.658 0.012) 1.466 11.981 ( 0.116 -3.067 1.970) 3.647 11.981 ( 0.116 3.067 1.970) 3.647 12.110 ( -0.620 -2.555 -1.721) 3.143 12.110 ( -0.620 2.555 -1.721) 3.143 12.952 ( 0.965 -0.926 0.351) 1.383 12.952 ( 0.965 0.926 0.351) 1.383 13.112 ( 0.125 -0.816 -0.392) 0.914 13.112 ( 0.125 0.816 -0.392) 0.914 13.950 ( -0.034 -0.984 -0.235) 1.013 13.950 ( -0.034 0.984 -0.235) 1.013 14.209 ( -0.423 -1.656 0.310) 1.737 14.209 ( -0.423 1.656 0.310) 1.737 14.435 ( -1.519 -0.517 0.631) 1.724 14.435 ( -1.519 0.517 0.631) 1.724 14.496 ( 0.445 -1.159 -0.633) 1.394 14.496 ( 0.445 1.159 -0.633) 1.394 15.382 ( -0.126 -0.778 -0.005) 0.789 15.382 ( -0.126 0.778 -0.005) 0.789 15.419 ( -0.542 -0.891 -0.017) 1.043 15.419 ( -0.542 0.891 -0.017) 1.043 16.110 ( -4.257 -1.014 -0.010) 4.376 16.110 ( -4.257 1.014 -0.010) 4.376 16.289 ( 4.341 -1.060 0.029) 4.468 16.289 ( 4.341 1.060 0.030) 4.468 16.536 ( -0.679 -3.285 0.165) 3.359 16.536 ( -0.679 3.285 0.165) 3.359 16.563 ( -0.064 -3.101 -0.156) 3.105 16.563 ( -0.064 3.101 -0.156) 3.105 17.574 ( 2.401 -3.397 0.004) 4.160 17.574 ( 2.401 3.397 0.004) 4.160 17.667 ( 5.927 -0.560 -0.074) 5.954 17.667 ( 5.927 0.560 -0.074) 5.954 18.206 ( -7.585 -4.858 0.106) 9.008 18.206 ( -7.585 4.858 0.106) 9.008 18.327 ( -2.549 -0.883 -0.033) 2.698 18.327 ( -2.549 0.883 -0.033) 2.698 19.646 ( 1.158 -1.880 -0.058) 2.209 19.646 ( 1.158 1.880 -0.058) 2.209 19.670 ( 1.218 -1.468 0.057) 1.908 19.670 ( 1.218 1.468 0.057) 1.908 20.748 ( 1.042 -0.245 0.052) 1.071 20.748 ( 1.042 0.245 0.052) 1.071 21.124 ( 0.378 -0.121 -0.031) 0.398 21.124 ( 0.378 0.121 -0.031) 0.398 22.695 ( 0.157 -0.705 0.029) 0.723 22.695 ( 0.157 0.705 0.029) 0.723 24.216 ( -0.285 -0.183 -0.092) 0.350 24.216 ( -0.285 0.183 -0.092) 0.350 25.410 ( -0.139 -0.720 0.262) 0.778 25.410 ( -0.139 0.720 0.262) 0.778 25.924 ( -0.290 -0.458 -0.235) 0.591 25.924 ( -0.290 0.458 -0.235) 0.591 27.191 ( -0.471 -0.337 0.008) 0.579 27.191 ( -0.471 0.337 0.008) 0.579 27.267 ( 0.534 -1.540 0.164) 1.638 27.267 ( 0.534 1.540 0.164) 1.638 27.486 ( 0.373 -0.923 -0.377) 1.064 27.486 ( 0.373 0.923 -0.377) 1.064 27.583 ( 0.115 -0.692 0.246) 0.743 27.583 ( 0.115 0.692 0.246) 0.743 28.443 ( 1.055 -0.412 0.002) 1.133 28.443 ( 1.055 0.412 0.002) 1.133 28.686 ( -0.397 -0.569 0.019) 0.694 28.686 ( -0.397 0.569 0.019) 0.694 29.553 ( 0.385 -1.179 0.247) 1.264 29.553 ( 0.385 1.179 0.247) 1.264 29.661 ( -0.648 -2.802 -0.167) 2.881 29.661 ( -0.648 2.802 -0.167) 2.881 29.897 ( -0.618 -4.728 1.087) 4.891 29.897 ( -0.618 4.728 1.087) 4.891 29.953 ( 1.068 -3.105 -1.577) 3.643 29.953 ( 1.068 3.105 -1.578) 3.643 30.981 ( -4.600 -0.868 1.667) 4.969 30.981 ( -4.600 0.868 1.667) 4.969 31.222 ( 3.602 -4.019 -1.604) 5.630 31.222 ( 3.602 4.019 -1.604) 5.630 32.685 ( -0.296 -1.882 3.215) 3.738 32.685 ( -0.296 1.882 3.215) 3.738 32.750 ( 0.124 -2.186 -2.902) 3.635 32.750 ( 0.124 2.186 -2.902) 3.635 33.617 ( -0.587 -0.735 0.071) 0.943 33.617 ( -0.587 0.735 0.071) 0.943 33.799 ( 0.214 -0.420 -0.087) 0.479 33.799 ( 0.214 0.420 -0.087) 0.479 47.398 ( 0.054 -0.130 0.136) 0.196 47.398 ( 0.054 0.130 0.136) 0.196 47.599 ( 0.048 -0.033 -0.136) 0.148 47.599 ( 0.048 0.033 -0.136) 0.148 97.450 ( -0.125 -0.133 0.015) 0.183 97.450 ( -0.125 0.133 0.015) 0.183 97.568 ( -0.313 -0.575 -0.020) 0.655 97.568 ( -0.313 0.575 -0.020) 0.655 98.719 ( 0.348 -0.487 -0.001) 0.599 98.719 ( 0.348 0.487 -0.001) 0.599 98.924 ( 1.024 -0.944 -0.001) 1.393 98.924 ( 1.024 0.944 -0.001) 1.393 ======================= Grid point 111 (57/60) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.261 -1.860 2.322) 3.231 2.052 ( 1.261 1.860 2.322) 3.231 2.167 ( 2.013 -3.619 -1.009) 4.262 2.167 ( 2.013 3.620 -1.009) 4.263 2.354 ( 0.357 -2.695 -1.272) 3.002 2.354 ( 0.357 2.696 -1.272) 3.002 2.484 ( -0.122 -9.118 -0.132) 9.119 2.484 ( -0.122 9.118 -0.132) 9.120 2.585 ( 0.437 -4.883 0.970) 4.997 2.585 ( 0.437 4.883 0.970) 4.997 2.754 ( 1.320 -7.756 -1.062) 7.939 2.754 ( 1.320 7.756 -1.062) 7.939 2.829 ( 0.428 -1.901 -1.454) 2.431 2.829 ( 0.428 1.901 -1.454) 2.431 2.998 ( -5.815 -5.495 0.131) 8.002 2.998 ( -5.815 5.495 0.131) 8.002 3.123 ( -0.910 -1.322 4.201) 4.497 3.123 ( -0.910 1.322 4.201) 4.497 3.305 ( -2.656 -3.530 -1.551) 4.682 3.305 ( -2.656 3.530 -1.551) 4.682 3.585 ( 2.105 -2.746 -0.633) 3.517 3.585 ( 2.105 2.746 -0.633) 3.518 3.677 ( 2.615 -2.917 -0.469) 3.945 3.677 ( 2.615 2.917 -0.469) 3.946 3.802 ( 1.803 -2.548 0.037) 3.122 3.802 ( 1.803 2.548 0.037) 3.122 3.883 ( -1.289 -2.588 -1.913) 3.467 3.883 ( -1.289 2.588 -1.913) 3.467 4.022 ( -0.309 -1.831 1.169) 2.194 4.022 ( -0.309 1.831 1.169) 2.194 4.174 ( -3.246 -2.081 -0.914) 3.963 4.174 ( -3.246 2.081 -0.914) 3.963 4.295 ( -2.254 -0.854 3.195) 4.003 4.295 ( -2.254 0.854 3.195) 4.003 4.481 ( 0.980 -2.701 -1.689) 3.333 4.481 ( 0.980 2.701 -1.689) 3.333 4.690 ( 1.372 -4.341 0.725) 4.610 4.690 ( 1.372 4.341 0.726) 4.610 4.885 ( 4.512 -2.743 -1.820) 5.586 4.885 ( 4.512 2.744 -1.820) 5.586 5.000 ( 0.555 -1.104 3.057) 3.298 5.000 ( 0.555 1.104 3.057) 3.298 5.134 ( 2.166 -1.128 -2.133) 3.243 5.134 ( 2.166 1.128 -2.133) 3.243 5.231 ( 2.326 -3.182 1.022) 4.071 5.231 ( 2.326 3.182 1.022) 4.071 5.424 ( 3.468 -4.830 0.909) 6.016 5.424 ( 3.468 4.831 0.909) 6.016 5.505 ( 0.887 -4.541 -2.396) 5.211 5.505 ( 0.887 4.541 -2.396) 5.211 5.602 ( -0.784 -2.769 1.101) 3.081 5.602 ( -0.784 2.769 1.101) 3.081 5.712 ( -0.220 -3.159 -0.503) 3.207 5.712 ( -0.220 3.159 -0.503) 3.207 5.762 ( -2.674 -4.311 0.399) 5.089 5.762 ( -2.674 4.312 0.399) 5.089 5.998 ( -2.602 -1.121 2.518) 3.790 5.998 ( -2.602 1.121 2.518) 3.790 6.155 ( -1.014 -1.069 -3.477) 3.776 6.155 ( -1.014 1.069 -3.477) 3.776 6.388 ( -1.803 -4.686 0.516) 5.047 6.388 ( -1.803 4.686 0.516) 5.047 6.640 ( -1.055 -4.055 0.314) 4.202 6.640 ( -1.055 4.055 0.314) 4.202 7.049 ( -1.881 -1.217 -0.788) 2.375 7.049 ( -1.881 1.217 -0.788) 2.375 7.156 ( 0.308 -4.955 0.844) 5.036 7.156 ( 0.308 4.955 0.844) 5.036 7.452 ( 2.211 -0.764 -0.368) 2.368 7.452 ( 2.211 0.764 -0.368) 2.368 7.518 ( 1.775 -1.244 0.325) 2.192 7.518 ( 1.775 1.245 0.325) 2.192 7.880 ( -5.207 -2.798 -0.133) 5.913 7.880 ( -5.207 2.798 -0.133) 5.913 8.435 ( 4.601 -1.488 0.179) 4.838 8.435 ( 4.601 1.488 0.179) 4.838 8.905 ( -1.919 -0.762 1.873) 2.788 8.905 ( -1.919 0.762 1.873) 2.788 9.091 ( 0.866 -1.587 -4.166) 4.541 9.091 ( 0.866 1.587 -4.166) 4.541 9.635 ( 0.006 -0.276 7.048) 7.054 9.635 ( 0.006 0.276 7.048) 7.054 9.905 ( -2.569 -0.755 -4.792) 5.490 9.905 ( -2.569 0.755 -4.792) 5.490 10.510 ( -0.548 -0.832 -0.260) 1.030 10.510 ( -0.548 0.832 -0.260) 1.030 10.867 ( 6.597 -2.378 -0.126) 7.014 10.867 ( 6.597 2.378 -0.126) 7.014 11.093 ( 0.053 -3.258 0.911) 3.383 11.093 ( 0.053 3.258 0.911) 3.383 11.162 ( -1.636 -3.418 -0.937) 3.904 11.162 ( -1.636 3.418 -0.937) 3.904 11.544 ( -0.843 -2.268 0.364) 2.447 11.544 ( -0.843 2.268 0.364) 2.447 11.575 ( -1.572 -1.913 -0.210) 2.485 11.575 ( -1.572 1.914 -0.210) 2.485 11.987 ( 0.058 -3.382 2.063) 3.962 11.987 ( 0.058 3.382 2.063) 3.962 12.094 ( -0.561 -2.969 -1.815) 3.524 12.094 ( -0.561 2.969 -1.815) 3.524 12.975 ( 1.248 -0.955 0.260) 1.592 12.975 ( 1.248 0.955 0.260) 1.592 13.112 ( -0.138 -0.946 -0.076) 0.959 13.112 ( -0.138 0.946 -0.076) 0.959 13.944 ( -0.407 -1.114 -1.001) 1.552 13.944 ( -0.407 1.114 -1.001) 1.552 14.204 ( -0.246 -2.079 1.155) 2.391 14.204 ( -0.246 2.079 1.155) 2.391 14.410 ( -0.882 -0.823 0.479) 1.298 14.410 ( -0.882 0.823 0.479) 1.298 14.501 ( 0.109 -0.844 -0.751) 1.135 14.501 ( 0.109 0.844 -0.751) 1.135 15.380 ( -0.062 -1.279 0.261) 1.306 15.380 ( -0.062 1.279 0.261) 1.307 15.406 ( -0.681 -1.504 -0.307) 1.679 15.406 ( -0.681 1.504 -0.307) 1.679 16.043 ( -2.470 -0.522 0.012) 2.525 16.043 ( -2.470 0.522 0.012) 2.525 16.359 ( 2.723 -0.569 0.023) 2.782 16.359 ( 2.723 0.569 0.023) 2.782 16.525 ( -0.467 -3.987 0.591) 4.058 16.525 ( -0.467 3.987 0.591) 4.058 16.557 ( -0.414 -3.615 -0.600) 3.687 16.557 ( -0.414 3.615 -0.600) 3.687 17.654 ( 5.791 -4.460 0.008) 7.310 17.654 ( 5.791 4.460 0.008) 7.310 17.793 ( 5.707 -1.146 -0.135) 5.822 17.793 ( 5.707 1.146 -0.135) 5.822 18.057 ( -6.402 -5.903 0.219) 8.711 18.057 ( -6.402 5.903 0.219) 8.711 18.232 ( -6.844 -0.281 -0.081) 6.850 18.232 ( -6.844 0.282 -0.081) 6.850 19.672 ( 1.248 -3.410 0.205) 3.637 19.672 ( 1.248 3.410 0.205) 3.637 19.694 ( 1.048 -2.719 -0.203) 2.921 19.694 ( 1.048 2.719 -0.203) 2.921 20.770 ( 1.016 -0.285 0.043) 1.057 20.770 ( 1.016 0.285 0.043) 1.057 21.132 ( 0.354 -0.184 -0.028) 0.400 21.132 ( 0.354 0.184 -0.028) 0.400 22.699 ( 0.163 -0.694 0.043) 0.714 22.699 ( 0.163 0.694 0.043) 0.714 24.210 ( -0.293 -0.168 -0.098) 0.351 24.210 ( -0.293 0.168 -0.098) 0.351 25.407 ( -0.139 -0.686 0.241) 0.740 25.407 ( -0.139 0.686 0.241) 0.740 25.918 ( -0.284 -0.335 -0.198) 0.482 25.918 ( -0.284 0.335 -0.198) 0.482 27.180 ( -0.555 -0.478 -0.008) 0.732 27.180 ( -0.555 0.478 -0.008) 0.732 27.281 ( 0.694 -2.020 0.215) 2.147 27.281 ( 0.694 2.020 0.215) 2.147 27.491 ( 0.201 -1.421 -0.557) 1.540 27.491 ( 0.201 1.421 -0.557) 1.540 27.587 ( 0.197 -0.412 0.376) 0.591 27.587 ( 0.197 0.412 0.376) 0.591 28.467 ( 1.245 -0.443 -0.005) 1.322 28.467 ( 1.245 0.443 -0.005) 1.322 28.676 ( -0.586 -0.611 0.016) 0.847 28.676 ( -0.586 0.611 0.016) 0.847 29.567 ( 1.041 -1.034 0.429) 1.528 29.567 ( 1.041 1.034 0.429) 1.528 29.640 ( -1.460 -4.106 -0.480) 4.384 29.640 ( -1.460 4.106 -0.480) 4.384 29.891 ( -0.230 -4.311 1.009) 4.434 29.891 ( -0.230 4.311 1.009) 4.434 29.971 ( 0.949 -2.564 -1.383) 3.063 29.971 ( 0.949 2.564 -1.383) 3.063 30.906 ( -3.130 -0.437 1.310) 3.421 30.906 ( -3.130 0.437 1.310) 3.421 31.274 ( 1.973 -3.383 -1.237) 4.107 31.274 ( 1.973 3.383 -1.237) 4.107 32.684 ( -0.326 -1.993 2.978) 3.598 32.684 ( -0.326 1.993 2.978) 3.598 32.748 ( 0.194 -2.621 -2.654) 3.735 32.748 ( 0.194 2.621 -2.654) 3.735 33.606 ( -0.456 -1.381 0.170) 1.464 33.606 ( -0.456 1.381 0.170) 1.464 33.802 ( 0.107 -1.070 -0.184) 1.091 33.802 ( 0.107 1.070 -0.184) 1.091 47.399 ( 0.054 -0.124 0.137) 0.192 47.399 ( 0.054 0.124 0.137) 0.192 47.600 ( 0.047 -0.043 -0.136) 0.150 47.600 ( 0.047 0.043 -0.136) 0.150 97.448 ( -0.122 -0.069 0.007) 0.141 97.448 ( -0.122 0.069 0.007) 0.141 97.562 ( -0.304 -0.428 -0.006) 0.525 97.562 ( -0.304 0.428 -0.006) 0.525 98.726 ( 0.352 -0.493 0.008) 0.606 98.726 ( 0.352 0.493 0.008) 0.606 98.945 ( 0.997 -0.922 -0.015) 1.359 98.945 ( 0.997 0.922 -0.015) 1.359 ======================= Grid point 113 (58/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -1.034 -3.038 2.387) 4.000 2.059 ( -1.034 3.038 2.387) 4.000 2.210 ( 2.639 -0.939 -1.930) 3.401 2.210 ( 2.639 0.939 -1.930) 3.401 2.354 ( -1.003 -3.295 0.172) 3.448 2.354 ( -1.003 3.295 0.172) 3.448 2.501 ( 1.718 -7.095 2.432) 7.694 2.501 ( 1.717 7.095 2.432) 7.694 2.564 ( -2.507 -3.126 -3.272) 5.173 2.564 ( -2.507 3.127 -3.272) 5.173 2.790 ( 2.068 -4.208 -0.386) 4.705 2.790 ( 2.068 4.209 -0.386) 4.705 2.841 ( -1.737 -1.362 0.294) 2.227 2.841 ( -1.737 1.362 0.294) 2.227 2.887 ( -0.981 -4.671 -1.636) 5.046 2.887 ( -0.981 4.671 -1.636) 5.046 3.122 ( -1.999 -0.673 8.548) 8.805 3.122 ( -1.999 0.673 8.548) 8.805 3.305 ( 5.242 -1.452 -8.985) 10.504 3.305 ( 5.242 1.452 -8.985) 10.504 3.584 ( -2.067 -0.842 2.289) 3.197 3.584 ( -2.067 0.842 2.289) 3.197 3.719 ( -0.870 -0.702 -0.180) 1.132 3.719 ( -0.870 0.702 -0.181) 1.132 3.788 ( 1.233 -2.146 -0.731) 2.581 3.788 ( 1.233 2.146 -0.731) 2.581 3.892 ( -1.877 -0.615 0.942) 2.188 3.892 ( -1.877 0.616 0.942) 2.188 4.010 ( 1.037 -1.319 0.943) 1.924 4.010 ( 1.037 1.319 0.943) 1.924 4.144 ( -0.701 -0.837 -0.959) 1.453 4.144 ( -0.701 0.837 -0.959) 1.454 4.261 ( -0.151 -2.113 1.570) 2.637 4.261 ( -0.151 2.113 1.570) 2.637 4.499 ( 0.990 -0.689 -2.305) 2.601 4.499 ( 0.990 0.689 -2.305) 2.601 4.735 ( 1.474 -2.328 1.865) 3.327 4.735 ( 1.474 2.328 1.865) 3.327 4.920 ( -2.232 -0.900 -1.115) 2.652 4.920 ( -2.232 0.900 -1.115) 2.652 5.011 ( 1.648 -1.253 1.406) 2.502 5.011 ( 1.648 1.253 1.406) 2.502 5.137 ( -0.613 -1.483 -2.724) 3.162 5.137 ( -0.613 1.483 -2.724) 3.162 5.279 ( 0.385 -2.088 1.846) 2.813 5.279 ( 0.385 2.088 1.846) 2.814 5.442 ( -2.102 -4.942 0.120) 5.372 5.442 ( -2.102 4.942 0.120) 5.371 5.537 ( 3.503 -4.535 0.685) 5.771 5.537 ( 3.503 4.535 0.685) 5.772 5.553 ( -2.031 -1.579 -0.526) 2.626 5.553 ( -2.031 1.579 -0.526) 2.626 5.707 ( -0.411 -2.232 0.791) 2.403 5.707 ( -0.411 2.232 0.791) 2.403 5.745 ( -0.320 -3.493 -1.602) 3.856 5.745 ( -0.320 3.493 -1.602) 3.856 6.005 ( 2.225 -1.185 4.736) 5.365 6.005 ( 2.225 1.185 4.736) 5.365 6.117 ( -1.725 -2.313 -5.307) 6.041 6.117 ( -1.725 2.313 -5.307) 6.041 6.377 ( 0.180 -1.189 0.620) 1.353 6.377 ( 0.180 1.189 0.620) 1.353 6.626 ( 0.124 -2.443 -0.060) 2.446 6.626 ( 0.124 2.443 -0.060) 2.447 7.025 ( -0.368 -1.439 0.039) 1.486 7.025 ( -0.368 1.439 0.039) 1.486 7.160 ( 0.258 -1.907 0.369) 1.960 7.160 ( 0.258 1.907 0.369) 1.960 7.479 ( -0.247 -1.112 -0.097) 1.143 7.479 ( -0.247 1.112 -0.097) 1.143 7.539 ( 0.447 -0.447 -0.355) 0.725 7.539 ( 0.447 0.447 -0.355) 0.725 7.823 ( -0.135 -0.383 0.127) 0.425 7.823 ( -0.135 0.383 0.127) 0.425 8.480 ( -0.084 -0.802 0.282) 0.854 8.480 ( -0.084 0.802 0.282) 0.854 8.887 ( -0.124 -1.211 1.678) 2.073 8.887 ( -0.124 1.211 1.678) 2.073 9.097 ( 0.495 -1.225 -4.073) 4.282 9.097 ( 0.495 1.225 -4.073) 4.282 9.642 ( -0.919 -0.254 7.927) 7.984 9.642 ( -0.919 0.254 7.927) 7.984 9.873 ( 0.562 -0.890 -5.553) 5.652 9.873 ( 0.562 0.890 -5.553) 5.652 10.506 ( 0.085 -1.304 -0.422) 1.373 10.506 ( 0.085 1.304 -0.422) 1.373 10.946 ( 0.035 -0.300 0.102) 0.319 10.946 ( 0.035 0.300 0.102) 0.319 11.090 ( 0.572 -2.720 0.643) 2.853 11.090 ( 0.572 2.720 0.643) 2.853 11.137 ( -0.649 -1.409 -0.794) 1.743 11.137 ( -0.649 1.409 -0.794) 1.743 11.539 ( 0.087 -3.740 0.524) 3.778 11.539 ( 0.087 3.740 0.524) 3.778 11.556 ( -0.051 -3.313 -0.416) 3.339 11.556 ( -0.051 3.313 -0.416) 3.339 11.988 ( -0.418 -4.059 2.402) 4.735 11.988 ( -0.418 4.059 2.402) 4.735 12.087 ( 0.365 -3.432 -2.138) 4.060 12.087 ( 0.365 3.433 -2.138) 4.060 12.991 ( 0.001 -0.161 0.334) 0.370 12.991 ( 0.001 0.161 0.334) 0.370 13.110 ( 0.095 -0.140 -0.130) 0.214 13.110 ( 0.095 0.140 -0.130) 0.214 13.934 ( -0.295 -0.528 -0.941) 1.119 13.934 ( -0.295 0.528 -0.941) 1.119 14.205 ( 0.262 -1.161 1.001) 1.556 14.205 ( 0.262 1.161 1.001) 1.556 14.406 ( 0.288 -0.441 0.689) 0.867 14.406 ( 0.288 0.442 0.689) 0.867 14.496 ( -0.329 -0.383 -0.874) 1.010 14.496 ( -0.329 0.383 -0.874) 1.010 15.382 ( 0.156 -1.404 0.494) 1.496 15.382 ( 0.156 1.404 0.494) 1.496 15.396 ( -0.163 -1.604 -0.543) 1.701 15.396 ( -0.163 1.604 -0.543) 1.701 16.019 ( 0.007 -0.076 0.017) 0.078 16.019 ( 0.007 0.076 0.017) 0.078 16.386 ( -0.003 -0.042 -0.008) 0.043 16.386 ( -0.002 0.042 -0.008) 0.043 16.524 ( 0.315 -3.988 1.025) 4.130 16.524 ( 0.315 3.988 1.025) 4.130 16.548 ( -0.320 -3.873 -1.015) 4.016 16.548 ( -0.320 3.873 -1.015) 4.016 17.763 ( -0.286 -2.235 0.344) 2.280 17.763 ( -0.286 2.236 0.344) 2.280 17.798 ( 0.380 -1.877 -0.562) 1.995 17.798 ( 0.380 1.877 -0.562) 1.995 18.039 ( -0.179 -0.618 0.607) 0.884 18.039 ( -0.179 0.618 0.607) 0.884 18.117 ( 0.088 -0.253 -0.371) 0.457 18.117 ( 0.089 0.253 -0.371) 0.457 19.687 ( 0.197 -3.653 0.353) 3.675 19.687 ( 0.197 3.653 0.353) 3.675 19.702 ( -0.196 -3.017 -0.350) 3.044 19.702 ( -0.196 3.017 -0.350) 3.044 20.781 ( -0.011 -0.278 0.046) 0.282 20.781 ( -0.011 0.278 0.046) 0.282 21.135 ( 0.007 -0.030 -0.033) 0.045 21.135 ( 0.007 0.030 -0.033) 0.045 22.701 ( 0.001 -0.709 0.045) 0.710 22.701 ( 0.001 0.709 0.045) 0.710 24.206 ( 0.006 -0.086 -0.098) 0.130 24.206 ( 0.006 0.086 -0.098) 0.130 25.406 ( -0.023 -0.727 0.230) 0.763 25.406 ( -0.023 0.727 0.230) 0.763 25.914 ( 0.020 -0.455 -0.182) 0.490 25.914 ( 0.020 0.455 -0.182) 0.490 27.174 ( 0.013 -0.363 -0.020) 0.364 27.174 ( 0.013 0.363 -0.020) 0.364 27.289 ( 0.047 -1.333 0.192) 1.348 27.289 ( 0.046 1.333 0.192) 1.348 27.490 ( -0.124 -0.808 -0.511) 0.964 27.490 ( -0.124 0.808 -0.511) 0.964 27.590 ( 0.056 -0.550 0.363) 0.662 27.590 ( 0.056 0.550 0.363) 0.662 28.481 ( 0.024 -0.414 -0.016) 0.415 28.481 ( 0.024 0.414 -0.016) 0.415 28.669 ( -0.031 -0.330 0.019) 0.332 28.669 ( -0.031 0.330 0.019) 0.332 29.586 ( -0.040 -1.855 1.246) 2.235 29.586 ( -0.040 1.855 1.246) 2.235 29.615 ( 0.058 -3.346 -1.342) 3.606 29.615 ( 0.058 3.346 -1.343) 3.606 29.890 ( -0.151 -3.036 1.012) 3.204 29.890 ( -0.151 3.036 1.012) 3.204 29.980 ( 0.191 -1.794 -1.352) 2.254 29.980 ( 0.191 1.794 -1.352) 2.254 30.877 ( -0.034 -0.507 1.196) 1.300 30.877 ( -0.034 0.507 1.196) 1.300 31.291 ( -0.013 -1.614 -1.087) 1.946 31.291 ( -0.013 1.614 -1.087) 1.946 32.683 ( -0.331 -1.952 2.819) 3.444 32.683 ( -0.331 1.952 2.819) 3.444 32.748 ( 0.337 -3.115 -2.529) 4.026 32.748 ( 0.337 3.115 -2.529) 4.026 33.602 ( 0.015 -0.321 0.215) 0.387 33.602 ( 0.015 0.321 0.215) 0.387 33.802 ( -0.018 -0.256 -0.216) 0.335 33.802 ( -0.018 0.256 -0.216) 0.335 47.400 ( -0.012 -0.012 0.136) 0.137 47.400 ( -0.012 0.012 0.136) 0.137 47.600 ( 0.013 -0.050 -0.136) 0.145 47.600 ( 0.013 0.050 -0.136) 0.145 97.446 ( -0.004 -0.091 0.008) 0.091 97.446 ( -0.004 0.091 0.008) 0.091 97.559 ( 0.006 -0.477 -0.008) 0.477 97.559 ( 0.006 0.477 -0.008) 0.477 98.730 ( 0.005 -0.365 0.008) 0.365 98.730 ( 0.005 0.365 0.008) 0.365 98.955 ( -0.007 -0.036 -0.014) 0.040 98.955 ( -0.007 0.037 -0.014) 0.040 ======================= Grid point 115 (59/60) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -1.839 -4.355 2.504) 5.350 2.032 ( -1.839 4.356 2.504) 5.350 2.240 ( -0.152 -1.651 -5.176) 5.435 2.240 ( -0.152 1.651 -5.176) 5.435 2.319 ( -1.602 -2.367 1.576) 3.264 2.319 ( -1.602 2.368 1.576) 3.264 2.494 ( -1.640 -4.397 -0.959) 4.790 2.494 ( -1.640 4.397 -0.959) 4.790 2.569 ( 2.845 -6.784 2.127) 7.658 2.569 ( 2.845 6.785 2.127) 7.658 2.762 ( -2.095 -4.613 -1.488) 5.281 2.762 ( -2.095 4.613 -1.488) 5.281 2.804 ( -1.537 -4.140 0.287) 4.426 2.804 ( -1.537 4.140 0.287) 4.426 2.973 ( 5.631 -1.319 1.910) 6.091 2.973 ( 5.631 1.319 1.910) 6.091 3.113 ( 0.951 -2.816 2.920) 4.166 3.113 ( 0.951 2.816 2.920) 4.166 3.411 ( 4.713 -4.971 -8.036) 10.559 3.411 ( 4.713 4.971 -8.036) 10.560 3.536 ( -2.505 -3.159 3.670) 5.452 3.536 ( -2.505 3.159 3.670) 5.452 3.678 ( -1.465 -3.736 -0.727) 4.079 3.678 ( -1.465 3.736 -0.727) 4.079 3.790 ( -5.392 -3.610 1.326) 6.623 3.790 ( -5.392 3.610 1.326) 6.623 3.868 ( 4.220 -4.644 -1.076) 6.366 3.868 ( 4.220 4.644 -1.076) 6.366 4.018 ( -2.458 -2.162 1.404) 3.562 4.018 ( -2.458 2.162 1.404) 3.562 4.147 ( 1.863 -1.386 0.942) 2.506 4.147 ( 1.863 1.386 0.942) 2.506 4.311 ( 3.964 -2.127 1.458) 4.729 4.311 ( 3.964 2.127 1.458) 4.729 4.513 ( 0.883 -1.410 -3.246) 3.647 4.513 ( 0.883 1.410 -3.246) 3.647 4.701 ( -4.210 -1.268 0.109) 4.398 4.701 ( -4.210 1.269 0.109) 4.398 4.880 ( -0.337 -1.966 -1.211) 2.334 4.880 ( -0.337 1.966 -1.211) 2.334 5.016 ( -2.248 -1.841 2.273) 3.689 5.016 ( -2.248 1.841 2.273) 3.689 5.113 ( -2.203 -3.438 -1.452) 4.333 5.113 ( -2.203 3.438 -1.452) 4.333 5.232 ( -3.536 -1.926 0.974) 4.143 5.232 ( -3.536 1.926 0.974) 4.143 5.394 ( -2.547 -6.426 1.891) 7.167 5.394 ( -2.547 6.426 1.891) 7.167 5.520 ( -2.105 -2.850 -2.207) 4.175 5.520 ( -2.105 2.851 -2.207) 4.175 5.620 ( 3.350 -4.354 -0.324) 5.504 5.620 ( 3.350 4.354 -0.324) 5.504 5.680 ( -2.007 -4.711 1.471) 5.328 5.680 ( -2.007 4.711 1.471) 5.328 5.771 ( 3.479 -3.117 0.023) 4.671 5.771 ( 3.479 3.117 0.023) 4.671 6.057 ( 1.627 -1.586 1.669) 2.819 6.057 ( 1.627 1.586 1.669) 2.819 6.101 ( 1.858 -1.912 -2.923) 3.957 6.101 ( 1.858 1.912 -2.923) 3.957 6.393 ( 1.588 -5.265 0.171) 5.502 6.393 ( 1.588 5.265 0.171) 5.502 6.644 ( 1.240 -2.301 0.044) 2.614 6.644 ( 1.240 2.301 0.044) 2.614 7.039 ( 1.758 -3.378 -0.090) 3.810 7.039 ( 1.758 3.378 -0.090) 3.810 7.162 ( -0.557 -2.332 0.410) 2.433 7.162 ( -0.557 2.332 0.410) 2.433 7.451 ( -1.645 -1.303 -0.309) 2.121 7.451 ( -1.645 1.303 -0.309) 2.122 7.522 ( -2.229 -1.048 0.023) 2.464 7.522 ( -2.229 1.048 0.023) 2.464 7.879 ( 5.401 -2.695 -0.061) 6.036 7.879 ( 5.401 2.695 -0.061) 6.036 8.433 ( -4.727 -2.446 0.295) 5.330 8.433 ( -4.727 2.446 0.295) 5.330 8.905 ( 1.480 -1.896 1.819) 3.016 8.905 ( 1.480 1.896 1.819) 3.016 9.095 ( 0.172 -0.818 -4.422) 4.500 9.095 ( 0.172 0.818 -4.422) 4.500 9.630 ( -1.529 -0.425 7.296) 7.467 9.630 ( -1.529 0.425 7.296) 7.467 9.906 ( 3.484 -1.224 -4.738) 6.007 9.906 ( 3.484 1.224 -4.738) 6.007 10.511 ( 0.620 -1.680 -0.337) 1.822 10.511 ( 0.620 1.680 -0.337) 1.822 10.870 ( -6.350 -2.105 -0.345) 6.699 10.870 ( -6.350 2.105 -0.345) 6.699 11.097 ( -0.972 -1.700 0.823) 2.125 11.097 ( -0.972 1.700 0.823) 2.125 11.154 ( 2.364 -3.298 -0.570) 4.098 11.154 ( 2.364 3.298 -0.570) 4.098 11.548 ( 0.868 -4.311 0.187) 4.402 11.548 ( 0.868 4.311 0.187) 4.402 11.572 ( 1.537 -3.793 -0.110) 4.094 11.572 ( 1.537 3.793 -0.110) 4.094 11.980 ( -0.736 -4.517 2.240) 5.095 11.980 ( -0.736 4.517 2.240) 5.095 12.100 ( 1.177 -3.323 -1.945) 4.027 12.100 ( 1.177 3.323 -1.945) 4.027 12.975 ( -1.451 -0.698 0.281) 1.635 12.975 ( -1.451 0.698 0.281) 1.635 13.117 ( 0.420 -1.365 -0.309) 1.461 13.117 ( 0.420 1.365 -0.309) 1.461 13.931 ( 0.119 -0.839 -0.195) 0.869 13.931 ( 0.119 0.839 -0.195) 0.869 14.217 ( 0.680 -1.394 0.301) 1.580 14.217 ( 0.680 1.394 0.301) 1.580 14.417 ( 0.576 -0.359 0.185) 0.704 14.417 ( 0.576 0.359 0.185) 0.704 14.490 ( -0.036 -0.402 -0.239) 0.469 14.490 ( -0.036 0.402 -0.239) 0.469 15.385 ( 0.074 -1.482 0.056) 1.485 15.385 ( 0.074 1.482 0.056) 1.485 15.401 ( 0.665 -1.396 -0.080) 1.549 15.401 ( 0.665 1.397 -0.080) 1.549 16.044 ( 2.469 -0.530 -0.001) 2.525 16.044 ( 2.469 0.530 -0.001) 2.525 16.359 ( -2.702 -0.650 0.012) 2.779 16.359 ( -2.702 0.650 0.012) 2.779 16.538 ( 0.600 -2.655 0.642) 2.797 16.538 ( 0.600 2.655 0.642) 2.797 16.544 ( 0.268 -3.127 -0.633) 3.201 16.544 ( 0.268 3.127 -0.633) 3.201 17.654 ( -5.783 -4.396 0.049) 7.264 17.654 ( -5.783 4.396 0.049) 7.264 17.794 ( -5.755 -1.203 -0.219) 5.884 17.794 ( -5.755 1.203 -0.219) 5.884 18.056 ( 6.444 -5.976 0.258) 8.792 18.056 ( 6.444 5.976 0.258) 8.792 18.232 ( 6.834 -0.779 -0.081) 6.878 18.232 ( 6.834 0.779 -0.081) 6.878 19.678 ( -1.165 -2.523 -0.151) 2.783 19.678 ( -1.165 2.523 -0.151) 2.783 19.688 ( -1.131 -2.264 0.153) 2.535 19.688 ( -1.131 2.264 0.153) 2.535 20.770 ( -1.035 -0.229 0.056) 1.061 20.770 ( -1.035 0.229 0.056) 1.061 21.132 ( -0.341 -0.202 -0.037) 0.398 21.132 ( -0.341 0.202 -0.037) 0.398 22.699 ( -0.165 -0.749 0.033) 0.768 22.699 ( -0.165 0.749 0.033) 0.768 24.209 ( 0.308 -0.170 -0.092) 0.363 24.209 ( 0.308 0.170 -0.092) 0.363 25.407 ( 0.092 -0.801 0.242) 0.842 25.407 ( 0.092 0.801 0.242) 0.842 25.918 ( 0.324 -0.715 -0.203) 0.811 25.918 ( 0.324 0.715 -0.203) 0.811 27.180 ( 0.577 -0.083 -0.033) 0.584 27.180 ( 0.577 0.083 -0.033) 0.584 27.283 ( -0.693 -0.660 0.110) 0.963 27.283 ( -0.693 0.660 0.110) 0.963 27.486 ( -0.247 -0.401 -0.232) 0.525 27.486 ( -0.247 0.401 -0.232) 0.525 27.590 ( -0.187 -0.928 0.192) 0.966 27.590 ( -0.187 0.928 0.192) 0.966 28.468 ( -1.242 -0.378 -0.036) 1.299 28.468 ( -1.242 0.378 -0.036) 1.299 28.676 ( 0.586 -0.631 0.054) 0.863 28.676 ( 0.586 0.631 0.054) 0.863 29.567 ( -1.203 -0.814 0.417) 1.511 29.567 ( -1.203 0.814 0.417) 1.511 29.640 ( 1.648 -4.217 -0.488) 4.553 29.640 ( 1.648 4.217 -0.488) 4.553 29.889 ( -0.040 -2.190 1.065) 2.436 29.889 ( -0.041 2.190 1.065) 2.436 29.973 ( -0.621 -1.675 -1.443) 2.296 29.973 ( -0.621 1.675 -1.443) 2.296 30.909 ( 3.026 -1.203 1.152) 3.454 30.909 ( 3.026 1.203 1.152) 3.454 31.270 ( -1.921 -2.760 -1.010) 3.511 31.270 ( -1.921 2.760 -1.010) 3.511 32.683 ( -0.304 -1.643 2.878) 3.328 32.683 ( -0.304 1.643 2.878) 3.328 32.751 ( 0.426 -3.231 -2.627) 4.186 32.751 ( 0.426 3.231 -2.627) 4.186 33.607 ( 0.435 -2.977 0.116) 3.011 33.607 ( 0.435 2.977 0.116) 3.011 33.801 ( -0.098 -2.624 -0.119) 2.628 33.801 ( -0.098 2.624 -0.119) 2.628 47.399 ( -0.079 -0.137 0.135) 0.208 47.399 ( -0.079 0.137 0.135) 0.208 47.600 ( -0.022 -0.048 -0.135) 0.145 47.600 ( -0.022 0.048 -0.135) 0.145 97.447 ( 0.115 -0.261 0.014) 0.285 97.447 ( 0.115 0.261 0.014) 0.285 97.562 ( 0.316 -0.701 -0.018) 0.769 97.562 ( 0.316 0.701 -0.018) 0.769 98.727 ( -0.349 -0.445 -0.002) 0.566 98.727 ( -0.349 0.445 -0.002) 0.566 98.945 ( -1.004 -0.983 0.001) 1.405 98.945 ( -1.004 0.983 0.001) 1.405 ======================= Grid point 117 (60/60) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -0.984 -4.937 2.535) 5.636 2.008 ( -0.984 4.937 2.535) 5.636 2.171 ( -4.140 -2.850 -4.848) 6.983 2.171 ( -4.140 2.851 -4.848) 6.983 2.332 ( 1.625 -6.002 1.395) 6.373 2.332 ( 1.625 6.002 1.395) 6.373 2.507 ( 3.126 -6.131 -0.404) 6.893 2.507 ( 3.126 6.131 -0.404) 6.893 2.596 ( -0.633 -8.535 1.466) 8.684 2.596 ( -0.633 8.535 1.466) 8.684 2.705 ( -4.692 -0.875 -1.428) 4.982 2.705 ( -4.692 0.875 -1.428) 4.982 2.831 ( 5.085 -1.585 0.013) 5.327 2.831 ( 5.085 1.586 0.013) 5.327 3.062 ( 2.687 -1.684 3.009) 4.371 3.062 ( 2.687 1.684 3.009) 4.371 3.145 ( 1.536 -6.209 0.663) 6.430 3.145 ( 1.536 6.209 0.663) 6.431 3.410 ( -3.553 -5.128 -5.784) 8.507 3.410 ( -3.553 5.128 -5.784) 8.507 3.473 ( -2.999 -1.174 2.636) 4.162 3.473 ( -2.999 1.174 2.636) 4.162 3.699 ( -0.475 -5.506 -0.405) 5.541 3.699 ( -0.475 5.506 -0.405) 5.541 3.737 ( 2.635 -4.244 0.773) 5.055 3.737 ( 2.635 4.244 0.773) 5.055 3.910 ( -2.002 -6.192 -0.030) 6.508 3.910 ( -2.002 6.192 -0.030) 6.508 3.982 ( 1.896 -1.635 -0.482) 2.550 3.982 ( 1.896 1.635 -0.482) 2.550 4.199 ( 2.417 -0.951 3.683) 4.506 4.199 ( 2.417 0.951 3.683) 4.506 4.369 ( 1.194 -2.172 1.634) 2.968 4.369 ( 1.194 2.172 1.634) 2.968 4.494 ( -1.836 -1.327 -6.294) 6.689 4.494 ( -1.836 1.327 -6.294) 6.689 4.677 ( 1.812 -3.796 1.572) 4.491 4.677 ( 1.812 3.796 1.572) 4.491 4.868 ( -1.419 -1.766 -2.619) 3.463 4.868 ( -1.419 1.766 -2.619) 3.463 4.956 ( -2.787 -1.332 3.571) 4.722 4.956 ( -2.787 1.332 3.571) 4.722 5.060 ( -2.476 -2.475 -0.391) 3.523 5.060 ( -2.476 2.475 -0.391) 3.523 5.187 ( -1.359 -6.388 0.009) 6.531 5.187 ( -1.359 6.388 0.009) 6.531 5.361 ( -0.889 -5.572 2.214) 6.061 5.361 ( -0.889 5.572 2.214) 6.061 5.449 ( -4.417 -1.972 -2.212) 5.319 5.449 ( -4.417 1.972 -2.212) 5.319 5.595 ( -2.991 -3.738 -1.480) 5.011 5.595 ( -2.991 3.738 -1.480) 5.011 5.716 ( 3.349 -2.168 1.285) 4.191 5.716 ( 3.349 2.168 1.285) 4.191 5.830 ( 1.361 -3.000 0.442) 3.324 5.830 ( 1.361 3.000 0.442) 3.324 6.092 ( 2.487 -1.269 -0.553) 2.847 6.092 ( 2.487 1.270 -0.553) 2.847 6.160 ( 3.341 -2.779 -0.041) 4.346 6.160 ( 3.341 2.779 -0.041) 4.346 6.431 ( 1.850 -4.800 0.130) 5.145 6.431 ( 1.850 4.800 0.130) 5.145 6.659 ( 0.246 -1.926 -0.192) 1.951 6.659 ( 0.246 1.926 -0.192) 1.951 7.081 ( 2.131 -4.495 -0.547) 5.005 7.081 ( 2.131 4.495 -0.547) 5.005 7.137 ( -1.742 -3.503 0.690) 3.972 7.137 ( -1.742 3.503 0.690) 3.972 7.434 ( -0.033 -2.281 -0.572) 2.352 7.434 ( -0.033 2.281 -0.572) 2.352 7.469 ( -2.874 -1.480 0.573) 3.283 7.469 ( -2.874 1.480 0.573) 3.283 8.007 ( 7.577 -3.801 -0.173) 8.479 8.007 ( 7.577 3.801 -0.173) 8.479 8.312 ( -7.592 -3.555 0.231) 8.387 8.312 ( -7.592 3.555 0.231) 8.387 8.941 ( 1.610 -2.015 2.666) 3.709 8.941 ( 1.610 2.015 2.666) 3.709 9.086 ( -0.180 -0.429 -5.421) 5.441 9.086 ( -0.180 0.429 -5.421) 5.441 9.618 ( -1.038 -0.486 6.540) 6.639 9.618 ( -1.038 0.486 6.540) 6.639 9.969 ( 3.404 -1.074 -3.928) 5.308 9.969 ( 3.404 1.074 -3.928) 5.308 10.533 ( 1.803 -1.801 0.237) 2.560 10.533 ( 1.803 1.802 0.237) 2.560 10.738 ( -6.644 -1.762 -1.056) 6.954 10.738 ( -6.644 1.762 -1.056) 6.954 11.077 ( -0.987 -1.344 1.081) 1.987 11.077 ( -0.987 1.344 1.081) 1.987 11.189 ( 1.201 -1.456 -0.594) 1.979 11.189 ( 1.201 1.456 -0.594) 1.979 11.568 ( 1.014 -3.536 -0.055) 3.679 11.568 ( 1.014 3.536 -0.055) 3.679 11.603 ( 1.348 -3.275 0.168) 3.546 11.603 ( 1.348 3.275 0.168) 3.546 11.974 ( -0.336 -4.250 2.221) 4.807 11.974 ( -0.336 4.250 2.221) 4.807 12.117 ( 0.818 -2.863 -1.945) 3.557 12.117 ( 0.818 2.863 -1.945) 3.557 12.949 ( -1.072 -0.823 0.517) 1.447 12.949 ( -1.072 0.823 0.517) 1.447 13.119 ( -0.111 -1.828 -0.748) 1.978 13.119 ( -0.111 1.828 -0.748) 1.978 13.937 ( 0.399 -0.895 0.524) 1.111 13.937 ( 0.399 0.895 0.524) 1.111 14.225 ( 0.064 -1.590 -0.683) 1.732 14.225 ( 0.064 1.590 -0.683) 1.732 14.430 ( 0.878 -0.563 0.922) 1.392 14.430 ( 0.878 0.563 0.922) 1.392 14.494 ( 0.248 -0.106 -0.513) 0.580 14.494 ( 0.248 0.106 -0.513) 0.580 15.386 ( 0.002 -0.915 -0.238) 0.946 15.386 ( 0.002 0.916 -0.238) 0.946 15.415 ( 0.680 -0.866 0.237) 1.126 15.415 ( 0.680 0.866 0.237) 1.126 16.109 ( 4.236 -1.008 -0.008) 4.354 16.109 ( 4.236 1.008 -0.008) 4.354 16.290 ( -4.336 -1.142 -0.003) 4.484 16.290 ( -4.336 1.142 -0.003) 4.484 16.543 ( 0.256 -3.815 -0.334) 3.839 16.543 ( 0.256 3.815 -0.334) 3.839 16.555 ( 0.502 -3.433 0.353) 3.488 16.555 ( 0.502 3.433 0.353) 3.488 17.572 ( -2.450 -3.389 0.070) 4.183 17.572 ( -2.450 3.389 0.070) 4.183 17.668 ( -5.883 -0.386 -0.132) 5.897 17.668 ( -5.883 0.386 -0.132) 5.897 18.206 ( 7.591 -4.688 0.084) 8.922 18.206 ( 7.591 4.688 0.084) 8.922 18.326 ( 2.537 -1.733 -0.008) 3.072 18.326 ( 2.537 1.733 -0.008) 3.072 19.651 ( -1.315 -1.955 -0.437) 2.396 19.651 ( -1.315 1.955 -0.437) 2.396 19.666 ( -1.062 -1.957 0.434) 2.269 19.666 ( -1.062 1.957 0.434) 2.269 20.748 ( -1.047 -0.200 0.068) 1.068 20.748 ( -1.047 0.200 0.068) 1.068 21.124 ( -0.374 -0.292 -0.042) 0.477 21.124 ( -0.374 0.292 -0.042) 0.477 22.695 ( -0.167 -0.764 0.020) 0.782 22.695 ( -0.167 0.764 0.020) 0.782 24.216 ( 0.305 -0.170 -0.086) 0.359 24.216 ( 0.305 0.170 -0.086) 0.359 25.410 ( 0.090 -0.823 0.262) 0.869 25.410 ( 0.090 0.823 0.262) 0.869 25.924 ( 0.333 -0.842 -0.238) 0.936 25.924 ( 0.333 0.842 -0.238) 0.936 27.192 ( 0.465 -0.211 -0.027) 0.511 27.192 ( 0.465 0.211 -0.027) 0.511 27.269 ( -0.625 -0.852 0.089) 1.060 27.269 ( -0.625 0.852 0.089) 1.060 27.481 ( -0.156 -0.650 -0.106) 0.677 27.481 ( -0.156 0.650 -0.106) 0.677 27.585 ( -0.239 -1.056 0.097) 1.087 27.585 ( -0.239 1.056 0.097) 1.087 28.443 ( -1.072 -0.294 -0.011) 1.112 28.443 ( -1.072 0.294 -0.011) 1.112 28.686 ( 0.417 -0.615 0.027) 0.744 28.686 ( 0.417 0.615 0.027) 0.744 29.552 ( -0.445 -1.070 0.297) 1.196 29.552 ( -0.445 1.070 0.297) 1.196 29.662 ( 0.684 -3.280 -0.241) 3.359 29.662 ( 0.684 3.280 -0.241) 3.359 29.895 ( 0.432 -4.331 1.128) 4.497 29.895 ( 0.432 4.331 1.128) 4.497 29.955 ( -0.794 -2.735 -1.602) 3.267 29.955 ( -0.794 2.735 -1.602) 3.267 30.986 ( 4.317 -2.788 1.446) 5.338 30.986 ( 4.317 2.788 1.446) 5.338 31.216 ( -3.300 -3.120 -1.321) 4.729 31.216 ( -3.300 3.120 -1.321) 4.729 32.683 ( -0.258 -0.880 3.095) 3.228 32.683 ( -0.258 0.880 3.095) 3.228 32.754 ( 0.343 -2.959 -2.864) 4.132 32.754 ( 0.343 2.959 -2.864) 4.132 33.618 ( 0.537 -4.554 0.047) 4.586 33.618 ( 0.537 4.554 0.047) 4.586 33.798 ( -0.160 -4.058 -0.041) 4.061 33.798 ( -0.160 4.058 -0.041) 4.061 47.398 ( -0.081 -0.143 0.135) 0.213 47.398 ( -0.081 0.143 0.135) 0.213 47.599 ( -0.021 -0.036 -0.135) 0.141 47.599 ( -0.021 0.036 -0.135) 0.141 97.450 ( 0.124 -0.346 0.025) 0.368 97.450 ( 0.124 0.346 0.025) 0.368 97.569 ( 0.314 -0.864 -0.035) 0.920 97.569 ( 0.314 0.864 -0.035) 0.920 98.719 ( -0.354 -0.459 -0.008) 0.580 98.719 ( -0.354 0.459 -0.008) 0.580 98.924 ( -1.016 -1.107 0.013) 1.503 98.924 ( -1.016 1.107 0.013) 1.503 =================== 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 3/34560 10.0 36.624 61.838 66.141 0.000 3.080 0.000 3/34560 20.0 10.716 22.363 16.342 0.000 1.183 0.000 3/34560 30.0 5.352 11.926 7.764 0.000 0.611 0.000 3/34560 40.0 3.481 7.561 4.748 0.000 0.356 0.000 3/34560 50.0 2.577 5.365 3.332 0.000 0.229 0.000 3/34560 60.0 2.049 4.104 2.545 0.000 0.160 0.000 3/34560 70.0 1.702 3.306 2.054 0.000 0.119 0.000 3/34560 80.0 1.457 2.764 1.722 0.000 0.094 0.000 3/34560 90.0 1.274 2.374 1.483 0.000 0.076 0.000 3/34560 100.0 1.132 2.081 1.304 0.000 0.064 0.000 3/34560 110.0 1.019 1.854 1.164 0.000 0.055 0.000 3/34560 120.0 0.927 1.673 1.051 0.000 0.048 0.000 3/34560 130.0 0.851 1.526 0.959 0.000 0.043 0.000 3/34560 140.0 0.786 1.403 0.883 0.000 0.038 0.000 3/34560 150.0 0.731 1.299 0.818 0.000 0.035 0.000 3/34560 160.0 0.683 1.211 0.762 0.000 0.032 0.000 3/34560 170.0 0.642 1.134 0.713 0.000 0.029 0.000 3/34560 180.0 0.605 1.067 0.671 0.000 0.027 0.000 3/34560 190.0 0.573 1.008 0.633 0.000 0.026 0.000 3/34560 200.0 0.544 0.956 0.599 0.000 0.024 0.000 3/34560 210.0 0.518 0.909 0.569 0.000 0.023 0.000 3/34560 220.0 0.494 0.867 0.542 0.000 0.021 0.000 3/34560 230.0 0.473 0.830 0.518 0.000 0.020 0.000 3/34560 240.0 0.454 0.795 0.496 0.000 0.019 0.000 3/34560 250.0 0.436 0.764 0.475 0.000 0.018 0.000 3/34560 260.0 0.420 0.736 0.457 0.000 0.018 0.000 3/34560 270.0 0.405 0.710 0.439 0.000 0.017 0.000 3/34560 280.0 0.391 0.686 0.424 0.000 0.016 0.000 3/34560 290.0 0.378 0.663 0.409 0.000 0.016 0.000 3/34560 300.0 0.366 0.643 0.395 0.000 0.015 0.000 3/34560 310.0 0.355 0.623 0.382 0.000 0.014 0.000 3/34560 320.0 0.344 0.605 0.371 0.000 0.014 0.000 3/34560 330.0 0.334 0.589 0.359 0.000 0.014 0.000 3/34560 340.0 0.325 0.573 0.349 0.000 0.013 0.000 3/34560 350.0 0.316 0.558 0.339 0.000 0.013 0.000 3/34560 360.0 0.308 0.544 0.330 0.000 0.012 0.000 3/34560 370.0 0.300 0.531 0.321 0.000 0.012 0.000 3/34560 380.0 0.293 0.518 0.313 0.000 0.012 0.000 3/34560 390.0 0.286 0.506 0.305 0.000 0.011 0.000 3/34560 400.0 0.279 0.495 0.298 0.000 0.011 0.000 3/34560 410.0 0.273 0.484 0.291 0.000 0.011 0.000 3/34560 420.0 0.267 0.474 0.284 0.000 0.011 0.000 3/34560 430.0 0.261 0.464 0.278 0.000 0.010 0.000 3/34560 440.0 0.256 0.455 0.271 0.000 0.010 0.000 3/34560 450.0 0.251 0.446 0.266 0.000 0.010 0.000 3/34560 460.0 0.245 0.437 0.260 0.000 0.010 0.000 3/34560 470.0 0.241 0.429 0.255 0.000 0.009 0.000 3/34560 480.0 0.236 0.421 0.250 0.000 0.009 0.000 3/34560 490.0 0.232 0.413 0.245 0.000 0.009 0.000 3/34560 500.0 0.227 0.406 0.240 0.000 0.009 0.000 3/34560 510.0 0.223 0.399 0.235 0.000 0.009 0.000 3/34560 520.0 0.219 0.392 0.231 0.000 0.009 0.000 3/34560 530.0 0.215 0.386 0.227 0.000 0.008 0.000 3/34560 540.0 0.212 0.379 0.223 0.000 0.008 0.000 3/34560 550.0 0.208 0.373 0.219 0.000 0.008 0.000 3/34560 560.0 0.205 0.367 0.215 0.000 0.008 0.000 3/34560 570.0 0.201 0.361 0.212 0.000 0.008 0.000 3/34560 580.0 0.198 0.356 0.208 0.000 0.008 0.000 3/34560 590.0 0.195 0.350 0.205 0.000 0.007 0.000 3/34560 600.0 0.192 0.345 0.201 0.000 0.007 0.000 3/34560 610.0 0.189 0.340 0.198 0.000 0.007 0.000 3/34560 620.0 0.186 0.335 0.195 0.000 0.007 0.000 3/34560 630.0 0.183 0.330 0.192 0.000 0.007 0.000 3/34560 640.0 0.181 0.326 0.189 0.000 0.007 0.000 3/34560 650.0 0.178 0.321 0.186 0.000 0.007 0.000 3/34560 660.0 0.175 0.317 0.184 0.000 0.007 0.000 3/34560 670.0 0.173 0.313 0.181 0.000 0.007 0.000 3/34560 680.0 0.171 0.308 0.178 0.000 0.007 0.000 3/34560 690.0 0.168 0.304 0.176 0.000 0.006 0.000 3/34560 700.0 0.166 0.300 0.174 0.000 0.006 0.000 3/34560 710.0 0.164 0.297 0.171 0.000 0.006 0.000 3/34560 720.0 0.162 0.293 0.169 0.000 0.006 0.000 3/34560 730.0 0.160 0.289 0.167 0.000 0.006 0.000 3/34560 740.0 0.158 0.286 0.164 0.000 0.006 0.000 3/34560 750.0 0.156 0.282 0.162 0.000 0.006 0.000 3/34560 760.0 0.154 0.279 0.160 0.000 0.006 0.000 3/34560 770.0 0.152 0.275 0.158 0.000 0.006 0.000 3/34560 780.0 0.150 0.272 0.156 0.000 0.006 0.000 3/34560 790.0 0.148 0.269 0.154 0.000 0.006 0.000 3/34560 800.0 0.146 0.266 0.152 0.000 0.006 0.000 3/34560 810.0 0.145 0.263 0.151 0.000 0.005 0.000 3/34560 820.0 0.143 0.260 0.149 0.000 0.005 0.000 3/34560 830.0 0.141 0.257 0.147 0.000 0.005 0.000 3/34560 840.0 0.140 0.254 0.145 0.000 0.005 0.000 3/34560 850.0 0.138 0.251 0.144 0.000 0.005 0.000 3/34560 860.0 0.137 0.249 0.142 0.000 0.005 0.000 3/34560 870.0 0.135 0.246 0.141 0.000 0.005 0.000 3/34560 880.0 0.134 0.244 0.139 0.000 0.005 0.000 3/34560 890.0 0.132 0.241 0.137 0.000 0.005 0.000 3/34560 900.0 0.131 0.238 0.136 0.000 0.005 0.000 3/34560 910.0 0.130 0.236 0.135 0.000 0.005 0.000 3/34560 920.0 0.128 0.234 0.133 0.000 0.005 0.000 3/34560 930.0 0.127 0.231 0.132 0.000 0.005 0.000 3/34560 940.0 0.126 0.229 0.130 0.000 0.005 0.000 3/34560 950.0 0.124 0.227 0.129 0.000 0.005 0.000 3/34560 960.0 0.123 0.225 0.128 0.000 0.005 0.000 3/34560 970.0 0.122 0.222 0.126 0.000 0.005 0.000 3/34560 980.0 0.121 0.220 0.125 0.000 0.005 0.000 3/34560 990.0 0.119 0.218 0.124 0.000 0.005 0.000 3/34560 1000.0 0.118 0.216 0.123 0.000 0.004 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m6103.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:12:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|