----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:47:04]------------------------- 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: [2 1 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 7.315095920008792 0.000000000000000 0.000000000000000 b 0.000000000000000 11.122006250000000 0.000000000000000 c -6.003135667113935 0.000000000000000 10.280552413837940 Atomic positions (fractional): *1 O 0.34618775678765 0.90874646522899 0.87128221199780 15.999 2 O 0.65381224321235 0.40874646522899 0.62871778800220 15.999 3 O 0.65381224321235 0.09125353477101 0.12871778800220 15.999 4 O 0.34618775678765 0.59125353477101 0.37128221199780 15.999 *5 O 0.89738347623024 0.52070135929205 0.86233450233271 15.999 6 O 0.10261652376976 0.02070135929205 0.63766549766729 15.999 7 O 0.10261652376976 0.47929864070795 0.13766549766729 15.999 8 O 0.89738347623024 0.97929864070795 0.36233450233271 15.999 *9 O 0.50397145778758 0.89603917685713 0.19227261862694 15.999 10 O 0.49602854221242 0.39603917685712 0.30772738137306 15.999 11 O 0.49602854221242 0.10396082314287 0.80772738137306 15.999 12 O 0.50397145778758 0.60396082314287 0.69227261862694 15.999 *13 O 0.80247149134410 0.60685075260503 0.62165938533542 15.999 14 O 0.19752850865590 0.10685075260503 0.87834061466458 15.999 15 O 0.19752850865590 0.39314924739497 0.37834061466458 15.999 16 O 0.80247149134410 0.89314924739497 0.12165938533542 15.999 *17 O 0.48479979514556 0.64432448554790 0.19658616881843 15.999 *18 O 0.10512327724200 0.72584636612473 0.61962166155837 15.999 19 O 0.89487672275800 0.27415363387527 0.38037833844162 15.999 20 O 0.10512327724200 0.77415363387527 0.11962166155838 15.999 *21 O 0.71299706592781 0.82018032091681 0.48212945304266 15.999 22 O 0.28700293407219 0.32018032091681 0.01787054695734 15.999 23 O 0.28700293407219 0.17981967908319 0.51787054695734 15.999 24 O 0.71299706592781 0.67981967908319 0.98212945304266 15.999 *25 O 0.88753442948479 0.82134777158538 0.73241966141994 15.999 26 O 0.11246557051521 0.32134777158538 0.76758033858006 15.999 27 O 0.11246557051521 0.17865222841462 0.26758033858006 15.999 28 O 0.88753442948479 0.67865222841462 0.23241966141994 15.999 *29 O 0.35094853204333 0.97530522814537 0.36334553976123 15.999 30 O 0.64905146795667 0.47530522814537 0.13665446023877 15.999 31 O 0.64905146795667 0.02469477185463 0.63665446023877 15.999 32 O 0.35094853204333 0.52469477185463 0.86334553976123 15.999 *33 O 0.85086171668336 0.94944930707877 0.89341018827907 15.999 34 O 0.14913828331664 0.44944930707877 0.60658981172093 15.999 35 O 0.14913828331664 0.05055069292123 0.10658981172093 15.999 36 O 0.85086171668336 0.55055069292123 0.39341018827907 15.999 37 O 0.48479979514556 0.85567551445210 0.69658616881843 15.999 38 O 0.51520020485444 0.35567551445210 0.80341383118157 15.999 39 O 0.51520020485444 0.14432448554790 0.30341383118157 15.999 40 O 0.89487672275800 0.22584636612473 0.88037833844163 15.999 *41 F 0.75665675819262 0.28555103155900 0.06045773830572 18.998 42 F 0.24334324180738 0.78555103155900 0.43954226169428 18.998 43 F 0.75665675819262 0.21444896844100 0.56045773830572 18.998 44 F 0.24334324180738 0.71444896844100 0.93954226169428 18.998 *45 Si 0.71341845334275 0.53600746987036 0.70858382257826 28.085 *46 Si 0.12225988135059 0.24423748273413 0.88981926270748 28.085 47 Si 0.12225988135059 0.25576251726587 0.38981926270748 28.085 48 Si 0.87774011864941 0.75576251726587 0.11018073729252 28.085 *49 Si 0.71501627366935 0.58670181623692 0.24101121712440 28.085 50 Si 0.28498372633065 0.08670181623692 0.25898878287560 28.085 51 Si 0.28498372633065 0.41329818376308 0.75898878287560 28.085 52 Si 0.71501627366935 0.91329818376308 0.74101121712440 28.085 53 Si 0.71341845334275 0.96399253012964 0.20858382257826 28.085 54 Si 0.28658154665725 0.46399253012964 0.29141617742174 28.085 55 Si 0.87774011864941 0.74423748273413 0.61018073729252 28.085 56 Si 0.28658154665725 0.03600746987036 0.79141617742174 28.085 *57 Y 0.25590198332794 0.53145771842335 0.01855015052088 88.906 58 Y 0.74409801667206 0.03145771842335 0.48144984947912 88.906 59 Y 0.74409801667206 0.46854228157665 0.98144984947912 88.906 60 Y 0.25590198332794 0.96854228157665 0.51855015052088 88.906 *61 Y 0.40418796769848 0.77230031449974 0.31128628044051 88.906 62 Y 0.59581203230152 0.27230031449974 0.18871371955949 88.906 63 Y 0.59581203230152 0.22769968550026 0.68871371955949 88.906 64 Y 0.40418796769848 0.72769968550026 0.81128628044051 88.906 *65 Y 0.19457091023755 0.90191681503522 0.99574317603713 88.906 66 Y 0.80542908976245 0.40191681503522 0.50425682396287 88.906 67 Y 0.80542908976245 0.09808318496478 0.00425682396287 88.906 68 Y 0.19457091023755 0.59808318496478 0.49574317603713 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.315095920008792 0.000000000000000 0.000000000000000 b 0.000000000000000 11.122006250000000 0.000000000000000 c -6.003135667113935 0.000000000000000 10.280552413837940 Atomic positions (fractional): *1 O 0.34618775678765 0.90874646522899 0.87128221199780 15.999 > 1 2 O 0.65381224321235 0.40874646522899 0.62871778800220 15.999 > 2 3 O 0.65381224321235 0.09125353477101 0.12871778800220 15.999 > 3 4 O 0.34618775678765 0.59125353477101 0.37128221199780 15.999 > 4 *5 O 0.89738347623024 0.52070135929205 0.86233450233271 15.999 > 5 6 O 0.10261652376976 0.02070135929205 0.63766549766729 15.999 > 6 7 O 0.10261652376976 0.47929864070795 0.13766549766729 15.999 > 7 8 O 0.89738347623024 0.97929864070795 0.36233450233271 15.999 > 8 *9 O 0.50397145778758 0.89603917685713 0.19227261862694 15.999 > 9 10 O 0.49602854221242 0.39603917685712 0.30772738137306 15.999 > 10 11 O 0.49602854221242 0.10396082314287 0.80772738137306 15.999 > 11 12 O 0.50397145778758 0.60396082314287 0.69227261862694 15.999 > 12 *13 O 0.80247149134410 0.60685075260503 0.62165938533542 15.999 > 13 14 O 0.19752850865590 0.10685075260503 0.87834061466458 15.999 > 14 15 O 0.19752850865590 0.39314924739497 0.37834061466458 15.999 > 15 16 O 0.80247149134410 0.89314924739497 0.12165938533542 15.999 > 16 *17 O 0.48479979514556 0.64432448554790 0.19658616881843 15.999 > 17 *18 O 0.10512327724200 0.72584636612473 0.61962166155837 15.999 > 18 19 O 0.89487672275800 0.27415363387527 0.38037833844162 15.999 > 19 20 O 0.10512327724200 0.77415363387527 0.11962166155838 15.999 > 20 *21 O 0.71299706592781 0.82018032091681 0.48212945304266 15.999 > 21 22 O 0.28700293407219 0.32018032091681 0.01787054695734 15.999 > 22 23 O 0.28700293407219 0.17981967908319 0.51787054695734 15.999 > 23 24 O 0.71299706592781 0.67981967908319 0.98212945304266 15.999 > 24 *25 O 0.88753442948479 0.82134777158538 0.73241966141994 15.999 > 25 26 O 0.11246557051521 0.32134777158538 0.76758033858006 15.999 > 26 27 O 0.11246557051521 0.17865222841462 0.26758033858006 15.999 > 27 28 O 0.88753442948479 0.67865222841462 0.23241966141994 15.999 > 28 *29 O 0.35094853204333 0.97530522814537 0.36334553976123 15.999 > 29 30 O 0.64905146795667 0.47530522814537 0.13665446023877 15.999 > 30 31 O 0.64905146795667 0.02469477185463 0.63665446023877 15.999 > 31 32 O 0.35094853204333 0.52469477185463 0.86334553976123 15.999 > 32 *33 O 0.85086171668336 0.94944930707877 0.89341018827907 15.999 > 33 34 O 0.14913828331664 0.44944930707877 0.60658981172093 15.999 > 34 35 O 0.14913828331664 0.05055069292123 0.10658981172093 15.999 > 35 36 O 0.85086171668336 0.55055069292123 0.39341018827907 15.999 > 36 37 O 0.48479979514556 0.85567551445210 0.69658616881843 15.999 > 37 38 O 0.51520020485444 0.35567551445210 0.80341383118157 15.999 > 38 39 O 0.51520020485444 0.14432448554790 0.30341383118157 15.999 > 39 40 O 0.89487672275800 0.22584636612473 0.88037833844163 15.999 > 40 *41 F 0.75665675819262 0.28555103155900 0.06045773830572 18.998 > 41 42 F 0.24334324180738 0.78555103155900 0.43954226169428 18.998 > 42 43 F 0.75665675819262 0.21444896844100 0.56045773830572 18.998 > 43 44 F 0.24334324180738 0.71444896844100 0.93954226169428 18.998 > 44 *45 Si 0.71341845334275 0.53600746987036 0.70858382257826 28.085 > 45 *46 Si 0.12225988135059 0.24423748273413 0.88981926270748 28.085 > 46 47 Si 0.12225988135059 0.25576251726587 0.38981926270748 28.085 > 47 48 Si 0.87774011864941 0.75576251726587 0.11018073729252 28.085 > 48 *49 Si 0.71501627366935 0.58670181623692 0.24101121712440 28.085 > 49 50 Si 0.28498372633065 0.08670181623692 0.25898878287560 28.085 > 50 51 Si 0.28498372633065 0.41329818376308 0.75898878287560 28.085 > 51 52 Si 0.71501627366935 0.91329818376308 0.74101121712440 28.085 > 52 53 Si 0.71341845334275 0.96399253012964 0.20858382257826 28.085 > 53 54 Si 0.28658154665725 0.46399253012964 0.29141617742174 28.085 > 54 55 Si 0.87774011864941 0.74423748273413 0.61018073729252 28.085 > 55 56 Si 0.28658154665725 0.03600746987036 0.79141617742174 28.085 > 56 *57 Y 0.25590198332794 0.53145771842335 0.01855015052088 88.906 > 57 58 Y 0.74409801667206 0.03145771842335 0.48144984947912 88.906 > 58 59 Y 0.74409801667206 0.46854228157665 0.98144984947912 88.906 > 59 60 Y 0.25590198332794 0.96854228157665 0.51855015052088 88.906 > 60 *61 Y 0.40418796769848 0.77230031449974 0.31128628044051 88.906 > 61 62 Y 0.59581203230152 0.27230031449974 0.18871371955949 88.906 > 62 63 Y 0.59581203230152 0.22769968550026 0.68871371955949 88.906 > 63 64 Y 0.40418796769848 0.72769968550026 0.81128628044051 88.906 > 64 *65 Y 0.19457091023755 0.90191681503522 0.99574317603713 88.906 > 65 66 Y 0.80542908976245 0.40191681503522 0.50425682396287 88.906 > 66 67 Y 0.80542908976245 0.09808318496478 0.00425682396287 88.906 > 67 68 Y 0.19457091023755 0.59808318496478 0.49574317603713 88.906 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.630191840017584 0.000000000000000 0.000000000000000 b 0.000000000000000 11.122006250000000 0.000000000000000 c -6.003135667113935 0.000000000000000 10.280552413837940 Atomic positions (fractional): *1 O 0.17309387839383 0.90874646522899 0.87128221199780 15.999 > 1 2 O 0.67309387839383 0.90874646522899 0.87128221199780 15.999 > 1 3 O 0.32690612160617 0.40874646522899 0.62871778800220 15.999 > 2 4 O 0.82690612160617 0.40874646522899 0.62871778800220 15.999 > 2 5 O 0.32690612160617 0.09125353477101 0.12871778800220 15.999 > 3 6 O 0.82690612160617 0.09125353477101 0.12871778800220 15.999 > 3 7 O 0.17309387839383 0.59125353477101 0.37128221199780 15.999 > 4 8 O 0.67309387839383 0.59125353477101 0.37128221199780 15.999 > 4 *9 O 0.44869173811512 0.52070135929205 0.86233450233271 15.999 > 5 10 O 0.94869173811512 0.52070135929205 0.86233450233271 15.999 > 5 11 O 0.05130826188488 0.02070135929205 0.63766549766729 15.999 > 6 12 O 0.55130826188488 0.02070135929205 0.63766549766729 15.999 > 6 13 O 0.05130826188488 0.47929864070795 0.13766549766729 15.999 > 7 14 O 0.55130826188488 0.47929864070795 0.13766549766729 15.999 > 7 15 O 0.44869173811512 0.97929864070795 0.36233450233271 15.999 > 8 16 O 0.94869173811512 0.97929864070795 0.36233450233271 15.999 > 8 *17 O 0.25198572889379 0.89603917685713 0.19227261862694 15.999 > 9 18 O 0.75198572889379 0.89603917685713 0.19227261862694 15.999 > 9 19 O 0.24801427110621 0.39603917685712 0.30772738137306 15.999 > 10 20 O 0.74801427110621 0.39603917685712 0.30772738137306 15.999 > 10 21 O 0.24801427110621 0.10396082314287 0.80772738137306 15.999 > 11 22 O 0.74801427110621 0.10396082314287 0.80772738137306 15.999 > 11 23 O 0.25198572889379 0.60396082314287 0.69227261862694 15.999 > 12 24 O 0.75198572889379 0.60396082314287 0.69227261862694 15.999 > 12 *25 O 0.40123574567205 0.60685075260503 0.62165938533542 15.999 > 13 26 O 0.90123574567205 0.60685075260503 0.62165938533542 15.999 > 13 27 O 0.09876425432795 0.10685075260503 0.87834061466458 15.999 > 14 28 O 0.59876425432795 0.10685075260503 0.87834061466458 15.999 > 14 29 O 0.09876425432795 0.39314924739497 0.37834061466458 15.999 > 15 30 O 0.59876425432795 0.39314924739497 0.37834061466458 15.999 > 15 31 O 0.40123574567205 0.89314924739497 0.12165938533542 15.999 > 16 32 O 0.90123574567205 0.89314924739497 0.12165938533542 15.999 > 16 *33 O 0.24239989757278 0.64432448554790 0.19658616881843 15.999 > 17 34 O 0.74239989757278 0.64432448554790 0.19658616881843 15.999 > 17 *35 O 0.05256163862100 0.72584636612473 0.61962166155837 15.999 > 18 36 O 0.55256163862100 0.72584636612473 0.61962166155837 15.999 > 18 37 O 0.44743836137900 0.27415363387527 0.38037833844162 15.999 > 19 38 O 0.94743836137900 0.27415363387527 0.38037833844162 15.999 > 19 39 O 0.05256163862100 0.77415363387527 0.11962166155838 15.999 > 20 40 O 0.55256163862100 0.77415363387527 0.11962166155838 15.999 > 20 *41 O 0.35649853296391 0.82018032091681 0.48212945304266 15.999 > 21 42 O 0.85649853296391 0.82018032091681 0.48212945304266 15.999 > 21 43 O 0.14350146703609 0.32018032091681 0.01787054695734 15.999 > 22 44 O 0.64350146703609 0.32018032091681 0.01787054695734 15.999 > 22 45 O 0.14350146703609 0.17981967908319 0.51787054695734 15.999 > 23 46 O 0.64350146703609 0.17981967908319 0.51787054695734 15.999 > 23 47 O 0.35649853296391 0.67981967908319 0.98212945304266 15.999 > 24 48 O 0.85649853296391 0.67981967908319 0.98212945304266 15.999 > 24 *49 O 0.44376721474239 0.82134777158538 0.73241966141994 15.999 > 25 50 O 0.94376721474239 0.82134777158538 0.73241966141994 15.999 > 25 51 O 0.05623278525761 0.32134777158538 0.76758033858006 15.999 > 26 52 O 0.55623278525761 0.32134777158538 0.76758033858006 15.999 > 26 53 O 0.05623278525761 0.17865222841462 0.26758033858006 15.999 > 27 54 O 0.55623278525761 0.17865222841462 0.26758033858006 15.999 > 27 55 O 0.44376721474239 0.67865222841462 0.23241966141994 15.999 > 28 56 O 0.94376721474239 0.67865222841462 0.23241966141994 15.999 > 28 *57 O 0.17547426602167 0.97530522814537 0.36334553976123 15.999 > 29 58 O 0.67547426602167 0.97530522814537 0.36334553976123 15.999 > 29 59 O 0.32452573397833 0.47530522814537 0.13665446023877 15.999 > 30 60 O 0.82452573397833 0.47530522814537 0.13665446023877 15.999 > 30 61 O 0.32452573397833 0.02469477185463 0.63665446023877 15.999 > 31 62 O 0.82452573397833 0.02469477185463 0.63665446023877 15.999 > 31 63 O 0.17547426602167 0.52469477185463 0.86334553976123 15.999 > 32 64 O 0.67547426602167 0.52469477185463 0.86334553976123 15.999 > 32 *65 O 0.42543085834168 0.94944930707877 0.89341018827907 15.999 > 33 66 O 0.92543085834168 0.94944930707877 0.89341018827907 15.999 > 33 67 O 0.07456914165832 0.44944930707877 0.60658981172093 15.999 > 34 68 O 0.57456914165832 0.44944930707877 0.60658981172093 15.999 > 34 69 O 0.07456914165832 0.05055069292123 0.10658981172093 15.999 > 35 70 O 0.57456914165832 0.05055069292123 0.10658981172093 15.999 > 35 71 O 0.42543085834168 0.55055069292123 0.39341018827907 15.999 > 36 72 O 0.92543085834168 0.55055069292123 0.39341018827907 15.999 > 36 73 O 0.24239989757278 0.85567551445210 0.69658616881843 15.999 > 37 74 O 0.74239989757278 0.85567551445210 0.69658616881843 15.999 > 37 75 O 0.25760010242722 0.35567551445210 0.80341383118157 15.999 > 38 76 O 0.75760010242722 0.35567551445210 0.80341383118157 15.999 > 38 77 O 0.25760010242722 0.14432448554790 0.30341383118157 15.999 > 39 78 O 0.75760010242722 0.14432448554790 0.30341383118157 15.999 > 39 79 O 0.44743836137900 0.22584636612473 0.88037833844163 15.999 > 40 80 O 0.94743836137900 0.22584636612473 0.88037833844163 15.999 > 40 *81 F 0.37832837909631 0.28555103155900 0.06045773830572 18.998 > 41 82 F 0.87832837909631 0.28555103155900 0.06045773830572 18.998 > 41 83 F 0.12167162090369 0.78555103155900 0.43954226169428 18.998 > 42 84 F 0.62167162090369 0.78555103155900 0.43954226169428 18.998 > 42 85 F 0.37832837909631 0.21444896844100 0.56045773830572 18.998 > 43 86 F 0.87832837909631 0.21444896844100 0.56045773830572 18.998 > 43 87 F 0.12167162090369 0.71444896844100 0.93954226169428 18.998 > 44 88 F 0.62167162090369 0.71444896844100 0.93954226169428 18.998 > 44 *89 Si 0.35670922667138 0.53600746987036 0.70858382257826 28.085 > 45 90 Si 0.85670922667138 0.53600746987036 0.70858382257826 28.085 > 45 *91 Si 0.06112994067530 0.24423748273413 0.88981926270748 28.085 > 46 92 Si 0.56112994067529 0.24423748273413 0.88981926270748 28.085 > 46 93 Si 0.06112994067530 0.25576251726587 0.38981926270748 28.085 > 47 94 Si 0.56112994067529 0.25576251726587 0.38981926270748 28.085 > 47 95 Si 0.43887005932471 0.75576251726587 0.11018073729252 28.085 > 48 96 Si 0.93887005932471 0.75576251726587 0.11018073729252 28.085 > 48 *97 Si 0.35750813683467 0.58670181623692 0.24101121712440 28.085 > 49 98 Si 0.85750813683467 0.58670181623692 0.24101121712440 28.085 > 49 99 Si 0.14249186316533 0.08670181623692 0.25898878287560 28.085 > 50 100 Si 0.64249186316533 0.08670181623692 0.25898878287560 28.085 > 50 101 Si 0.14249186316533 0.41329818376308 0.75898878287560 28.085 > 51 102 Si 0.64249186316533 0.41329818376308 0.75898878287560 28.085 > 51 103 Si 0.35750813683467 0.91329818376308 0.74101121712440 28.085 > 52 104 Si 0.85750813683467 0.91329818376308 0.74101121712440 28.085 > 52 105 Si 0.35670922667138 0.96399253012964 0.20858382257826 28.085 > 53 106 Si 0.85670922667138 0.96399253012964 0.20858382257826 28.085 > 53 107 Si 0.14329077332862 0.46399253012964 0.29141617742174 28.085 > 54 108 Si 0.64329077332862 0.46399253012964 0.29141617742174 28.085 > 54 109 Si 0.43887005932471 0.74423748273413 0.61018073729252 28.085 > 55 110 Si 0.93887005932471 0.74423748273413 0.61018073729252 28.085 > 55 111 Si 0.14329077332862 0.03600746987036 0.79141617742174 28.085 > 56 112 Si 0.64329077332862 0.03600746987036 0.79141617742174 28.085 > 56 *113 Y 0.12795099166397 0.53145771842335 0.01855015052088 88.906 > 57 114 Y 0.62795099166397 0.53145771842335 0.01855015052088 88.906 > 57 115 Y 0.37204900833603 0.03145771842335 0.48144984947912 88.906 > 58 116 Y 0.87204900833603 0.03145771842335 0.48144984947912 88.906 > 58 117 Y 0.37204900833603 0.46854228157665 0.98144984947912 88.906 > 59 118 Y 0.87204900833603 0.46854228157665 0.98144984947912 88.906 > 59 119 Y 0.12795099166397 0.96854228157665 0.51855015052088 88.906 > 60 120 Y 0.62795099166397 0.96854228157665 0.51855015052088 88.906 > 60 *121 Y 0.20209398384924 0.77230031449974 0.31128628044051 88.906 > 61 122 Y 0.70209398384924 0.77230031449974 0.31128628044051 88.906 > 61 123 Y 0.29790601615076 0.27230031449974 0.18871371955949 88.906 > 62 124 Y 0.79790601615076 0.27230031449974 0.18871371955949 88.906 > 62 125 Y 0.29790601615076 0.22769968550026 0.68871371955949 88.906 > 63 126 Y 0.79790601615076 0.22769968550026 0.68871371955949 88.906 > 63 127 Y 0.20209398384924 0.72769968550026 0.81128628044051 88.906 > 64 128 Y 0.70209398384924 0.72769968550026 0.81128628044051 88.906 > 64 *129 Y 0.09728545511877 0.90191681503522 0.99574317603713 88.906 > 65 130 Y 0.59728545511877 0.90191681503522 0.99574317603713 88.906 > 65 131 Y 0.40271454488123 0.40191681503522 0.50425682396287 88.906 > 66 132 Y 0.90271454488123 0.40191681503522 0.50425682396287 88.906 > 66 133 Y 0.40271454488123 0.09808318496478 0.00425682396287 88.906 > 67 134 Y 0.90271454488123 0.09808318496478 0.00425682396287 88.906 > 67 135 Y 0.09728545511877 0.59808318496478 0.49574317603713 88.906 > 68 136 Y 0.59728545511877 0.59808318496478 0.49574317603713 88.906 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3138429 0.0000000 -0.0010550 0.0000000 3.2317079 0.0000000 -0.0010545 0.0000000 3.3693634 -------------------------- Born effective charges -------------------------- 1 O -1.8543186 0.1235640 0.5330014 0.1581808 -2.4186603 0.1332617 0.4843486 0.1609919 -1.7727659 2 O -1.8543186 -0.1235640 0.5330014 -0.1581808 -2.4186603 -0.1332617 0.4843486 -0.1609919 -1.7727659 3 O -1.8543186 0.1235640 0.5330014 0.1581808 -2.4186603 0.1332617 0.4843486 0.1609919 -1.7727659 4 O -1.8543186 -0.1235640 0.5330014 -0.1581808 -2.4186603 -0.1332617 0.4843486 -0.1609919 -1.7727659 5 O -2.2050644 -0.0791637 -0.3076057 -0.0812525 -1.2116198 0.1581954 -0.3575685 0.2094380 -2.7005273 6 O -2.2050644 0.0791637 -0.3076057 0.0812525 -1.2116198 -0.1581954 -0.3575685 -0.2094380 -2.7005273 7 O -2.2050644 -0.0791637 -0.3076057 -0.0812525 -1.2116198 0.1581954 -0.3575685 0.2094380 -2.7005273 8 O -2.2050644 0.0791637 -0.3076057 0.0812525 -1.2116198 -0.1581954 -0.3575685 -0.2094380 -2.7005273 9 O -2.3879447 -0.5793099 -0.1975179 -0.5676005 -1.7059221 0.1297136 -0.2212287 0.0446039 -2.0234715 10 O -2.3879447 0.5793099 -0.1975179 0.5676005 -1.7059221 -0.1297136 -0.2212287 -0.0446039 -2.0234715 11 O -2.3879447 -0.5793099 -0.1975179 -0.5676005 -1.7059221 0.1297136 -0.2212287 0.0446039 -2.0234715 12 O -2.3879447 0.5793099 -0.1975179 0.5676005 -1.7059221 -0.1297136 -0.2212287 -0.0446039 -2.0234715 13 O -1.8392769 -0.5139466 0.4688698 -0.6146680 -2.4480831 0.2500166 0.3983896 0.2089143 -1.4186073 14 O -1.8392769 0.5139466 0.4688698 0.6146680 -2.4480831 -0.2500166 0.3983896 -0.2089143 -1.4186073 15 O -1.8392769 -0.5139466 0.4688698 -0.6146680 -2.4480831 0.2500166 0.3983896 0.2089143 -1.4186073 16 O -1.8392769 0.5139466 0.4688698 0.6146680 -2.4480831 -0.2500166 0.3983896 -0.2089143 -1.4186073 17 O -2.1446553 0.3949232 -0.1187244 0.4340675 -1.8791532 -0.4526200 -0.0612512 -0.4554744 -1.8550462 18 O -2.5218262 0.3676583 -0.2436661 0.3482572 -1.5395684 -0.1776809 -0.2510735 -0.1582803 -1.9579410 19 O -2.5218262 0.3676583 -0.2436661 0.3482572 -1.5395684 -0.1776809 -0.2510735 -0.1582803 -1.9579410 20 O -2.5218262 -0.3676583 -0.2436661 -0.3482572 -1.5395684 0.1776809 -0.2510735 0.1582803 -1.9579410 21 O -1.5211443 0.0146865 -0.5346321 0.0304612 -2.1309754 0.1557608 -0.5983952 0.2531700 -2.3931249 22 O -1.5211443 -0.0146865 -0.5346321 -0.0304612 -2.1309754 -0.1557608 -0.5983952 -0.2531700 -2.3931249 23 O -1.5211443 0.0146865 -0.5346321 0.0304612 -2.1309754 0.1557608 -0.5983952 0.2531700 -2.3931249 24 O -1.5211443 -0.0146865 -0.5346321 -0.0304612 -2.1309754 -0.1557608 -0.5983952 -0.2531700 -2.3931249 25 O -1.9125340 0.6130604 0.2462500 0.7536682 -1.8527678 -0.4899093 0.3610649 -0.4634625 -1.8137840 26 O -1.9125340 -0.6130604 0.2462500 -0.7536682 -1.8527678 0.4899093 0.3610649 0.4634625 -1.8137840 27 O -1.9125340 0.6130604 0.2462500 0.7536682 -1.8527678 -0.4899093 0.3610649 -0.4634625 -1.8137840 28 O -1.9125340 -0.6130604 0.2462500 -0.7536682 -1.8527678 0.4899093 0.3610649 0.4634625 -1.8137840 29 O -1.9134140 -0.0360009 0.2802438 0.0560410 -2.0667060 0.2313502 0.3361791 0.2321699 -2.0767280 30 O -1.9134140 0.0360009 0.2802438 -0.0560410 -2.0667060 -0.2313502 0.3361791 -0.2321699 -2.0767280 31 O -1.9134140 -0.0360009 0.2802438 0.0560410 -2.0667060 0.2313502 0.3361791 0.2321699 -2.0767280 32 O -1.9134140 0.0360009 0.2802438 -0.0560410 -2.0667060 -0.2313502 0.3361791 -0.2321699 -2.0767280 33 O -1.8964460 0.3677237 -0.2815370 0.3636536 -1.5904374 -0.3642813 -0.2612672 -0.3851309 -2.4965730 34 O -1.8964460 -0.3677237 -0.2815370 -0.3636536 -1.5904374 0.3642813 -0.2612672 0.3851309 -2.4965730 35 O -1.8964460 0.3677237 -0.2815370 0.3636536 -1.5904374 -0.3642813 -0.2612672 -0.3851309 -2.4965730 36 O -1.8964460 -0.3677237 -0.2815370 -0.3636536 -1.5904374 0.3642813 -0.2612672 0.3851309 -2.4965730 37 O -2.1446553 -0.3949232 -0.1187244 -0.4340675 -1.8791532 0.4526200 -0.0612512 0.4554744 -1.8550462 38 O -2.1446553 0.3949232 -0.1187244 0.4340675 -1.8791532 -0.4526200 -0.0612512 -0.4554744 -1.8550462 39 O -2.1446553 -0.3949232 -0.1187244 -0.4340675 -1.8791532 0.4526200 -0.0612512 0.4554744 -1.8550462 40 O -2.5218262 -0.3676583 -0.2436661 -0.3482572 -1.5395684 0.1776809 -0.2510735 0.1582803 -1.9579410 41 F -1.1593621 0.1194146 0.3320189 0.0284837 -1.8820993 0.1358858 0.3479796 0.1172767 -1.1022190 42 F -1.1593621 -0.1194146 0.3320189 -0.0284837 -1.8820993 -0.1358858 0.3479796 -0.1172767 -1.1022190 43 F -1.1593621 -0.1194146 0.3320189 -0.0284837 -1.8820993 -0.1358858 0.3479796 -0.1172767 -1.1022190 44 F -1.1593621 0.1194146 0.3320189 0.0284837 -1.8820993 0.1358858 0.3479796 0.1172767 -1.1022190 45 Si 3.3144791 -0.2689803 -0.2090096 0.0362862 3.1287317 -0.1543525 -0.0007746 -0.0967052 3.3847011 46 Si 3.5004236 0.1920518 -0.0702686 0.2954857 3.5575037 0.0283438 0.0844289 0.3356899 3.0022761 47 Si 3.5004236 -0.1920518 -0.0702686 -0.2954857 3.5575037 -0.0283438 0.0844289 -0.3356899 3.0022761 48 Si 3.5004236 0.1920518 -0.0702686 0.2954857 3.5575037 0.0283438 0.0844289 0.3356899 3.0022761 49 Si 3.2375020 0.0895129 0.2713545 0.2875451 2.8736024 -0.0116287 -0.0702965 -0.0609658 3.3600306 50 Si 3.2375020 -0.0895129 0.2713545 -0.2875451 2.8736024 0.0116287 -0.0702965 0.0609658 3.3600306 51 Si 3.2375020 0.0895129 0.2713545 0.2875451 2.8736024 -0.0116287 -0.0702965 -0.0609658 3.3600306 52 Si 3.2375020 -0.0895129 0.2713545 -0.2875451 2.8736024 0.0116287 -0.0702965 0.0609658 3.3600306 53 Si 3.3144791 0.2689803 -0.2090096 -0.0362862 3.1287317 0.1543525 -0.0007746 0.0967052 3.3847011 54 Si 3.3144791 -0.2689803 -0.2090096 0.0362862 3.1287317 -0.1543525 -0.0007746 -0.0967052 3.3847011 55 Si 3.5004236 -0.1920518 -0.0702686 -0.2954857 3.5575037 -0.0283438 0.0844289 -0.3356899 3.0022761 56 Si 3.3144791 0.2689803 -0.2090096 -0.0362862 3.1287317 0.1543525 -0.0007746 0.0967052 3.3847011 57 Y 3.8576138 0.1407499 0.0036988 0.1799359 3.5948438 0.0218841 -0.0277002 0.0633296 3.9141813 58 Y 3.8576138 -0.1407499 0.0036988 -0.1799359 3.5948438 -0.0218841 -0.0277002 -0.0633296 3.9141813 59 Y 3.8576138 0.1407499 0.0036988 0.1799359 3.5948438 0.0218841 -0.0277002 0.0633296 3.9141813 60 Y 3.8576138 -0.1407499 0.0036988 -0.1799359 3.5948438 -0.0218841 -0.0277002 -0.0633296 3.9141813 61 Y 3.4814220 0.2009202 -0.0322915 0.1187674 4.0843122 0.1492136 -0.0050237 0.2393446 3.9120999 62 Y 3.4814220 -0.2009202 -0.0322915 -0.1187674 4.0843122 -0.1492136 -0.0050237 -0.2393446 3.9120999 63 Y 3.4814220 0.2009202 -0.0322915 0.1187674 4.0843122 0.1492136 -0.0050237 0.2393446 3.9120999 64 Y 3.4814220 -0.2009202 -0.0322915 -0.1187674 4.0843122 -0.1492136 -0.0050237 -0.2393446 3.9120999 65 Y 3.9645459 -0.1814752 -0.1401844 -0.1922552 3.4869988 -0.0137130 -0.1578111 -0.0152743 4.0374992 66 Y 3.9645459 0.1814752 -0.1401844 0.1922552 3.4869988 0.0137130 -0.1578111 0.0152743 4.0374992 67 Y 3.9645459 -0.1814752 -0.1401844 -0.1922552 3.4869988 -0.0137130 -0.1578111 -0.0152743 4.0374992 68 Y 3.9645459 0.1814752 -0.1401844 0.1922552 3.4869988 0.0137130 -0.1578111 0.0152743 4.0374992 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 2080 - Time: 3.562 Solver_block: 200 / 2080 - Time: 3.112 Solver_block: 300 / 2080 - Time: 3.163 Solver_block: 400 / 2080 - Time: 3.146 Solver_block: 500 / 2080 - Time: 3.146 Solver_block: 600 / 2080 - Time: 3.118 Solver_block: 700 / 2080 - Time: 3.160 Solver_block: 800 / 2080 - Time: 3.193 Solver_block: 900 / 2080 - Time: 3.203 Solver_block: 1000 / 2080 - Time: 3.178 Solver_block: 1100 / 2080 - Time: 3.219 Solver_block: 1200 / 2080 - Time: 3.258 Solver_block: 1300 / 2080 - Time: 3.338 Solver_block: 1400 / 2080 - Time: 3.248 Solver_block: 1500 / 2080 - Time: 3.205 Solver_block: 1600 / 2080 - Time: 3.254 Solver_block: 1700 / 2080 - Time: 3.207 Solver_block: 1800 / 2080 - Time: 3.242 Solver_block: 1900 / 2080 - Time: 3.275 Solver_block: 2000 / 2080 - Time: 3.130 Solver_block: 2080 / 2080 - Time: 2.742 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 69.076 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), 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 00:50:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:50:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.315095920008792 0.000000000000000 0.000000000000000 b 0.000000000000000 11.122006250000000 0.000000000000000 c -6.003135667113935 0.000000000000000 10.280552413837940 Atomic positions (fractional): 1 O 0.34618775678765 0.90874646522899 0.87128221199780 15.999 2 O 0.65381224321235 0.40874646522899 0.62871778800220 15.999 3 O 0.65381224321235 0.09125353477101 0.12871778800220 15.999 4 O 0.34618775678765 0.59125353477101 0.37128221199780 15.999 5 O 0.89738347623024 0.52070135929205 0.86233450233271 15.999 6 O 0.10261652376976 0.02070135929205 0.63766549766729 15.999 7 O 0.10261652376976 0.47929864070795 0.13766549766729 15.999 8 O 0.89738347623024 0.97929864070795 0.36233450233271 15.999 9 O 0.50397145778758 0.89603917685713 0.19227261862694 15.999 10 O 0.49602854221242 0.39603917685712 0.30772738137306 15.999 11 O 0.49602854221242 0.10396082314287 0.80772738137306 15.999 12 O 0.50397145778758 0.60396082314287 0.69227261862694 15.999 13 O 0.80247149134410 0.60685075260503 0.62165938533542 15.999 14 O 0.19752850865590 0.10685075260503 0.87834061466458 15.999 15 O 0.19752850865590 0.39314924739497 0.37834061466458 15.999 16 O 0.80247149134410 0.89314924739497 0.12165938533542 15.999 17 O 0.48479979514556 0.64432448554790 0.19658616881843 15.999 18 O 0.10512327724200 0.72584636612473 0.61962166155837 15.999 19 O 0.89487672275800 0.27415363387527 0.38037833844162 15.999 20 O 0.10512327724200 0.77415363387527 0.11962166155838 15.999 21 O 0.71299706592781 0.82018032091681 0.48212945304266 15.999 22 O 0.28700293407219 0.32018032091681 0.01787054695734 15.999 23 O 0.28700293407219 0.17981967908319 0.51787054695734 15.999 24 O 0.71299706592781 0.67981967908319 0.98212945304266 15.999 25 O 0.88753442948479 0.82134777158538 0.73241966141994 15.999 26 O 0.11246557051521 0.32134777158538 0.76758033858006 15.999 27 O 0.11246557051521 0.17865222841462 0.26758033858006 15.999 28 O 0.88753442948479 0.67865222841462 0.23241966141994 15.999 29 O 0.35094853204333 0.97530522814537 0.36334553976123 15.999 30 O 0.64905146795667 0.47530522814537 0.13665446023877 15.999 31 O 0.64905146795667 0.02469477185463 0.63665446023877 15.999 32 O 0.35094853204333 0.52469477185463 0.86334553976123 15.999 33 O 0.85086171668336 0.94944930707877 0.89341018827907 15.999 34 O 0.14913828331664 0.44944930707877 0.60658981172093 15.999 35 O 0.14913828331664 0.05055069292123 0.10658981172093 15.999 36 O 0.85086171668336 0.55055069292123 0.39341018827907 15.999 37 O 0.48479979514556 0.85567551445210 0.69658616881843 15.999 38 O 0.51520020485444 0.35567551445210 0.80341383118157 15.999 39 O 0.51520020485444 0.14432448554790 0.30341383118157 15.999 40 O 0.89487672275800 0.22584636612473 0.88037833844163 15.999 41 F 0.75665675819262 0.28555103155900 0.06045773830572 18.998 42 F 0.24334324180738 0.78555103155900 0.43954226169428 18.998 43 F 0.75665675819262 0.21444896844100 0.56045773830572 18.998 44 F 0.24334324180738 0.71444896844100 0.93954226169428 18.998 45 Si 0.71341845334275 0.53600746987036 0.70858382257826 28.085 46 Si 0.12225988135059 0.24423748273413 0.88981926270748 28.085 47 Si 0.12225988135059 0.25576251726587 0.38981926270748 28.085 48 Si 0.87774011864941 0.75576251726587 0.11018073729252 28.085 49 Si 0.71501627366935 0.58670181623692 0.24101121712440 28.085 50 Si 0.28498372633065 0.08670181623692 0.25898878287560 28.085 51 Si 0.28498372633065 0.41329818376308 0.75898878287560 28.085 52 Si 0.71501627366935 0.91329818376308 0.74101121712440 28.085 53 Si 0.71341845334275 0.96399253012964 0.20858382257826 28.085 54 Si 0.28658154665725 0.46399253012964 0.29141617742174 28.085 55 Si 0.87774011864941 0.74423748273413 0.61018073729252 28.085 56 Si 0.28658154665725 0.03600746987036 0.79141617742174 28.085 57 Y 0.25590198332794 0.53145771842335 0.01855015052088 88.906 58 Y 0.74409801667206 0.03145771842335 0.48144984947912 88.906 59 Y 0.74409801667206 0.46854228157665 0.98144984947912 88.906 60 Y 0.25590198332794 0.96854228157665 0.51855015052088 88.906 61 Y 0.40418796769848 0.77230031449974 0.31128628044051 88.906 62 Y 0.59581203230152 0.27230031449974 0.18871371955949 88.906 63 Y 0.59581203230152 0.22769968550026 0.68871371955949 88.906 64 Y 0.40418796769848 0.72769968550026 0.81128628044051 88.906 65 Y 0.19457091023755 0.90191681503522 0.99574317603713 88.906 66 Y 0.80542908976245 0.40191681503522 0.50425682396287 88.906 67 Y 0.80542908976245 0.09808318496478 0.00425682396287 88.906 68 Y 0.19457091023755 0.59808318496478 0.49574317603713 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.630191840017584 0.000000000000000 0.000000000000000 b 0.000000000000000 11.122006250000000 0.000000000000000 c -6.003135667113935 0.000000000000000 10.280552413837940 Atomic positions (fractional): 1 O 0.17309387839383 0.90874646522899 0.87128221199780 15.999 > 1 2 O 0.67309387839383 0.90874646522899 0.87128221199780 15.999 > 1 3 O 0.32690612160617 0.40874646522899 0.62871778800220 15.999 > 3 4 O 0.82690612160617 0.40874646522899 0.62871778800220 15.999 > 3 5 O 0.32690612160617 0.09125353477101 0.12871778800220 15.999 > 5 6 O 0.82690612160617 0.09125353477101 0.12871778800220 15.999 > 5 7 O 0.17309387839383 0.59125353477101 0.37128221199780 15.999 > 7 8 O 0.67309387839383 0.59125353477101 0.37128221199780 15.999 > 7 9 O 0.44869173811512 0.52070135929205 0.86233450233271 15.999 > 9 10 O 0.94869173811512 0.52070135929205 0.86233450233271 15.999 > 9 11 O 0.05130826188488 0.02070135929205 0.63766549766729 15.999 > 11 12 O 0.55130826188488 0.02070135929205 0.63766549766729 15.999 > 11 13 O 0.05130826188488 0.47929864070795 0.13766549766729 15.999 > 13 14 O 0.55130826188488 0.47929864070795 0.13766549766729 15.999 > 13 15 O 0.44869173811512 0.97929864070795 0.36233450233271 15.999 > 15 16 O 0.94869173811512 0.97929864070795 0.36233450233271 15.999 > 15 17 O 0.25198572889379 0.89603917685713 0.19227261862694 15.999 > 17 18 O 0.75198572889379 0.89603917685713 0.19227261862694 15.999 > 17 19 O 0.24801427110621 0.39603917685712 0.30772738137306 15.999 > 19 20 O 0.74801427110621 0.39603917685712 0.30772738137306 15.999 > 19 21 O 0.24801427110621 0.10396082314287 0.80772738137306 15.999 > 21 22 O 0.74801427110621 0.10396082314287 0.80772738137306 15.999 > 21 23 O 0.25198572889379 0.60396082314287 0.69227261862694 15.999 > 23 24 O 0.75198572889379 0.60396082314287 0.69227261862694 15.999 > 23 25 O 0.40123574567205 0.60685075260503 0.62165938533542 15.999 > 25 26 O 0.90123574567205 0.60685075260503 0.62165938533542 15.999 > 25 27 O 0.09876425432795 0.10685075260503 0.87834061466458 15.999 > 27 28 O 0.59876425432795 0.10685075260503 0.87834061466458 15.999 > 27 29 O 0.09876425432795 0.39314924739497 0.37834061466458 15.999 > 29 30 O 0.59876425432795 0.39314924739497 0.37834061466458 15.999 > 29 31 O 0.40123574567205 0.89314924739497 0.12165938533542 15.999 > 31 32 O 0.90123574567205 0.89314924739497 0.12165938533542 15.999 > 31 33 O 0.24239989757278 0.64432448554790 0.19658616881843 15.999 > 33 34 O 0.74239989757278 0.64432448554790 0.19658616881843 15.999 > 33 35 O 0.05256163862100 0.72584636612473 0.61962166155837 15.999 > 35 36 O 0.55256163862100 0.72584636612473 0.61962166155837 15.999 > 35 37 O 0.44743836137900 0.27415363387527 0.38037833844162 15.999 > 37 38 O 0.94743836137900 0.27415363387527 0.38037833844162 15.999 > 37 39 O 0.05256163862100 0.77415363387527 0.11962166155838 15.999 > 39 40 O 0.55256163862100 0.77415363387527 0.11962166155838 15.999 > 39 41 O 0.35649853296391 0.82018032091681 0.48212945304266 15.999 > 41 42 O 0.85649853296391 0.82018032091681 0.48212945304266 15.999 > 41 43 O 0.14350146703609 0.32018032091681 0.01787054695734 15.999 > 43 44 O 0.64350146703609 0.32018032091681 0.01787054695734 15.999 > 43 45 O 0.14350146703609 0.17981967908319 0.51787054695734 15.999 > 45 46 O 0.64350146703609 0.17981967908319 0.51787054695734 15.999 > 45 47 O 0.35649853296391 0.67981967908319 0.98212945304266 15.999 > 47 48 O 0.85649853296391 0.67981967908319 0.98212945304266 15.999 > 47 49 O 0.44376721474239 0.82134777158538 0.73241966141994 15.999 > 49 50 O 0.94376721474239 0.82134777158538 0.73241966141994 15.999 > 49 51 O 0.05623278525761 0.32134777158538 0.76758033858006 15.999 > 51 52 O 0.55623278525761 0.32134777158538 0.76758033858006 15.999 > 51 53 O 0.05623278525761 0.17865222841462 0.26758033858006 15.999 > 53 54 O 0.55623278525761 0.17865222841462 0.26758033858006 15.999 > 53 55 O 0.44376721474239 0.67865222841462 0.23241966141994 15.999 > 55 56 O 0.94376721474239 0.67865222841462 0.23241966141994 15.999 > 55 57 O 0.17547426602167 0.97530522814537 0.36334553976123 15.999 > 57 58 O 0.67547426602167 0.97530522814537 0.36334553976123 15.999 > 57 59 O 0.32452573397833 0.47530522814537 0.13665446023877 15.999 > 59 60 O 0.82452573397833 0.47530522814537 0.13665446023877 15.999 > 59 61 O 0.32452573397833 0.02469477185463 0.63665446023877 15.999 > 61 62 O 0.82452573397833 0.02469477185463 0.63665446023877 15.999 > 61 63 O 0.17547426602167 0.52469477185463 0.86334553976123 15.999 > 63 64 O 0.67547426602167 0.52469477185463 0.86334553976123 15.999 > 63 65 O 0.42543085834168 0.94944930707877 0.89341018827907 15.999 > 65 66 O 0.92543085834168 0.94944930707877 0.89341018827907 15.999 > 65 67 O 0.07456914165832 0.44944930707877 0.60658981172093 15.999 > 67 68 O 0.57456914165832 0.44944930707877 0.60658981172093 15.999 > 67 69 O 0.07456914165832 0.05055069292123 0.10658981172093 15.999 > 69 70 O 0.57456914165832 0.05055069292123 0.10658981172093 15.999 > 69 71 O 0.42543085834168 0.55055069292123 0.39341018827907 15.999 > 71 72 O 0.92543085834168 0.55055069292123 0.39341018827907 15.999 > 71 73 O 0.24239989757278 0.85567551445210 0.69658616881843 15.999 > 73 74 O 0.74239989757278 0.85567551445210 0.69658616881843 15.999 > 73 75 O 0.25760010242722 0.35567551445210 0.80341383118157 15.999 > 75 76 O 0.75760010242722 0.35567551445210 0.80341383118157 15.999 > 75 77 O 0.25760010242722 0.14432448554790 0.30341383118157 15.999 > 77 78 O 0.75760010242722 0.14432448554790 0.30341383118157 15.999 > 77 79 O 0.44743836137900 0.22584636612473 0.88037833844163 15.999 > 79 80 O 0.94743836137900 0.22584636612473 0.88037833844163 15.999 > 79 81 F 0.37832837909631 0.28555103155900 0.06045773830572 18.998 > 81 82 F 0.87832837909631 0.28555103155900 0.06045773830572 18.998 > 81 83 F 0.12167162090369 0.78555103155900 0.43954226169428 18.998 > 83 84 F 0.62167162090369 0.78555103155900 0.43954226169428 18.998 > 83 85 F 0.37832837909631 0.21444896844100 0.56045773830572 18.998 > 85 86 F 0.87832837909631 0.21444896844100 0.56045773830572 18.998 > 85 87 F 0.12167162090369 0.71444896844100 0.93954226169428 18.998 > 87 88 F 0.62167162090369 0.71444896844100 0.93954226169428 18.998 > 87 89 Si 0.35670922667138 0.53600746987036 0.70858382257826 28.085 > 89 90 Si 0.85670922667138 0.53600746987036 0.70858382257826 28.085 > 89 91 Si 0.06112994067530 0.24423748273413 0.88981926270748 28.085 > 91 92 Si 0.56112994067529 0.24423748273413 0.88981926270748 28.085 > 91 93 Si 0.06112994067530 0.25576251726587 0.38981926270748 28.085 > 93 94 Si 0.56112994067529 0.25576251726587 0.38981926270748 28.085 > 93 95 Si 0.43887005932471 0.75576251726587 0.11018073729252 28.085 > 95 96 Si 0.93887005932471 0.75576251726587 0.11018073729252 28.085 > 95 97 Si 0.35750813683467 0.58670181623692 0.24101121712440 28.085 > 97 98 Si 0.85750813683467 0.58670181623692 0.24101121712440 28.085 > 97 99 Si 0.14249186316533 0.08670181623692 0.25898878287560 28.085 > 99 100 Si 0.64249186316533 0.08670181623692 0.25898878287560 28.085 > 99 101 Si 0.14249186316533 0.41329818376308 0.75898878287560 28.085 > 101 102 Si 0.64249186316533 0.41329818376308 0.75898878287560 28.085 > 101 103 Si 0.35750813683467 0.91329818376308 0.74101121712440 28.085 > 103 104 Si 0.85750813683467 0.91329818376308 0.74101121712440 28.085 > 103 105 Si 0.35670922667138 0.96399253012964 0.20858382257826 28.085 > 105 106 Si 0.85670922667138 0.96399253012964 0.20858382257826 28.085 > 105 107 Si 0.14329077332862 0.46399253012964 0.29141617742174 28.085 > 107 108 Si 0.64329077332862 0.46399253012964 0.29141617742174 28.085 > 107 109 Si 0.43887005932471 0.74423748273413 0.61018073729252 28.085 > 109 110 Si 0.93887005932471 0.74423748273413 0.61018073729252 28.085 > 109 111 Si 0.14329077332862 0.03600746987036 0.79141617742174 28.085 > 111 112 Si 0.64329077332862 0.03600746987036 0.79141617742174 28.085 > 111 113 Y 0.12795099166397 0.53145771842335 0.01855015052088 88.906 > 113 114 Y 0.62795099166397 0.53145771842335 0.01855015052088 88.906 > 113 115 Y 0.37204900833603 0.03145771842335 0.48144984947912 88.906 > 115 116 Y 0.87204900833603 0.03145771842335 0.48144984947912 88.906 > 115 117 Y 0.37204900833603 0.46854228157665 0.98144984947912 88.906 > 117 118 Y 0.87204900833603 0.46854228157665 0.98144984947912 88.906 > 117 119 Y 0.12795099166397 0.96854228157665 0.51855015052088 88.906 > 119 120 Y 0.62795099166397 0.96854228157665 0.51855015052088 88.906 > 119 121 Y 0.20209398384924 0.77230031449974 0.31128628044051 88.906 > 121 122 Y 0.70209398384924 0.77230031449974 0.31128628044051 88.906 > 121 123 Y 0.29790601615076 0.27230031449974 0.18871371955949 88.906 > 123 124 Y 0.79790601615076 0.27230031449974 0.18871371955949 88.906 > 123 125 Y 0.29790601615076 0.22769968550026 0.68871371955949 88.906 > 125 126 Y 0.79790601615076 0.22769968550026 0.68871371955949 88.906 > 125 127 Y 0.20209398384924 0.72769968550026 0.81128628044051 88.906 > 127 128 Y 0.70209398384924 0.72769968550026 0.81128628044051 88.906 > 127 129 Y 0.09728545511877 0.90191681503522 0.99574317603713 88.906 > 129 130 Y 0.59728545511877 0.90191681503522 0.99574317603713 88.906 > 129 131 Y 0.40271454488123 0.40191681503522 0.50425682396287 88.906 > 131 132 Y 0.90271454488123 0.40191681503522 0.50425682396287 88.906 > 131 133 Y 0.40271454488123 0.09808318496478 0.00425682396287 88.906 > 133 134 Y 0.90271454488123 0.09808318496478 0.00425682396287 88.906 > 133 135 Y 0.09728545511877 0.59808318496478 0.49574317603713 88.906 > 135 136 Y 0.59728545511877 0.59808318496478 0.49574317603713 88.906 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3138429 0.0000000 -0.0010550 0.0000000 3.2317079 0.0000000 -0.0010545 0.0000000 3.3693634 -------------------------- Born effective charges -------------------------- 1 O -1.8543186 0.1235640 0.5330014 0.1581808 -2.4186603 0.1332617 0.4843486 0.1609919 -1.7727659 2 O -1.8543186 -0.1235640 0.5330014 -0.1581808 -2.4186603 -0.1332617 0.4843486 -0.1609919 -1.7727659 3 O -1.8543186 0.1235640 0.5330014 0.1581808 -2.4186603 0.1332617 0.4843486 0.1609919 -1.7727659 4 O -1.8543186 -0.1235640 0.5330014 -0.1581808 -2.4186603 -0.1332617 0.4843486 -0.1609919 -1.7727659 5 O -2.2050644 -0.0791637 -0.3076057 -0.0812525 -1.2116198 0.1581954 -0.3575685 0.2094380 -2.7005273 6 O -2.2050644 0.0791637 -0.3076057 0.0812525 -1.2116198 -0.1581954 -0.3575685 -0.2094380 -2.7005273 7 O -2.2050644 -0.0791637 -0.3076057 -0.0812525 -1.2116198 0.1581954 -0.3575685 0.2094380 -2.7005273 8 O -2.2050644 0.0791637 -0.3076057 0.0812525 -1.2116198 -0.1581954 -0.3575685 -0.2094380 -2.7005273 9 O -2.3879447 -0.5793099 -0.1975179 -0.5676005 -1.7059221 0.1297136 -0.2212287 0.0446039 -2.0234715 10 O -2.3879447 0.5793099 -0.1975179 0.5676005 -1.7059221 -0.1297136 -0.2212287 -0.0446039 -2.0234715 11 O -2.3879447 -0.5793099 -0.1975179 -0.5676005 -1.7059221 0.1297136 -0.2212287 0.0446039 -2.0234715 12 O -2.3879447 0.5793099 -0.1975179 0.5676005 -1.7059221 -0.1297136 -0.2212287 -0.0446039 -2.0234715 13 O -1.8392769 -0.5139466 0.4688698 -0.6146680 -2.4480831 0.2500166 0.3983896 0.2089143 -1.4186073 14 O -1.8392769 0.5139466 0.4688698 0.6146680 -2.4480831 -0.2500166 0.3983896 -0.2089143 -1.4186073 15 O -1.8392769 -0.5139466 0.4688698 -0.6146680 -2.4480831 0.2500166 0.3983896 0.2089143 -1.4186073 16 O -1.8392769 0.5139466 0.4688698 0.6146680 -2.4480831 -0.2500166 0.3983896 -0.2089143 -1.4186073 17 O -2.1446553 0.3949232 -0.1187244 0.4340675 -1.8791532 -0.4526200 -0.0612512 -0.4554744 -1.8550462 18 O -2.5218262 0.3676583 -0.2436661 0.3482572 -1.5395684 -0.1776809 -0.2510735 -0.1582803 -1.9579410 19 O -2.5218262 0.3676583 -0.2436661 0.3482572 -1.5395684 -0.1776809 -0.2510735 -0.1582803 -1.9579410 20 O -2.5218262 -0.3676583 -0.2436661 -0.3482572 -1.5395684 0.1776809 -0.2510735 0.1582803 -1.9579410 21 O -1.5211443 0.0146865 -0.5346321 0.0304612 -2.1309754 0.1557608 -0.5983952 0.2531700 -2.3931249 22 O -1.5211443 -0.0146865 -0.5346321 -0.0304612 -2.1309754 -0.1557608 -0.5983952 -0.2531700 -2.3931249 23 O -1.5211443 0.0146865 -0.5346321 0.0304612 -2.1309754 0.1557608 -0.5983952 0.2531700 -2.3931249 24 O -1.5211443 -0.0146865 -0.5346321 -0.0304612 -2.1309754 -0.1557608 -0.5983952 -0.2531700 -2.3931249 25 O -1.9125340 0.6130604 0.2462500 0.7536682 -1.8527678 -0.4899093 0.3610649 -0.4634625 -1.8137840 26 O -1.9125340 -0.6130604 0.2462500 -0.7536682 -1.8527678 0.4899093 0.3610649 0.4634625 -1.8137840 27 O -1.9125340 0.6130604 0.2462500 0.7536682 -1.8527678 -0.4899093 0.3610649 -0.4634625 -1.8137840 28 O -1.9125340 -0.6130604 0.2462500 -0.7536682 -1.8527678 0.4899093 0.3610649 0.4634625 -1.8137840 29 O -1.9134140 -0.0360009 0.2802438 0.0560410 -2.0667060 0.2313502 0.3361791 0.2321699 -2.0767280 30 O -1.9134140 0.0360009 0.2802438 -0.0560410 -2.0667060 -0.2313502 0.3361791 -0.2321699 -2.0767280 31 O -1.9134140 -0.0360009 0.2802438 0.0560410 -2.0667060 0.2313502 0.3361791 0.2321699 -2.0767280 32 O -1.9134140 0.0360009 0.2802438 -0.0560410 -2.0667060 -0.2313502 0.3361791 -0.2321699 -2.0767280 33 O -1.8964460 0.3677237 -0.2815370 0.3636536 -1.5904374 -0.3642813 -0.2612672 -0.3851309 -2.4965730 34 O -1.8964460 -0.3677237 -0.2815370 -0.3636536 -1.5904374 0.3642813 -0.2612672 0.3851309 -2.4965730 35 O -1.8964460 0.3677237 -0.2815370 0.3636536 -1.5904374 -0.3642813 -0.2612672 -0.3851309 -2.4965730 36 O -1.8964460 -0.3677237 -0.2815370 -0.3636536 -1.5904374 0.3642813 -0.2612672 0.3851309 -2.4965730 37 O -2.1446553 -0.3949232 -0.1187244 -0.4340675 -1.8791532 0.4526200 -0.0612512 0.4554744 -1.8550462 38 O -2.1446553 0.3949232 -0.1187244 0.4340675 -1.8791532 -0.4526200 -0.0612512 -0.4554744 -1.8550462 39 O -2.1446553 -0.3949232 -0.1187244 -0.4340675 -1.8791532 0.4526200 -0.0612512 0.4554744 -1.8550462 40 O -2.5218262 -0.3676583 -0.2436661 -0.3482572 -1.5395684 0.1776809 -0.2510735 0.1582803 -1.9579410 41 F -1.1593621 0.1194146 0.3320189 0.0284837 -1.8820993 0.1358858 0.3479796 0.1172767 -1.1022190 42 F -1.1593621 -0.1194146 0.3320189 -0.0284837 -1.8820993 -0.1358858 0.3479796 -0.1172767 -1.1022190 43 F -1.1593621 -0.1194146 0.3320189 -0.0284837 -1.8820993 -0.1358858 0.3479796 -0.1172767 -1.1022190 44 F -1.1593621 0.1194146 0.3320189 0.0284837 -1.8820993 0.1358858 0.3479796 0.1172767 -1.1022190 45 Si 3.3144791 -0.2689803 -0.2090096 0.0362862 3.1287317 -0.1543525 -0.0007746 -0.0967052 3.3847011 46 Si 3.5004236 0.1920518 -0.0702686 0.2954857 3.5575037 0.0283438 0.0844289 0.3356899 3.0022761 47 Si 3.5004236 -0.1920518 -0.0702686 -0.2954857 3.5575037 -0.0283438 0.0844289 -0.3356899 3.0022761 48 Si 3.5004236 0.1920518 -0.0702686 0.2954857 3.5575037 0.0283438 0.0844289 0.3356899 3.0022761 49 Si 3.2375020 0.0895129 0.2713545 0.2875451 2.8736024 -0.0116287 -0.0702965 -0.0609658 3.3600306 50 Si 3.2375020 -0.0895129 0.2713545 -0.2875451 2.8736024 0.0116287 -0.0702965 0.0609658 3.3600306 51 Si 3.2375020 0.0895129 0.2713545 0.2875451 2.8736024 -0.0116287 -0.0702965 -0.0609658 3.3600306 52 Si 3.2375020 -0.0895129 0.2713545 -0.2875451 2.8736024 0.0116287 -0.0702965 0.0609658 3.3600306 53 Si 3.3144791 0.2689803 -0.2090096 -0.0362862 3.1287317 0.1543525 -0.0007746 0.0967052 3.3847011 54 Si 3.3144791 -0.2689803 -0.2090096 0.0362862 3.1287317 -0.1543525 -0.0007746 -0.0967052 3.3847011 55 Si 3.5004236 -0.1920518 -0.0702686 -0.2954857 3.5575037 -0.0283438 0.0844289 -0.3356899 3.0022761 56 Si 3.3144791 0.2689803 -0.2090096 -0.0362862 3.1287317 0.1543525 -0.0007746 0.0967052 3.3847011 57 Y 3.8576138 0.1407499 0.0036988 0.1799359 3.5948438 0.0218841 -0.0277002 0.0633296 3.9141813 58 Y 3.8576138 -0.1407499 0.0036988 -0.1799359 3.5948438 -0.0218841 -0.0277002 -0.0633296 3.9141813 59 Y 3.8576138 0.1407499 0.0036988 0.1799359 3.5948438 0.0218841 -0.0277002 0.0633296 3.9141813 60 Y 3.8576138 -0.1407499 0.0036988 -0.1799359 3.5948438 -0.0218841 -0.0277002 -0.0633296 3.9141813 61 Y 3.4814220 0.2009202 -0.0322915 0.1187674 4.0843122 0.1492136 -0.0050237 0.2393446 3.9120999 62 Y 3.4814220 -0.2009202 -0.0322915 -0.1187674 4.0843122 -0.1492136 -0.0050237 -0.2393446 3.9120999 63 Y 3.4814220 0.2009202 -0.0322915 0.1187674 4.0843122 0.1492136 -0.0050237 0.2393446 3.9120999 64 Y 3.4814220 -0.2009202 -0.0322915 -0.1187674 4.0843122 -0.1492136 -0.0050237 -0.2393446 3.9120999 65 Y 3.9645459 -0.1814752 -0.1401844 -0.1922552 3.4869988 -0.0137130 -0.1578111 -0.0152743 4.0374992 66 Y 3.9645459 0.1814752 -0.1401844 0.1922552 3.4869988 0.0137130 -0.1578111 0.0152743 4.0374992 67 Y 3.9645459 -0.1814752 -0.1401844 -0.1922552 3.4869988 -0.0137130 -0.1578111 -0.0152743 4.0374992 68 Y 3.9645459 0.1814752 -0.1401844 0.1922552 3.4869988 0.0137130 -0.1578111 0.0152743 4.0374992 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 35, 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 91, 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 113, 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 121, 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 129, 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:51:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:51:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.315095920008792 0.000000000000000 0.000000000000000 b 0.000000000000000 11.122006250000000 0.000000000000000 c -6.003135667113935 0.000000000000000 10.280552413837940 Atomic positions (fractional): 1 O 0.34618775678765 0.90874646522899 0.87128221199780 15.999 2 O 0.65381224321235 0.40874646522899 0.62871778800220 15.999 3 O 0.65381224321235 0.09125353477101 0.12871778800220 15.999 4 O 0.34618775678765 0.59125353477101 0.37128221199780 15.999 5 O 0.89738347623024 0.52070135929205 0.86233450233271 15.999 6 O 0.10261652376976 0.02070135929205 0.63766549766729 15.999 7 O 0.10261652376976 0.47929864070795 0.13766549766729 15.999 8 O 0.89738347623024 0.97929864070795 0.36233450233271 15.999 9 O 0.50397145778758 0.89603917685713 0.19227261862694 15.999 10 O 0.49602854221242 0.39603917685712 0.30772738137306 15.999 11 O 0.49602854221242 0.10396082314287 0.80772738137306 15.999 12 O 0.50397145778758 0.60396082314287 0.69227261862694 15.999 13 O 0.80247149134410 0.60685075260503 0.62165938533542 15.999 14 O 0.19752850865590 0.10685075260503 0.87834061466458 15.999 15 O 0.19752850865590 0.39314924739497 0.37834061466458 15.999 16 O 0.80247149134410 0.89314924739497 0.12165938533542 15.999 17 O 0.48479979514556 0.64432448554790 0.19658616881843 15.999 18 O 0.10512327724200 0.72584636612473 0.61962166155837 15.999 19 O 0.89487672275800 0.27415363387527 0.38037833844162 15.999 20 O 0.10512327724200 0.77415363387527 0.11962166155838 15.999 21 O 0.71299706592781 0.82018032091681 0.48212945304266 15.999 22 O 0.28700293407219 0.32018032091681 0.01787054695734 15.999 23 O 0.28700293407219 0.17981967908319 0.51787054695734 15.999 24 O 0.71299706592781 0.67981967908319 0.98212945304266 15.999 25 O 0.88753442948479 0.82134777158538 0.73241966141994 15.999 26 O 0.11246557051521 0.32134777158538 0.76758033858006 15.999 27 O 0.11246557051521 0.17865222841462 0.26758033858006 15.999 28 O 0.88753442948479 0.67865222841462 0.23241966141994 15.999 29 O 0.35094853204333 0.97530522814537 0.36334553976123 15.999 30 O 0.64905146795667 0.47530522814537 0.13665446023877 15.999 31 O 0.64905146795667 0.02469477185463 0.63665446023877 15.999 32 O 0.35094853204333 0.52469477185463 0.86334553976123 15.999 33 O 0.85086171668336 0.94944930707877 0.89341018827907 15.999 34 O 0.14913828331664 0.44944930707877 0.60658981172093 15.999 35 O 0.14913828331664 0.05055069292123 0.10658981172093 15.999 36 O 0.85086171668336 0.55055069292123 0.39341018827907 15.999 37 O 0.48479979514556 0.85567551445210 0.69658616881843 15.999 38 O 0.51520020485444 0.35567551445210 0.80341383118157 15.999 39 O 0.51520020485444 0.14432448554790 0.30341383118157 15.999 40 O 0.89487672275800 0.22584636612473 0.88037833844163 15.999 41 F 0.75665675819262 0.28555103155900 0.06045773830572 18.998 42 F 0.24334324180738 0.78555103155900 0.43954226169428 18.998 43 F 0.75665675819262 0.21444896844100 0.56045773830572 18.998 44 F 0.24334324180738 0.71444896844100 0.93954226169428 18.998 45 Si 0.71341845334275 0.53600746987036 0.70858382257826 28.085 46 Si 0.12225988135059 0.24423748273413 0.88981926270748 28.085 47 Si 0.12225988135059 0.25576251726587 0.38981926270748 28.085 48 Si 0.87774011864941 0.75576251726587 0.11018073729252 28.085 49 Si 0.71501627366935 0.58670181623692 0.24101121712440 28.085 50 Si 0.28498372633065 0.08670181623692 0.25898878287560 28.085 51 Si 0.28498372633065 0.41329818376308 0.75898878287560 28.085 52 Si 0.71501627366935 0.91329818376308 0.74101121712440 28.085 53 Si 0.71341845334275 0.96399253012964 0.20858382257826 28.085 54 Si 0.28658154665725 0.46399253012964 0.29141617742174 28.085 55 Si 0.87774011864941 0.74423748273413 0.61018073729252 28.085 56 Si 0.28658154665725 0.03600746987036 0.79141617742174 28.085 57 Y 0.25590198332794 0.53145771842335 0.01855015052088 88.906 58 Y 0.74409801667206 0.03145771842335 0.48144984947912 88.906 59 Y 0.74409801667206 0.46854228157665 0.98144984947912 88.906 60 Y 0.25590198332794 0.96854228157665 0.51855015052088 88.906 61 Y 0.40418796769848 0.77230031449974 0.31128628044051 88.906 62 Y 0.59581203230152 0.27230031449974 0.18871371955949 88.906 63 Y 0.59581203230152 0.22769968550026 0.68871371955949 88.906 64 Y 0.40418796769848 0.72769968550026 0.81128628044051 88.906 65 Y 0.19457091023755 0.90191681503522 0.99574317603713 88.906 66 Y 0.80542908976245 0.40191681503522 0.50425682396287 88.906 67 Y 0.80542908976245 0.09808318496478 0.00425682396287 88.906 68 Y 0.19457091023755 0.59808318496478 0.49574317603713 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.630191840017584 0.000000000000000 0.000000000000000 b 0.000000000000000 11.122006250000000 0.000000000000000 c -6.003135667113935 0.000000000000000 10.280552413837940 Atomic positions (fractional): 1 O 0.17309387839383 0.90874646522899 0.87128221199780 15.999 > 1 2 O 0.67309387839383 0.90874646522899 0.87128221199780 15.999 > 1 3 O 0.32690612160617 0.40874646522899 0.62871778800220 15.999 > 3 4 O 0.82690612160617 0.40874646522899 0.62871778800220 15.999 > 3 5 O 0.32690612160617 0.09125353477101 0.12871778800220 15.999 > 5 6 O 0.82690612160617 0.09125353477101 0.12871778800220 15.999 > 5 7 O 0.17309387839383 0.59125353477101 0.37128221199780 15.999 > 7 8 O 0.67309387839383 0.59125353477101 0.37128221199780 15.999 > 7 9 O 0.44869173811512 0.52070135929205 0.86233450233271 15.999 > 9 10 O 0.94869173811512 0.52070135929205 0.86233450233271 15.999 > 9 11 O 0.05130826188488 0.02070135929205 0.63766549766729 15.999 > 11 12 O 0.55130826188488 0.02070135929205 0.63766549766729 15.999 > 11 13 O 0.05130826188488 0.47929864070795 0.13766549766729 15.999 > 13 14 O 0.55130826188488 0.47929864070795 0.13766549766729 15.999 > 13 15 O 0.44869173811512 0.97929864070795 0.36233450233271 15.999 > 15 16 O 0.94869173811512 0.97929864070795 0.36233450233271 15.999 > 15 17 O 0.25198572889379 0.89603917685713 0.19227261862694 15.999 > 17 18 O 0.75198572889379 0.89603917685713 0.19227261862694 15.999 > 17 19 O 0.24801427110621 0.39603917685712 0.30772738137306 15.999 > 19 20 O 0.74801427110621 0.39603917685712 0.30772738137306 15.999 > 19 21 O 0.24801427110621 0.10396082314287 0.80772738137306 15.999 > 21 22 O 0.74801427110621 0.10396082314287 0.80772738137306 15.999 > 21 23 O 0.25198572889379 0.60396082314287 0.69227261862694 15.999 > 23 24 O 0.75198572889379 0.60396082314287 0.69227261862694 15.999 > 23 25 O 0.40123574567205 0.60685075260503 0.62165938533542 15.999 > 25 26 O 0.90123574567205 0.60685075260503 0.62165938533542 15.999 > 25 27 O 0.09876425432795 0.10685075260503 0.87834061466458 15.999 > 27 28 O 0.59876425432795 0.10685075260503 0.87834061466458 15.999 > 27 29 O 0.09876425432795 0.39314924739497 0.37834061466458 15.999 > 29 30 O 0.59876425432795 0.39314924739497 0.37834061466458 15.999 > 29 31 O 0.40123574567205 0.89314924739497 0.12165938533542 15.999 > 31 32 O 0.90123574567205 0.89314924739497 0.12165938533542 15.999 > 31 33 O 0.24239989757278 0.64432448554790 0.19658616881843 15.999 > 33 34 O 0.74239989757278 0.64432448554790 0.19658616881843 15.999 > 33 35 O 0.05256163862100 0.72584636612473 0.61962166155837 15.999 > 35 36 O 0.55256163862100 0.72584636612473 0.61962166155837 15.999 > 35 37 O 0.44743836137900 0.27415363387527 0.38037833844162 15.999 > 37 38 O 0.94743836137900 0.27415363387527 0.38037833844162 15.999 > 37 39 O 0.05256163862100 0.77415363387527 0.11962166155838 15.999 > 39 40 O 0.55256163862100 0.77415363387527 0.11962166155838 15.999 > 39 41 O 0.35649853296391 0.82018032091681 0.48212945304266 15.999 > 41 42 O 0.85649853296391 0.82018032091681 0.48212945304266 15.999 > 41 43 O 0.14350146703609 0.32018032091681 0.01787054695734 15.999 > 43 44 O 0.64350146703609 0.32018032091681 0.01787054695734 15.999 > 43 45 O 0.14350146703609 0.17981967908319 0.51787054695734 15.999 > 45 46 O 0.64350146703609 0.17981967908319 0.51787054695734 15.999 > 45 47 O 0.35649853296391 0.67981967908319 0.98212945304266 15.999 > 47 48 O 0.85649853296391 0.67981967908319 0.98212945304266 15.999 > 47 49 O 0.44376721474239 0.82134777158538 0.73241966141994 15.999 > 49 50 O 0.94376721474239 0.82134777158538 0.73241966141994 15.999 > 49 51 O 0.05623278525761 0.32134777158538 0.76758033858006 15.999 > 51 52 O 0.55623278525761 0.32134777158538 0.76758033858006 15.999 > 51 53 O 0.05623278525761 0.17865222841462 0.26758033858006 15.999 > 53 54 O 0.55623278525761 0.17865222841462 0.26758033858006 15.999 > 53 55 O 0.44376721474239 0.67865222841462 0.23241966141994 15.999 > 55 56 O 0.94376721474239 0.67865222841462 0.23241966141994 15.999 > 55 57 O 0.17547426602167 0.97530522814537 0.36334553976123 15.999 > 57 58 O 0.67547426602167 0.97530522814537 0.36334553976123 15.999 > 57 59 O 0.32452573397833 0.47530522814537 0.13665446023877 15.999 > 59 60 O 0.82452573397833 0.47530522814537 0.13665446023877 15.999 > 59 61 O 0.32452573397833 0.02469477185463 0.63665446023877 15.999 > 61 62 O 0.82452573397833 0.02469477185463 0.63665446023877 15.999 > 61 63 O 0.17547426602167 0.52469477185463 0.86334553976123 15.999 > 63 64 O 0.67547426602167 0.52469477185463 0.86334553976123 15.999 > 63 65 O 0.42543085834168 0.94944930707877 0.89341018827907 15.999 > 65 66 O 0.92543085834168 0.94944930707877 0.89341018827907 15.999 > 65 67 O 0.07456914165832 0.44944930707877 0.60658981172093 15.999 > 67 68 O 0.57456914165832 0.44944930707877 0.60658981172093 15.999 > 67 69 O 0.07456914165832 0.05055069292123 0.10658981172093 15.999 > 69 70 O 0.57456914165832 0.05055069292123 0.10658981172093 15.999 > 69 71 O 0.42543085834168 0.55055069292123 0.39341018827907 15.999 > 71 72 O 0.92543085834168 0.55055069292123 0.39341018827907 15.999 > 71 73 O 0.24239989757278 0.85567551445210 0.69658616881843 15.999 > 73 74 O 0.74239989757278 0.85567551445210 0.69658616881843 15.999 > 73 75 O 0.25760010242722 0.35567551445210 0.80341383118157 15.999 > 75 76 O 0.75760010242722 0.35567551445210 0.80341383118157 15.999 > 75 77 O 0.25760010242722 0.14432448554790 0.30341383118157 15.999 > 77 78 O 0.75760010242722 0.14432448554790 0.30341383118157 15.999 > 77 79 O 0.44743836137900 0.22584636612473 0.88037833844163 15.999 > 79 80 O 0.94743836137900 0.22584636612473 0.88037833844163 15.999 > 79 81 F 0.37832837909631 0.28555103155900 0.06045773830572 18.998 > 81 82 F 0.87832837909631 0.28555103155900 0.06045773830572 18.998 > 81 83 F 0.12167162090369 0.78555103155900 0.43954226169428 18.998 > 83 84 F 0.62167162090369 0.78555103155900 0.43954226169428 18.998 > 83 85 F 0.37832837909631 0.21444896844100 0.56045773830572 18.998 > 85 86 F 0.87832837909631 0.21444896844100 0.56045773830572 18.998 > 85 87 F 0.12167162090369 0.71444896844100 0.93954226169428 18.998 > 87 88 F 0.62167162090369 0.71444896844100 0.93954226169428 18.998 > 87 89 Si 0.35670922667138 0.53600746987036 0.70858382257826 28.085 > 89 90 Si 0.85670922667138 0.53600746987036 0.70858382257826 28.085 > 89 91 Si 0.06112994067530 0.24423748273413 0.88981926270748 28.085 > 91 92 Si 0.56112994067529 0.24423748273413 0.88981926270748 28.085 > 91 93 Si 0.06112994067530 0.25576251726587 0.38981926270748 28.085 > 93 94 Si 0.56112994067529 0.25576251726587 0.38981926270748 28.085 > 93 95 Si 0.43887005932471 0.75576251726587 0.11018073729252 28.085 > 95 96 Si 0.93887005932471 0.75576251726587 0.11018073729252 28.085 > 95 97 Si 0.35750813683467 0.58670181623692 0.24101121712440 28.085 > 97 98 Si 0.85750813683467 0.58670181623692 0.24101121712440 28.085 > 97 99 Si 0.14249186316533 0.08670181623692 0.25898878287560 28.085 > 99 100 Si 0.64249186316533 0.08670181623692 0.25898878287560 28.085 > 99 101 Si 0.14249186316533 0.41329818376308 0.75898878287560 28.085 > 101 102 Si 0.64249186316533 0.41329818376308 0.75898878287560 28.085 > 101 103 Si 0.35750813683467 0.91329818376308 0.74101121712440 28.085 > 103 104 Si 0.85750813683467 0.91329818376308 0.74101121712440 28.085 > 103 105 Si 0.35670922667138 0.96399253012964 0.20858382257826 28.085 > 105 106 Si 0.85670922667138 0.96399253012964 0.20858382257826 28.085 > 105 107 Si 0.14329077332862 0.46399253012964 0.29141617742174 28.085 > 107 108 Si 0.64329077332862 0.46399253012964 0.29141617742174 28.085 > 107 109 Si 0.43887005932471 0.74423748273413 0.61018073729252 28.085 > 109 110 Si 0.93887005932471 0.74423748273413 0.61018073729252 28.085 > 109 111 Si 0.14329077332862 0.03600746987036 0.79141617742174 28.085 > 111 112 Si 0.64329077332862 0.03600746987036 0.79141617742174 28.085 > 111 113 Y 0.12795099166397 0.53145771842335 0.01855015052088 88.906 > 113 114 Y 0.62795099166397 0.53145771842335 0.01855015052088 88.906 > 113 115 Y 0.37204900833603 0.03145771842335 0.48144984947912 88.906 > 115 116 Y 0.87204900833603 0.03145771842335 0.48144984947912 88.906 > 115 117 Y 0.37204900833603 0.46854228157665 0.98144984947912 88.906 > 117 118 Y 0.87204900833603 0.46854228157665 0.98144984947912 88.906 > 117 119 Y 0.12795099166397 0.96854228157665 0.51855015052088 88.906 > 119 120 Y 0.62795099166397 0.96854228157665 0.51855015052088 88.906 > 119 121 Y 0.20209398384924 0.77230031449974 0.31128628044051 88.906 > 121 122 Y 0.70209398384924 0.77230031449974 0.31128628044051 88.906 > 121 123 Y 0.29790601615076 0.27230031449974 0.18871371955949 88.906 > 123 124 Y 0.79790601615076 0.27230031449974 0.18871371955949 88.906 > 123 125 Y 0.29790601615076 0.22769968550026 0.68871371955949 88.906 > 125 126 Y 0.79790601615076 0.22769968550026 0.68871371955949 88.906 > 125 127 Y 0.20209398384924 0.72769968550026 0.81128628044051 88.906 > 127 128 Y 0.70209398384924 0.72769968550026 0.81128628044051 88.906 > 127 129 Y 0.09728545511877 0.90191681503522 0.99574317603713 88.906 > 129 130 Y 0.59728545511877 0.90191681503522 0.99574317603713 88.906 > 129 131 Y 0.40271454488123 0.40191681503522 0.50425682396287 88.906 > 131 132 Y 0.90271454488123 0.40191681503522 0.50425682396287 88.906 > 131 133 Y 0.40271454488123 0.09808318496478 0.00425682396287 88.906 > 133 134 Y 0.90271454488123 0.09808318496478 0.00425682396287 88.906 > 133 135 Y 0.09728545511877 0.59808318496478 0.49574317603713 88.906 > 135 136 Y 0.59728545511877 0.59808318496478 0.49574317603713 88.906 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3138429 0.0000000 -0.0010550 0.0000000 3.2317079 0.0000000 -0.0010545 0.0000000 3.3693634 -------------------------- Born effective charges -------------------------- 1 O -1.8543186 0.1235640 0.5330014 0.1581808 -2.4186603 0.1332617 0.4843486 0.1609919 -1.7727659 2 O -1.8543186 -0.1235640 0.5330014 -0.1581808 -2.4186603 -0.1332617 0.4843486 -0.1609919 -1.7727659 3 O -1.8543186 0.1235640 0.5330014 0.1581808 -2.4186603 0.1332617 0.4843486 0.1609919 -1.7727659 4 O -1.8543186 -0.1235640 0.5330014 -0.1581808 -2.4186603 -0.1332617 0.4843486 -0.1609919 -1.7727659 5 O -2.2050644 -0.0791637 -0.3076057 -0.0812525 -1.2116198 0.1581954 -0.3575685 0.2094380 -2.7005273 6 O -2.2050644 0.0791637 -0.3076057 0.0812525 -1.2116198 -0.1581954 -0.3575685 -0.2094380 -2.7005273 7 O -2.2050644 -0.0791637 -0.3076057 -0.0812525 -1.2116198 0.1581954 -0.3575685 0.2094380 -2.7005273 8 O -2.2050644 0.0791637 -0.3076057 0.0812525 -1.2116198 -0.1581954 -0.3575685 -0.2094380 -2.7005273 9 O -2.3879447 -0.5793099 -0.1975179 -0.5676005 -1.7059221 0.1297136 -0.2212287 0.0446039 -2.0234715 10 O -2.3879447 0.5793099 -0.1975179 0.5676005 -1.7059221 -0.1297136 -0.2212287 -0.0446039 -2.0234715 11 O -2.3879447 -0.5793099 -0.1975179 -0.5676005 -1.7059221 0.1297136 -0.2212287 0.0446039 -2.0234715 12 O -2.3879447 0.5793099 -0.1975179 0.5676005 -1.7059221 -0.1297136 -0.2212287 -0.0446039 -2.0234715 13 O -1.8392769 -0.5139466 0.4688698 -0.6146680 -2.4480831 0.2500166 0.3983896 0.2089143 -1.4186073 14 O -1.8392769 0.5139466 0.4688698 0.6146680 -2.4480831 -0.2500166 0.3983896 -0.2089143 -1.4186073 15 O -1.8392769 -0.5139466 0.4688698 -0.6146680 -2.4480831 0.2500166 0.3983896 0.2089143 -1.4186073 16 O -1.8392769 0.5139466 0.4688698 0.6146680 -2.4480831 -0.2500166 0.3983896 -0.2089143 -1.4186073 17 O -2.1446553 0.3949232 -0.1187244 0.4340675 -1.8791532 -0.4526200 -0.0612512 -0.4554744 -1.8550462 18 O -2.5218262 0.3676583 -0.2436661 0.3482572 -1.5395684 -0.1776809 -0.2510735 -0.1582803 -1.9579410 19 O -2.5218262 0.3676583 -0.2436661 0.3482572 -1.5395684 -0.1776809 -0.2510735 -0.1582803 -1.9579410 20 O -2.5218262 -0.3676583 -0.2436661 -0.3482572 -1.5395684 0.1776809 -0.2510735 0.1582803 -1.9579410 21 O -1.5211443 0.0146865 -0.5346321 0.0304612 -2.1309754 0.1557608 -0.5983952 0.2531700 -2.3931249 22 O -1.5211443 -0.0146865 -0.5346321 -0.0304612 -2.1309754 -0.1557608 -0.5983952 -0.2531700 -2.3931249 23 O -1.5211443 0.0146865 -0.5346321 0.0304612 -2.1309754 0.1557608 -0.5983952 0.2531700 -2.3931249 24 O -1.5211443 -0.0146865 -0.5346321 -0.0304612 -2.1309754 -0.1557608 -0.5983952 -0.2531700 -2.3931249 25 O -1.9125340 0.6130604 0.2462500 0.7536682 -1.8527678 -0.4899093 0.3610649 -0.4634625 -1.8137840 26 O -1.9125340 -0.6130604 0.2462500 -0.7536682 -1.8527678 0.4899093 0.3610649 0.4634625 -1.8137840 27 O -1.9125340 0.6130604 0.2462500 0.7536682 -1.8527678 -0.4899093 0.3610649 -0.4634625 -1.8137840 28 O -1.9125340 -0.6130604 0.2462500 -0.7536682 -1.8527678 0.4899093 0.3610649 0.4634625 -1.8137840 29 O -1.9134140 -0.0360009 0.2802438 0.0560410 -2.0667060 0.2313502 0.3361791 0.2321699 -2.0767280 30 O -1.9134140 0.0360009 0.2802438 -0.0560410 -2.0667060 -0.2313502 0.3361791 -0.2321699 -2.0767280 31 O -1.9134140 -0.0360009 0.2802438 0.0560410 -2.0667060 0.2313502 0.3361791 0.2321699 -2.0767280 32 O -1.9134140 0.0360009 0.2802438 -0.0560410 -2.0667060 -0.2313502 0.3361791 -0.2321699 -2.0767280 33 O -1.8964460 0.3677237 -0.2815370 0.3636536 -1.5904374 -0.3642813 -0.2612672 -0.3851309 -2.4965730 34 O -1.8964460 -0.3677237 -0.2815370 -0.3636536 -1.5904374 0.3642813 -0.2612672 0.3851309 -2.4965730 35 O -1.8964460 0.3677237 -0.2815370 0.3636536 -1.5904374 -0.3642813 -0.2612672 -0.3851309 -2.4965730 36 O -1.8964460 -0.3677237 -0.2815370 -0.3636536 -1.5904374 0.3642813 -0.2612672 0.3851309 -2.4965730 37 O -2.1446553 -0.3949232 -0.1187244 -0.4340675 -1.8791532 0.4526200 -0.0612512 0.4554744 -1.8550462 38 O -2.1446553 0.3949232 -0.1187244 0.4340675 -1.8791532 -0.4526200 -0.0612512 -0.4554744 -1.8550462 39 O -2.1446553 -0.3949232 -0.1187244 -0.4340675 -1.8791532 0.4526200 -0.0612512 0.4554744 -1.8550462 40 O -2.5218262 -0.3676583 -0.2436661 -0.3482572 -1.5395684 0.1776809 -0.2510735 0.1582803 -1.9579410 41 F -1.1593621 0.1194146 0.3320189 0.0284837 -1.8820993 0.1358858 0.3479796 0.1172767 -1.1022190 42 F -1.1593621 -0.1194146 0.3320189 -0.0284837 -1.8820993 -0.1358858 0.3479796 -0.1172767 -1.1022190 43 F -1.1593621 -0.1194146 0.3320189 -0.0284837 -1.8820993 -0.1358858 0.3479796 -0.1172767 -1.1022190 44 F -1.1593621 0.1194146 0.3320189 0.0284837 -1.8820993 0.1358858 0.3479796 0.1172767 -1.1022190 45 Si 3.3144791 -0.2689803 -0.2090096 0.0362862 3.1287317 -0.1543525 -0.0007746 -0.0967052 3.3847011 46 Si 3.5004236 0.1920518 -0.0702686 0.2954857 3.5575037 0.0283438 0.0844289 0.3356899 3.0022761 47 Si 3.5004236 -0.1920518 -0.0702686 -0.2954857 3.5575037 -0.0283438 0.0844289 -0.3356899 3.0022761 48 Si 3.5004236 0.1920518 -0.0702686 0.2954857 3.5575037 0.0283438 0.0844289 0.3356899 3.0022761 49 Si 3.2375020 0.0895129 0.2713545 0.2875451 2.8736024 -0.0116287 -0.0702965 -0.0609658 3.3600306 50 Si 3.2375020 -0.0895129 0.2713545 -0.2875451 2.8736024 0.0116287 -0.0702965 0.0609658 3.3600306 51 Si 3.2375020 0.0895129 0.2713545 0.2875451 2.8736024 -0.0116287 -0.0702965 -0.0609658 3.3600306 52 Si 3.2375020 -0.0895129 0.2713545 -0.2875451 2.8736024 0.0116287 -0.0702965 0.0609658 3.3600306 53 Si 3.3144791 0.2689803 -0.2090096 -0.0362862 3.1287317 0.1543525 -0.0007746 0.0967052 3.3847011 54 Si 3.3144791 -0.2689803 -0.2090096 0.0362862 3.1287317 -0.1543525 -0.0007746 -0.0967052 3.3847011 55 Si 3.5004236 -0.1920518 -0.0702686 -0.2954857 3.5575037 -0.0283438 0.0844289 -0.3356899 3.0022761 56 Si 3.3144791 0.2689803 -0.2090096 -0.0362862 3.1287317 0.1543525 -0.0007746 0.0967052 3.3847011 57 Y 3.8576138 0.1407499 0.0036988 0.1799359 3.5948438 0.0218841 -0.0277002 0.0633296 3.9141813 58 Y 3.8576138 -0.1407499 0.0036988 -0.1799359 3.5948438 -0.0218841 -0.0277002 -0.0633296 3.9141813 59 Y 3.8576138 0.1407499 0.0036988 0.1799359 3.5948438 0.0218841 -0.0277002 0.0633296 3.9141813 60 Y 3.8576138 -0.1407499 0.0036988 -0.1799359 3.5948438 -0.0218841 -0.0277002 -0.0633296 3.9141813 61 Y 3.4814220 0.2009202 -0.0322915 0.1187674 4.0843122 0.1492136 -0.0050237 0.2393446 3.9120999 62 Y 3.4814220 -0.2009202 -0.0322915 -0.1187674 4.0843122 -0.1492136 -0.0050237 -0.2393446 3.9120999 63 Y 3.4814220 0.2009202 -0.0322915 0.1187674 4.0843122 0.1492136 -0.0050237 0.2393446 3.9120999 64 Y 3.4814220 -0.2009202 -0.0322915 -0.1187674 4.0843122 -0.1492136 -0.0050237 -0.2393446 3.9120999 65 Y 3.9645459 -0.1814752 -0.1401844 -0.1922552 3.4869988 -0.0137130 -0.1578111 -0.0152743 4.0374992 66 Y 3.9645459 0.1814752 -0.1401844 0.1922552 3.4869988 0.0137130 -0.1578111 0.0152743 4.0374992 67 Y 3.9645459 -0.1814752 -0.1401844 -0.1922552 3.4869988 -0.0137130 -0.1578111 -0.0152743 4.0374992 68 Y 3.9645459 0.1814752 -0.1401844 0.1922552 3.4869988 0.0137130 -0.1578111 0.0152743 4.0374992 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 ... [ 8 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.434 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.646 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.444 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.736 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.110 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.692 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.731 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.819 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 9.053 ( 0.000 0.000 0.000) 0.000 9.082 ( 0.000 0.000 0.000) 0.000 9.248 ( 0.000 0.000 0.000) 0.000 9.302 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 9.924 ( 0.000 0.000 0.000) 0.000 10.015 ( 0.000 0.000 0.000) 0.000 10.047 ( 0.000 0.000 0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 10.264 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.740 ( 0.000 0.000 0.000) 0.000 10.771 ( 0.000 0.000 0.000) 0.000 10.781 ( 0.000 0.000 0.000) 0.000 10.866 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.317 ( 0.000 0.000 0.000) 0.000 11.326 ( 0.000 0.000 0.000) 0.000 11.756 ( 0.000 0.000 0.000) 0.000 11.807 ( 0.000 0.000 0.000) 0.000 12.010 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 12.169 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.189 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 12.660 ( 0.000 0.000 0.000) 0.000 12.753 ( 0.000 0.000 0.000) 0.000 12.791 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 12.971 ( 0.000 0.000 0.000) 0.000 13.033 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.110 ( 0.000 0.000 0.000) 0.000 13.199 ( 0.000 0.000 0.000) 0.000 13.294 ( 0.000 0.000 0.000) 0.000 13.482 ( 0.000 0.000 0.000) 0.000 13.616 ( 0.000 0.000 0.000) 0.000 13.702 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.008 ( 0.000 0.000 0.000) 0.000 14.097 ( 0.000 0.000 0.000) 0.000 14.173 ( 0.000 0.000 0.000) 0.000 14.201 ( 0.000 0.000 0.000) 0.000 14.558 ( 0.000 0.000 0.000) 0.000 14.595 ( 0.000 0.000 0.000) 0.000 14.622 ( 0.000 0.000 0.000) 0.000 14.832 ( 0.000 0.000 0.000) 0.000 15.042 ( 0.000 0.000 0.000) 0.000 15.207 ( 0.000 0.000 0.000) 0.000 15.381 ( 0.000 0.000 0.000) 0.000 15.414 ( 0.000 0.000 0.000) 0.000 15.424 ( 0.000 0.000 0.000) 0.000 15.554 ( 0.000 0.000 0.000) 0.000 15.595 ( 0.000 0.000 0.000) 0.000 15.775 ( 0.000 0.000 0.000) 0.000 16.042 ( 0.000 0.000 0.000) 0.000 16.153 ( 0.000 0.000 0.000) 0.000 16.214 ( 0.000 0.000 0.000) 0.000 16.247 ( 0.000 0.000 0.000) 0.000 16.469 ( 0.000 0.000 0.000) 0.000 16.560 ( 0.000 0.000 0.000) 0.000 16.587 ( 0.000 0.000 0.000) 0.000 16.674 ( 0.000 0.000 0.000) 0.000 19.043 ( 0.000 0.000 0.000) 0.000 19.263 ( 0.000 0.000 0.000) 0.000 19.471 ( 0.000 0.000 0.000) 0.000 19.736 ( 0.000 0.000 0.000) 0.000 20.802 ( 0.000 0.000 0.000) 0.000 20.976 ( 0.000 0.000 0.000) 0.000 21.134 ( 0.000 0.000 0.000) 0.000 21.191 ( 0.000 0.000 0.000) 0.000 24.924 ( 0.000 0.000 0.000) 0.000 24.936 ( 0.000 0.000 0.000) 0.000 25.194 ( 0.000 0.000 0.000) 0.000 25.286 ( 0.000 0.000 0.000) 0.000 25.924 ( 0.000 0.000 0.000) 0.000 25.976 ( 0.000 0.000 0.000) 0.000 26.013 ( 0.000 0.000 0.000) 0.000 26.038 ( 0.000 0.000 0.000) 0.000 26.333 ( 0.000 0.000 0.000) 0.000 26.491 ( 0.000 0.000 0.000) 0.000 26.863 ( 0.000 0.000 0.000) 0.000 27.030 ( 0.000 0.000 0.000) 0.000 27.048 ( 0.000 0.000 0.000) 0.000 27.126 ( 0.000 0.000 0.000) 0.000 27.240 ( 0.000 0.000 0.000) 0.000 27.423 ( 0.000 0.000 0.000) 0.000 27.433 ( 0.000 0.000 0.000) 0.000 27.558 ( 0.000 0.000 0.000) 0.000 27.658 ( 0.000 0.000 0.000) 0.000 27.862 ( 0.000 0.000 0.000) 0.000 28.026 ( 0.000 0.000 0.000) 0.000 28.104 ( 0.000 0.000 0.000) 0.000 28.124 ( 0.000 0.000 0.000) 0.000 28.156 ( 0.000 0.000 0.000) 0.000 28.412 ( 0.000 0.000 0.000) 0.000 28.461 ( 0.000 0.000 0.000) 0.000 28.526 ( 0.000 0.000 0.000) 0.000 28.731 ( 0.000 0.000 0.000) 0.000 28.982 ( 0.000 0.000 0.000) 0.000 29.281 ( 0.000 0.000 0.000) 0.000 29.368 ( 0.000 0.000 0.000) 0.000 29.395 ( 0.000 0.000 0.000) 0.000 29.539 ( 0.000 0.000 0.000) 0.000 29.724 ( 0.000 0.000 0.000) 0.000 29.885 ( 0.000 0.000 0.000) 0.000 30.138 ( 0.000 0.000 0.000) 0.000 30.307 ( 0.000 0.000 0.000) 0.000 30.560 ( 0.000 0.000 0.000) 0.000 30.635 ( 0.000 0.000 0.000) 0.000 30.902 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 29.191 0.000 8.401) 30.376 0.710 ( 42.728 0.000 -3.311) 42.856 1.483 ( 54.525 0.000 48.976) 73.291 2.393 ( 13.330 0.000 17.807) 22.243 2.688 ( 8.869 0.000 3.700) 9.610 2.816 ( -1.683 0.000 4.436) 4.745 2.855 ( 3.738 0.000 -5.163) 6.374 2.967 ( -1.706 0.000 -1.742) 2.438 3.054 ( 4.272 0.000 2.397) 4.898 3.106 ( -1.545 0.000 0.090) 1.548 3.151 ( 1.225 0.000 -3.570) 3.774 3.273 ( 7.475 0.000 2.978) 8.047 3.393 ( 0.228 0.000 -3.168) 3.176 3.470 ( -2.599 0.000 -2.556) 3.645 3.473 ( -7.542 0.000 1.765) 7.745 3.545 ( 2.224 0.000 5.005) 5.477 3.779 ( -0.098 0.000 -1.644) 1.647 3.786 ( 3.497 0.000 -8.035) 8.763 3.801 ( -5.509 0.000 -5.779) 7.984 3.804 ( -0.040 0.000 4.796) 4.796 3.948 ( -10.868 0.000 27.588) 29.651 4.001 ( 4.208 0.000 -5.766) 7.138 4.092 ( -7.758 0.000 -4.204) 8.824 4.185 ( 2.890 0.000 1.122) 3.100 4.278 ( -8.283 0.000 2.782) 8.738 4.365 ( 1.847 0.000 -3.244) 3.733 4.415 ( -1.773 0.000 -2.394) 2.979 4.525 ( -8.082 0.000 -0.092) 8.082 4.527 ( 7.807 0.000 0.105) 7.808 4.615 ( -6.223 0.000 -2.144) 6.582 4.624 ( 6.300 0.000 6.080) 8.756 4.852 ( -6.543 0.000 2.857) 7.139 4.921 ( -3.061 0.000 -3.096) 4.354 4.930 ( -3.932 0.000 -3.387) 5.189 5.017 ( 3.477 0.000 1.095) 3.645 5.141 ( -0.420 0.000 2.558) 2.592 5.167 ( -1.657 0.000 -4.198) 4.513 5.251 ( 3.925 0.000 -0.721) 3.990 5.326 ( 4.257 0.000 -3.939) 5.800 5.348 ( 1.636 0.000 -4.875) 5.142 5.405 ( 1.425 0.000 -7.550) 7.683 5.513 ( 3.476 0.000 -0.662) 3.538 5.531 ( -3.964 0.000 2.727) 4.812 5.601 ( -3.962 0.000 -0.053) 3.963 5.670 ( 1.441 0.000 -9.089) 9.202 5.684 ( 5.385 0.000 3.399) 6.368 5.797 ( 1.273 0.000 -2.515) 2.819 5.834 ( -1.480 0.000 -2.761) 3.133 5.894 ( -4.953 0.000 -5.528) 7.423 5.934 ( -2.488 0.000 1.662) 2.992 6.010 ( -6.093 0.000 1.859) 6.370 6.023 ( 5.173 0.000 -5.396) 7.475 6.212 ( -6.058 0.000 -5.179) 7.970 6.212 ( -1.639 0.000 5.633) 5.866 6.304 ( -1.990 0.000 0.667) 2.099 6.373 ( -0.529 0.000 -2.420) 2.477 6.431 ( 0.401 0.000 0.990) 1.068 6.481 ( -10.259 0.000 7.032) 12.438 6.524 ( -0.489 0.000 -1.834) 1.898 6.587 ( -6.443 0.000 3.711) 7.435 6.621 ( -1.634 0.000 3.030) 3.443 6.801 ( 8.241 0.000 2.743) 8.685 6.839 ( -5.231 0.000 -2.370) 5.743 6.977 ( -6.233 0.000 -8.130) 10.244 7.139 ( 1.652 0.000 -2.759) 3.216 7.189 ( -1.543 0.000 3.368) 3.705 7.364 ( -4.657 0.000 -0.484) 4.682 7.473 ( 4.684 0.000 2.515) 5.317 7.593 ( 12.060 0.000 -13.252) 17.918 7.596 ( -8.913 0.000 -2.576) 9.278 7.635 ( 3.288 0.000 2.602) 4.193 7.715 ( 2.355 0.000 3.012) 3.824 7.742 ( 0.501 0.000 0.149) 0.522 7.946 ( -5.785 0.000 1.497) 5.976 8.087 ( 1.808 0.000 -8.240) 8.436 8.163 ( 1.068 0.000 0.050) 1.069 8.401 ( -13.346 0.000 24.145) 27.588 8.448 ( 0.756 0.000 -1.629) 1.796 8.463 ( -1.991 0.000 -0.736) 2.123 8.601 ( -8.653 0.000 -0.928) 8.702 8.678 ( -2.723 0.000 -2.021) 3.392 8.763 ( 3.251 0.000 -2.203) 3.927 8.834 ( 3.687 0.000 -0.288) 3.698 8.864 ( -0.313 0.000 2.187) 2.209 8.979 ( -1.393 0.000 1.549) 2.083 9.025 ( -0.930 0.000 6.533) 6.599 9.132 ( 0.338 0.000 2.813) 2.833 9.164 ( -5.619 0.000 5.492) 7.857 9.275 ( 2.525 0.000 1.316) 2.847 9.287 ( 0.366 0.000 -3.797) 3.815 9.497 ( 6.826 0.000 -2.915) 7.422 9.578 ( -2.537 0.000 2.230) 3.378 9.820 ( 11.840 0.000 -1.333) 11.914 9.840 ( 6.289 0.000 -18.557) 19.594 9.874 ( -2.061 0.000 -1.172) 2.371 10.047 ( 0.021 0.000 -0.135) 0.137 10.082 ( 2.003 0.000 -6.489) 6.791 10.275 ( 5.331 0.000 -3.950) 6.635 10.301 ( 0.919 0.000 1.179) 1.495 10.385 ( -0.109 0.000 -6.718) 6.719 10.742 ( 1.305 0.000 -2.350) 2.689 10.776 ( -0.237 0.000 4.124) 4.131 10.798 ( -15.206 0.000 14.454) 20.980 10.806 ( 0.208 0.000 4.150) 4.155 10.926 ( 3.075 0.000 4.459) 5.417 11.193 ( -11.564 0.000 3.668) 12.132 11.231 ( -0.515 0.000 -5.903) 5.925 11.293 ( -4.592 0.000 -6.783) 8.191 11.846 ( -1.862 0.000 9.241) 9.426 11.852 ( 3.512 0.000 2.556) 4.344 12.020 ( -3.030 0.000 2.608) 3.998 12.108 ( -2.141 0.000 1.962) 2.904 12.153 ( -0.301 0.000 2.363) 2.382 12.187 ( -1.846 0.000 2.469) 3.083 12.231 ( 4.268 0.000 4.258) 6.028 12.255 ( -0.101 0.000 -1.510) 1.514 12.452 ( 3.361 0.000 0.630) 3.419 12.480 ( -2.384 0.000 4.443) 5.042 12.702 ( -1.349 0.000 1.213) 1.814 12.717 ( -1.599 0.000 -2.020) 2.576 12.765 ( -3.392 0.000 -0.304) 3.406 12.988 ( -0.183 0.000 -0.398) 0.438 12.992 ( 0.437 0.000 -0.244) 0.501 13.062 ( 3.333 0.000 -1.244) 3.557 13.102 ( -1.007 0.000 2.357) 2.563 13.130 ( 4.043 0.000 0.180) 4.048 13.220 ( 2.980 0.000 -0.861) 3.101 13.496 ( 1.773 0.000 -1.525) 2.339 13.517 ( -2.446 0.000 13.992) 14.204 13.639 ( -8.852 0.000 1.219) 8.935 13.678 ( 3.540 0.000 2.626) 4.407 13.743 ( -7.357 0.000 3.524) 8.158 14.023 ( 0.424 0.000 3.130) 3.159 14.169 ( 6.070 0.000 -1.555) 6.266 14.187 ( 1.488 0.000 -1.056) 1.824 14.373 ( -4.760 0.000 3.356) 5.824 14.520 ( -5.553 0.000 -4.064) 6.881 14.581 ( 1.819 0.000 -0.768) 1.975 14.793 ( 7.189 0.000 -26.334) 27.298 14.823 ( -3.318 0.000 3.505) 4.827 15.032 ( 0.848 0.000 -2.975) 3.093 15.197 ( -1.130 0.000 -1.402) 1.801 15.359 ( -1.006 0.000 -1.519) 1.822 15.388 ( 0.345 0.000 -5.984) 5.994 15.428 ( -0.804 0.000 2.692) 2.809 15.553 ( -2.634 0.000 -1.956) 3.281 15.693 ( 16.530 0.000 -29.583) 33.888 15.776 ( -2.543 0.000 3.540) 4.359 16.012 ( 0.092 0.000 -5.263) 5.264 16.101 ( -3.053 0.000 1.318) 3.326 16.217 ( -7.400 0.000 6.636) 9.940 16.311 ( 4.359 0.000 1.735) 4.691 16.490 ( 1.438 0.000 3.730) 3.998 16.649 ( 5.466 0.000 0.908) 5.541 16.798 ( 11.257 0.000 -1.718) 11.387 16.800 ( 10.993 0.000 -3.875) 11.655 19.233 ( 6.215 0.000 -16.162) 17.316 19.241 ( -1.467 0.000 -1.016) 1.784 19.479 ( 0.411 0.000 0.503) 0.649 19.722 ( -0.787 0.000 -1.576) 1.762 20.830 ( 2.349 0.000 1.111) 2.599 20.997 ( 3.102 0.000 -1.706) 3.540 21.174 ( -2.191 0.000 0.368) 2.221 21.298 ( -7.462 0.000 9.031) 11.715 24.936 ( 0.465 0.000 -0.396) 0.610 24.954 ( -2.323 0.000 6.765) 7.153 25.259 ( 3.541 0.000 5.929) 6.906 25.302 ( 1.359 0.000 0.777) 1.565 25.872 ( -0.686 0.000 -4.780) 4.829 25.977 ( 0.333 0.000 -5.906) 5.915 26.030 ( 1.180 0.000 3.944) 4.117 26.059 ( -1.055 0.000 3.787) 3.932 26.543 ( 2.738 0.000 4.804) 5.530 26.858 ( -1.297 0.000 2.014) 2.396 26.919 ( 2.702 0.000 -5.664) 6.276 27.056 ( 4.163 0.000 -2.660) 4.940 27.064 ( 5.024 0.000 -4.859) 6.989 27.137 ( -6.022 0.000 8.648) 10.539 27.237 ( 1.186 0.000 -1.986) 2.314 27.398 ( -1.635 0.000 -0.783) 1.812 27.455 ( 2.084 0.000 -0.046) 2.085 27.504 ( -1.890 0.000 -3.678) 4.136 27.711 ( 1.005 0.000 4.927) 5.029 27.988 ( -1.960 0.000 -1.727) 2.613 28.042 ( -2.668 0.000 -5.107) 5.762 28.114 ( 1.489 0.000 -1.474) 2.095 28.202 ( 1.414 0.000 2.772) 3.112 28.249 ( -7.256 0.000 20.984) 22.203 28.456 ( -2.134 0.000 3.182) 3.831 28.482 ( -3.863 0.000 -0.446) 3.889 28.694 ( -1.554 0.000 -1.657) 2.272 28.823 ( 2.384 0.000 1.271) 2.702 28.923 ( -4.635 0.000 -2.378) 5.210 29.173 ( -12.087 0.000 -1.227) 12.149 29.372 ( -5.597 0.000 0.614) 5.630 29.434 ( 4.883 0.000 3.507) 6.012 29.700 ( 0.587 0.000 -3.540) 3.589 29.882 ( -1.588 0.000 2.060) 2.601 30.076 ( -5.849 0.000 4.626) 7.457 30.368 ( 5.902 0.000 -1.781) 6.165 30.591 ( -1.732 0.000 -5.352) 5.625 30.705 ( 12.487 0.000 3.125) 12.872 30.846 ( -5.307 0.000 0.376) 5.320 31.557 ( 5.796 0.000 -9.544) 11.166 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 26.477 0.000 6.121) 27.176 1.372 ( 37.461 0.000 -3.143) 37.593 2.693 ( -1.621 0.000 -1.537) 2.234 2.699 ( 13.777 0.000 15.617) 20.826 2.766 ( 9.797 0.000 -8.748) 13.135 2.790 ( 6.006 0.000 10.953) 12.491 2.794 ( -12.526 0.000 -9.267) 15.581 2.980 ( 11.723 0.000 7.813) 14.088 3.004 ( -8.617 0.000 -21.347) 23.021 3.065 ( 2.929 0.000 4.528) 5.393 3.111 ( 5.134 0.000 0.823) 5.200 3.344 ( -7.614 0.000 -1.984) 7.868 3.427 ( 1.068 0.000 4.401) 4.529 3.427 ( 1.128 0.000 4.381) 4.524 3.505 ( 1.673 0.000 2.996) 3.431 3.516 ( 2.711 0.000 3.191) 4.188 3.648 ( -2.966 0.000 -9.734) 10.176 3.745 ( -13.471 0.000 -0.718) 13.490 3.751 ( -0.115 0.000 -3.242) 3.244 3.834 ( 9.777 0.000 -0.751) 9.806 3.915 ( -7.621 0.000 4.275) 8.738 3.997 ( 3.650 0.000 -3.277) 4.905 4.070 ( -6.760 0.000 6.727) 9.537 4.220 ( -1.577 0.000 2.197) 2.705 4.223 ( -0.009 0.000 13.870) 13.870 4.315 ( -3.802 0.000 -3.544) 5.198 4.441 ( -1.169 0.000 -4.018) 4.184 4.462 ( 7.066 0.000 5.014) 8.664 4.524 ( -1.038 0.000 5.970) 6.060 4.613 ( 4.336 0.000 0.454) 4.359 4.754 ( -8.065 0.000 -4.250) 9.116 4.801 ( -0.751 0.000 2.841) 2.939 4.814 ( -1.720 0.000 1.251) 2.127 4.857 ( 0.744 0.000 0.913) 1.178 5.074 ( 0.779 0.000 -5.524) 5.579 5.123 ( -3.296 0.000 -0.579) 3.347 5.136 ( -0.057 0.000 4.208) 4.208 5.199 ( -3.361 0.000 -5.462) 6.413 5.339 ( -0.439 0.000 -2.083) 2.128 5.391 ( 6.181 0.000 -6.460) 8.941 5.439 ( 7.843 0.000 -5.256) 9.441 5.463 ( -7.133 0.000 -0.224) 7.137 5.532 ( 2.305 0.000 6.027) 6.453 5.535 ( 4.122 0.000 -7.983) 8.984 5.653 ( 2.229 0.000 0.730) 2.345 5.716 ( -7.431 0.000 -6.519) 9.885 5.719 ( -3.805 0.000 -4.759) 6.093 5.806 ( 2.056 0.000 4.178) 4.657 5.911 ( 5.800 0.000 1.635) 6.026 5.917 ( -0.603 0.000 -3.395) 3.449 5.924 ( -1.120 0.000 6.076) 6.178 6.032 ( -5.434 0.000 -6.244) 8.278 6.063 ( 1.771 0.000 -1.147) 2.110 6.236 ( 0.660 0.000 -1.717) 1.839 6.273 ( -2.708 0.000 1.726) 3.212 6.351 ( -8.397 0.000 11.445) 14.195 6.392 ( -6.849 0.000 -1.521) 7.016 6.470 ( -0.599 0.000 10.925) 10.942 6.485 ( -1.019 0.000 0.066) 1.021 6.522 ( -2.868 0.000 7.101) 7.658 6.642 ( 1.858 0.000 -0.310) 1.883 6.720 ( -2.705 0.000 -6.313) 6.868 6.858 ( -2.138 0.000 0.956) 2.342 6.945 ( 6.031 0.000 1.078) 6.127 7.116 ( -0.235 0.000 -4.525) 4.531 7.223 ( -1.528 0.000 3.967) 4.251 7.301 ( -1.839 0.000 -1.180) 2.185 7.412 ( -7.746 0.000 0.601) 7.769 7.521 ( 1.165 0.000 -2.323) 2.599 7.618 ( 2.705 0.000 -7.902) 8.352 7.740 ( -1.117 0.000 -1.018) 1.511 7.742 ( 4.446 0.000 4.847) 6.577 7.813 ( 5.324 0.000 1.001) 5.417 7.868 ( -7.137 0.000 5.694) 9.130 8.021 ( 3.874 0.000 -12.964) 13.531 8.131 ( -5.630 0.000 1.931) 5.952 8.387 ( -8.385 0.000 7.058) 10.960 8.415 ( -2.994 0.000 1.126) 3.199 8.434 ( -4.201 0.000 0.261) 4.210 8.469 ( 0.206 0.000 -4.049) 4.054 8.569 ( -5.694 0.000 -1.090) 5.797 8.786 ( 0.291 0.000 -0.982) 1.024 8.876 ( 0.228 0.000 -0.579) 0.622 8.910 ( 3.391 0.000 -0.188) 3.396 8.983 ( -2.482 0.000 3.928) 4.647 9.056 ( 0.198 0.000 2.810) 2.817 9.150 ( 2.248 0.000 1.310) 2.601 9.198 ( 1.832 0.000 5.470) 5.769 9.224 ( -1.504 0.000 -8.105) 8.243 9.335 ( 0.667 0.000 3.346) 3.412 9.528 ( 0.812 0.000 -4.073) 4.154 9.598 ( 1.187 0.000 3.182) 3.396 9.746 ( -1.651 0.000 -7.115) 7.304 9.862 ( 2.233 0.000 -0.965) 2.433 9.969 ( 4.738 0.000 -3.005) 5.611 10.052 ( 2.294 0.000 -1.649) 2.825 10.068 ( -0.447 0.000 -1.382) 1.452 10.266 ( 0.016 0.000 -11.538) 11.538 10.280 ( -1.599 0.000 -2.686) 3.126 10.336 ( 0.640 0.000 2.795) 2.867 10.691 ( -7.802 0.000 5.065) 9.302 10.755 ( 2.385 0.000 -0.521) 2.441 10.843 ( -0.148 0.000 5.923) 5.925 10.863 ( 3.305 0.000 3.491) 4.807 10.991 ( -10.592 0.000 -3.028) 11.016 11.033 ( 3.075 0.000 5.493) 6.295 11.089 ( -6.430 0.000 -7.697) 10.029 11.185 ( -1.305 0.000 -6.801) 6.925 11.882 ( 1.422 0.000 -1.649) 2.177 11.963 ( 5.175 0.000 4.026) 6.557 11.973 ( -2.583 0.000 0.177) 2.589 12.052 ( -4.469 0.000 1.487) 4.710 12.219 ( 2.334 0.000 3.753) 4.420 12.222 ( 2.477 0.000 2.153) 3.283 12.279 ( 3.434 0.000 3.455) 4.872 12.384 ( 3.958 0.000 9.407) 10.206 12.455 ( -2.894 0.000 -1.277) 3.164 12.488 ( -3.050 0.000 6.141) 6.857 12.670 ( -5.811 0.000 0.174) 5.814 12.698 ( 1.698 0.000 -4.044) 4.386 12.701 ( 0.830 0.000 -0.386) 0.915 12.968 ( -0.446 0.000 -2.822) 2.857 12.972 ( -1.278 0.000 0.688) 1.452 13.108 ( -1.522 0.000 2.949) 3.318 13.114 ( 3.955 0.000 -0.810) 4.037 13.248 ( 9.355 0.000 -2.688) 9.733 13.279 ( 3.921 0.000 0.571) 3.963 13.396 ( -10.588 0.000 -3.582) 11.178 13.549 ( -1.257 0.000 -0.225) 1.277 13.626 ( 3.290 0.000 4.810) 5.827 13.701 ( -1.279 0.000 2.863) 3.135 13.782 ( 4.829 0.000 2.493) 5.435 14.054 ( -2.980 0.000 3.755) 4.794 14.118 ( -7.101 0.000 -7.880) 10.607 14.202 ( -4.107 0.000 3.077) 5.132 14.328 ( -3.988 0.000 4.129) 5.741 14.405 ( -0.973 0.000 -1.243) 1.578 14.563 ( -1.489 0.000 -0.315) 1.522 14.734 ( 6.738 0.000 -8.693) 10.999 14.783 ( -3.709 0.000 0.334) 3.724 15.029 ( 1.948 0.000 -0.950) 2.167 15.123 ( -1.757 0.000 -6.997) 7.214 15.339 ( 0.108 0.000 -0.607) 0.617 15.362 ( 1.467 0.000 -2.001) 2.481 15.425 ( -2.619 0.000 2.401) 3.553 15.492 ( -2.581 0.000 -0.553) 2.640 15.665 ( 4.821 0.000 -12.254) 13.169 15.756 ( -3.281 0.000 2.786) 4.304 15.964 ( 1.260 0.000 -5.854) 5.988 16.131 ( 2.326 0.000 5.467) 5.941 16.172 ( -4.000 0.000 3.538) 5.340 16.391 ( 2.028 0.000 2.338) 3.095 16.583 ( 5.096 0.000 2.397) 5.631 16.761 ( 5.215 0.000 2.362) 5.725 16.933 ( 6.643 0.000 -3.681) 7.595 16.956 ( 9.483 0.000 -1.637) 9.623 19.178 ( 1.036 0.000 -6.256) 6.341 19.220 ( 0.077 0.000 0.110) 0.134 19.485 ( -0.723 0.000 1.059) 1.282 19.679 ( -1.690 0.000 -2.635) 3.131 20.891 ( 2.698 0.000 1.796) 3.241 21.032 ( 3.464 0.000 -3.358) 4.824 21.126 ( -3.706 0.000 0.430) 3.731 21.251 ( -4.154 0.000 1.779) 4.519 24.947 ( 0.830 0.000 0.262) 0.871 24.987 ( -0.014 0.000 3.367) 3.367 25.340 ( 1.663 0.000 1.195) 2.047 25.407 ( 4.392 0.000 8.623) 9.677 25.824 ( -0.048 0.000 -3.511) 3.511 25.921 ( -0.289 0.000 -5.117) 5.125 26.071 ( -1.112 0.000 2.519) 2.754 26.073 ( 0.228 0.000 2.444) 2.454 26.627 ( 0.548 0.000 2.500) 2.560 26.907 ( -2.207 0.000 2.813) 3.575 26.912 ( 4.406 0.000 6.992) 8.265 27.056 ( -2.627 0.000 -1.031) 2.822 27.127 ( 7.747 0.000 -4.957) 9.197 27.154 ( 3.651 0.000 -0.607) 3.701 27.267 ( 3.421 0.000 0.759) 3.504 27.373 ( -1.154 0.000 0.803) 1.406 27.440 ( -0.765 0.000 -3.023) 3.119 27.484 ( 0.533 0.000 -0.697) 0.877 27.788 ( 2.542 0.000 5.835) 6.365 27.925 ( -2.101 0.000 -8.827) 9.073 27.934 ( -2.081 0.000 -2.432) 3.200 28.146 ( 2.136 0.000 0.772) 2.271 28.217 ( -0.839 0.000 -1.786) 1.973 28.314 ( -1.803 0.000 6.259) 6.514 28.421 ( -2.688 0.000 1.241) 2.961 28.461 ( -2.178 0.000 4.867) 5.332 28.658 ( -2.437 0.000 1.456) 2.839 28.798 ( -5.692 0.000 -4.611) 7.325 28.840 ( -1.504 0.000 -0.932) 1.769 28.881 ( -17.270 0.000 -4.105) 17.752 29.268 ( -6.137 0.000 0.919) 6.206 29.556 ( 5.373 0.000 0.823) 5.436 29.716 ( 2.156 0.000 3.783) 4.354 29.874 ( -1.727 0.000 2.268) 2.851 30.044 ( -2.232 0.000 2.641) 3.458 30.374 ( -0.062 0.000 -8.700) 8.700 30.468 ( -5.198 0.000 -7.608) 9.214 30.827 ( 1.888 0.000 4.730) 5.093 30.974 ( 13.134 0.000 4.588) 13.912 31.556 ( 1.992 0.000 -4.177) 4.628 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 20.759 0.000 1.267) 20.798 1.872 ( 23.252 0.000 -4.263) 23.639 2.276 ( -18.502 0.000 -23.930) 30.249 2.421 ( -21.573 0.000 -8.577) 23.216 2.487 ( -15.346 0.000 -6.580) 16.697 2.612 ( -5.121 0.000 -20.953) 21.570 2.684 ( 0.906 0.000 -4.297) 4.391 2.946 ( 6.003 0.000 -6.356) 8.743 3.062 ( -7.146 0.000 0.647) 7.175 3.174 ( 4.048 0.000 -2.265) 4.639 3.275 ( -6.261 0.000 0.322) 6.269 3.391 ( -11.672 0.000 -4.061) 12.358 3.398 ( 0.254 0.000 8.822) 8.826 3.540 ( -3.979 0.000 4.727) 6.179 3.565 ( 2.604 0.000 0.007) 2.604 3.574 ( -2.443 0.000 -2.747) 3.676 3.592 ( 11.834 0.000 1.680) 11.953 3.760 ( 4.830 0.000 2.842) 5.605 3.770 ( 1.199 0.000 7.282) 7.380 3.847 ( 5.089 0.000 5.678) 7.625 3.919 ( 7.851 0.000 -6.851) 10.420 4.058 ( 6.708 0.000 8.508) 10.834 4.187 ( -6.703 0.000 -2.254) 7.072 4.208 ( 5.278 0.000 10.555) 11.801 4.247 ( 5.715 0.000 -0.066) 5.715 4.372 ( 1.180 0.000 10.112) 10.181 4.438 ( 6.466 0.000 -0.562) 6.490 4.612 ( -3.488 0.000 1.679) 3.871 4.660 ( 6.667 0.000 4.754) 8.189 4.662 ( 4.662 0.000 5.816) 7.454 4.680 ( 2.073 0.000 -2.238) 3.050 4.743 ( -0.134 0.000 2.358) 2.362 4.840 ( -4.764 0.000 -0.977) 4.863 4.844 ( 2.506 0.000 0.630) 2.584 4.982 ( -3.211 0.000 -5.927) 6.741 4.990 ( -9.862 0.000 -1.480) 9.973 5.075 ( -0.039 0.000 -5.835) 5.836 5.201 ( -2.618 0.000 4.819) 5.485 5.268 ( -10.606 0.000 -3.118) 11.054 5.342 ( 3.168 0.000 -1.053) 3.339 5.439 ( -5.804 0.000 -8.257) 10.093 5.441 ( 0.024 0.000 -3.468) 3.468 5.487 ( -1.987 0.000 -2.447) 3.152 5.572 ( -4.148 0.000 0.398) 4.167 5.633 ( 0.468 0.000 6.846) 6.862 5.653 ( -0.323 0.000 -4.671) 4.682 5.678 ( 4.676 0.000 -1.600) 4.942 5.853 ( 3.334 0.000 0.627) 3.392 5.940 ( 2.359 0.000 8.099) 8.435 5.943 ( -2.956 0.000 -2.747) 4.035 5.995 ( 2.864 0.000 5.350) 6.069 6.039 ( -2.012 0.000 -0.867) 2.191 6.091 ( 6.276 0.000 5.294) 8.211 6.187 ( -5.043 0.000 -4.007) 6.441 6.205 ( 1.660 0.000 -5.571) 5.813 6.370 ( 3.685 0.000 -0.283) 3.696 6.371 ( -4.122 0.000 8.267) 9.237 6.462 ( -1.822 0.000 5.108) 5.423 6.568 ( -0.535 0.000 5.316) 5.343 6.607 ( 7.279 0.000 2.812) 7.804 6.693 ( 2.240 0.000 0.748) 2.362 6.737 ( 4.532 0.000 9.703) 10.710 6.832 ( -3.285 0.000 1.937) 3.813 7.025 ( 1.753 0.000 0.535) 1.833 7.042 ( -3.099 0.000 -4.338) 5.331 7.204 ( -2.236 0.000 2.593) 3.424 7.287 ( 2.823 0.000 -2.096) 3.516 7.380 ( -0.523 0.000 3.378) 3.418 7.494 ( -0.257 0.000 -3.411) 3.421 7.525 ( -3.074 0.000 -8.235) 8.790 7.641 ( -5.311 0.000 -7.169) 8.923 7.805 ( -4.158 0.000 0.854) 4.244 7.876 ( 3.605 0.000 6.367) 7.316 7.917 ( 6.060 0.000 -0.089) 6.060 7.987 ( 2.273 0.000 -4.908) 5.409 8.059 ( -6.837 0.000 6.870) 9.692 8.296 ( -5.325 0.000 -2.366) 5.827 8.312 ( -7.360 0.000 1.206) 7.458 8.390 ( 0.836 0.000 -0.782) 1.145 8.466 ( 1.320 0.000 -1.947) 2.352 8.554 ( 1.678 0.000 4.997) 5.271 8.722 ( -6.065 0.000 -0.935) 6.137 8.873 ( 2.225 0.000 -2.852) 3.617 8.930 ( -1.158 0.000 0.538) 1.277 8.976 ( -2.493 0.000 3.410) 4.224 9.029 ( -7.435 0.000 -8.900) 11.597 9.120 ( 4.616 0.000 -4.739) 6.615 9.257 ( 7.074 0.000 1.483) 7.228 9.296 ( 3.093 0.000 4.574) 5.521 9.360 ( -1.827 0.000 4.143) 4.528 9.483 ( -0.062 0.000 -4.362) 4.363 9.655 ( 1.204 0.000 2.383) 2.670 9.656 ( -4.226 0.000 -1.021) 4.348 9.888 ( 0.704 0.000 -0.645) 0.954 9.925 ( -2.441 0.000 -5.164) 5.712 9.965 ( -5.679 0.000 -4.572) 7.291 10.079 ( 3.751 0.000 -3.528) 5.149 10.230 ( -1.320 0.000 -2.564) 2.884 10.239 ( 4.282 0.000 -2.530) 4.974 10.370 ( 0.213 0.000 1.760) 1.773 10.624 ( -3.917 0.000 0.818) 4.001 10.801 ( -6.670 0.000 -4.034) 7.795 10.810 ( 4.007 0.000 -0.402) 4.027 10.873 ( -1.778 0.000 4.429) 4.773 10.952 ( -2.296 0.000 -2.829) 3.644 10.980 ( 5.874 0.000 2.057) 6.224 11.070 ( -3.312 0.000 -7.351) 8.063 11.115 ( 0.286 0.000 3.752) 3.762 11.880 ( 0.142 0.000 -0.970) 0.980 11.966 ( 1.962 0.000 -0.297) 1.984 12.000 ( -2.561 0.000 0.776) 2.677 12.097 ( 5.427 0.000 4.158) 6.837 12.278 ( 1.261 0.000 1.222) 1.756 12.311 ( 3.936 0.000 2.058) 4.442 12.373 ( -2.595 0.000 -0.119) 2.598 12.402 ( 2.682 0.000 5.311) 5.950 12.482 ( -4.640 0.000 8.391) 9.588 12.528 ( 3.041 0.000 1.559) 3.418 12.574 ( -4.543 0.000 2.033) 4.977 12.693 ( -0.999 0.000 -1.349) 1.679 12.713 ( 3.437 0.000 -2.020) 3.987 12.914 ( -1.945 0.000 -3.848) 4.312 12.997 ( 2.300 0.000 1.695) 2.857 13.109 ( -1.120 0.000 1.888) 2.195 13.156 ( -2.311 0.000 -0.985) 2.512 13.190 ( -4.215 0.000 -2.856) 5.091 13.348 ( 5.758 0.000 -5.083) 7.681 13.369 ( 4.132 0.000 4.061) 5.793 13.525 ( -0.612 0.000 0.416) 0.740 13.694 ( 0.962 0.000 -2.510) 2.688 13.732 ( 2.337 0.000 -0.493) 2.388 13.827 ( -4.050 0.000 -6.197) 7.403 13.907 ( -1.094 0.000 -0.741) 1.322 13.933 ( -8.377 0.000 -3.006) 8.900 14.206 ( -4.117 0.000 12.183) 12.860 14.300 ( -3.278 0.000 2.452) 4.094 14.447 ( 3.636 0.000 0.379) 3.656 14.565 ( -0.999 0.000 3.534) 3.672 14.705 ( -3.520 0.000 -2.774) 4.482 14.767 ( 4.509 0.000 -5.951) 7.466 15.040 ( -0.223 0.000 -5.239) 5.244 15.100 ( 4.990 0.000 2.143) 5.431 15.344 ( 0.153 0.000 0.559) 0.579 15.383 ( 1.007 0.000 1.346) 1.681 15.394 ( -2.947 0.000 1.628) 3.367 15.457 ( -0.843 0.000 -1.178) 1.448 15.628 ( 1.228 0.000 -4.866) 5.019 15.728 ( -2.149 0.000 1.386) 2.558 15.940 ( 1.281 0.000 -3.740) 3.953 16.141 ( -2.195 0.000 0.825) 2.345 16.257 ( 3.747 0.000 7.314) 8.218 16.417 ( -0.524 0.000 0.095) 0.532 16.689 ( 4.546 0.000 1.289) 4.726 16.859 ( 3.114 0.000 2.212) 3.819 16.950 ( 0.995 0.000 -4.540) 4.648 17.070 ( 5.455 0.000 -1.536) 5.667 19.151 ( 0.689 0.000 -2.192) 2.297 19.245 ( 1.298 0.000 1.637) 2.089 19.476 ( -1.265 0.000 0.795) 1.494 19.620 ( -1.649 0.000 -2.643) 3.115 20.945 ( 1.290 0.000 1.614) 2.066 21.041 ( 1.850 0.000 -4.318) 4.698 21.071 ( -2.931 0.000 1.520) 3.301 21.203 ( -1.831 0.000 -0.534) 1.907 24.964 ( 0.578 0.000 0.432) 0.722 25.014 ( 0.300 0.000 1.436) 1.467 25.375 ( 0.970 0.000 0.941) 1.352 25.553 ( 2.843 0.000 6.921) 7.482 25.799 ( 0.135 0.000 -1.802) 1.807 25.872 ( -0.367 0.000 -3.072) 3.094 26.074 ( -0.621 0.000 1.157) 1.313 26.091 ( -0.230 0.000 1.335) 1.354 26.614 ( -1.125 0.000 -1.571) 1.933 26.905 ( -2.273 0.000 4.225) 4.797 26.999 ( -0.935 0.000 -2.974) 3.118 27.108 ( 4.663 0.000 10.563) 11.547 27.207 ( 6.238 0.000 -4.164) 7.500 27.212 ( 3.806 0.000 -0.812) 3.892 27.314 ( -2.125 0.000 2.449) 3.243 27.406 ( 3.888 0.000 3.043) 4.937 27.426 ( 1.549 0.000 -0.849) 1.767 27.478 ( 1.273 0.000 -1.252) 1.786 27.799 ( -1.857 0.000 -8.813) 9.007 27.882 ( -1.503 0.000 -1.666) 2.244 27.914 ( 4.070 0.000 6.552) 7.713 28.141 ( -3.800 0.000 -4.554) 5.931 28.195 ( 3.031 0.000 0.167) 3.036 28.325 ( -0.420 0.000 2.679) 2.712 28.414 ( -0.314 0.000 -0.097) 0.329 28.457 ( -2.774 0.000 1.546) 3.176 28.550 ( -13.994 0.000 -3.266) 14.370 28.642 ( -2.010 0.000 2.895) 3.524 28.663 ( -4.683 0.000 -4.844) 6.738 28.751 ( -4.365 0.000 -4.413) 6.207 29.212 ( -2.317 0.000 2.031) 3.081 29.629 ( 4.516 0.000 -1.693) 4.823 29.826 ( 0.765 0.000 9.334) 9.366 29.871 ( -0.824 0.000 1.357) 1.588 30.041 ( -0.876 0.000 1.529) 1.762 30.237 ( -3.916 0.000 -7.307) 8.290 30.313 ( -2.963 0.000 -7.486) 8.051 30.942 ( 4.254 0.000 3.747) 5.669 31.212 ( 8.840 0.000 4.137) 9.761 31.535 ( -0.482 0.000 -2.693) 2.736 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.000 0.000 -0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.561 ( 0.000 0.000 -0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.762 ( -0.000 0.000 -0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 -0.000) 0.000 3.997 ( 0.000 0.000 -0.000) 0.000 4.094 ( -0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 -0.000) 0.000 4.400 ( -0.000 0.000 -0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 -0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 -0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.835 ( -0.000 0.000 0.000) 0.000 4.864 ( -0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 5.049 ( -0.000 0.000 -0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 -0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 -0.000) 0.000 5.403 ( -0.000 0.000 -0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.684 ( -0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 -0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.023 ( -0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 -0.000) 0.000 6.050 ( 0.000 0.000 -0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.190 ( -0.000 0.000 -0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.408 ( -0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 -0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.801 ( -0.000 0.000 0.000) 0.000 6.890 ( -0.000 0.000 -0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.401 ( 0.000 0.000 0.000) 0.000 7.431 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 -0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 -0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 7.985 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 -0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.258 ( -0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.472 ( -0.000 0.000 -0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 8.685 ( -0.000 0.000 0.000) 0.000 8.773 ( 0.000 0.000 0.000) 0.000 8.885 ( 0.000 0.000 0.000) 0.000 8.958 ( 0.000 0.000 0.000) 0.000 8.967 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 -0.000) 0.000 9.363 ( -0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 -0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.598 ( 0.000 0.000 0.000) 0.000 9.667 ( 0.000 0.000 0.000) 0.000 9.871 ( 0.000 0.000 0.000) 0.000 9.882 ( 0.000 0.000 -0.000) 0.000 9.887 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.276 ( 0.000 0.000 -0.000) 0.000 10.379 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 10.850 ( -0.000 0.000 0.000) 0.000 10.878 ( 0.000 0.000 -0.000) 0.000 10.957 ( -0.000 0.000 -0.000) 0.000 10.963 ( 0.000 0.000 0.000) 0.000 11.063 ( -0.000 0.000 0.000) 0.000 11.118 ( 0.000 0.000 0.000) 0.000 11.875 ( 0.000 0.000 0.000) 0.000 11.984 ( 0.000 0.000 0.000) 0.000 11.994 ( 0.000 0.000 0.000) 0.000 12.218 ( 0.000 0.000 0.000) 0.000 12.227 ( -0.000 0.000 -0.000) 0.000 12.363 ( 0.000 0.000 0.000) 0.000 12.377 ( 0.000 0.000 -0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 12.485 ( 0.000 0.000 -0.000) 0.000 12.501 ( -0.000 0.000 0.000) 0.000 12.594 ( 0.000 0.000 0.000) 0.000 12.669 ( 0.000 0.000 0.000) 0.000 12.755 ( 0.000 0.000 -0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.068 ( 0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 13.189 ( 0.000 0.000 0.000) 0.000 13.361 ( 0.000 0.000 -0.000) 0.000 13.484 ( 0.000 0.000 0.000) 0.000 13.533 ( 0.000 0.000 0.000) 0.000 13.571 ( 0.000 0.000 0.000) 0.000 13.758 ( 0.000 0.000 0.000) 0.000 13.780 ( 0.000 0.000 0.000) 0.000 13.822 ( 0.000 0.000 0.000) 0.000 13.926 ( 0.000 0.000 0.000) 0.000 14.244 ( 0.000 0.000 0.000) 0.000 14.280 ( 0.000 0.000 -0.000) 0.000 14.487 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 -0.000) 0.000 14.647 ( 0.000 0.000 0.000) 0.000 14.772 ( 0.000 0.000 0.000) 0.000 15.013 ( 0.000 0.000 0.000) 0.000 15.172 ( 0.000 0.000 0.000) 0.000 15.348 ( 0.000 0.000 0.000) 0.000 15.373 ( 0.000 0.000 0.000) 0.000 15.408 ( 0.000 0.000 -0.000) 0.000 15.437 ( 0.000 0.000 0.000) 0.000 15.614 ( 0.000 0.000 0.000) 0.000 15.716 ( 0.000 0.000 0.000) 0.000 15.931 ( 0.000 0.000 0.000) 0.000 16.124 ( 0.000 0.000 0.000) 0.000 16.365 ( 0.000 0.000 0.000) 0.000 16.379 ( 0.000 0.000 -0.000) 0.000 16.741 ( 0.000 0.000 -0.000) 0.000 16.899 ( 0.000 0.000 0.000) 0.000 16.923 ( 0.000 0.000 0.000) 0.000 17.109 ( 0.000 0.000 0.000) 0.000 19.149 ( 0.000 0.000 0.000) 0.000 19.270 ( 0.000 0.000 0.000) 0.000 19.467 ( 0.000 0.000 0.000) 0.000 19.589 ( 0.000 0.000 0.000) 0.000 20.964 ( 0.000 0.000 0.000) 0.000 21.025 ( 0.000 0.000 -0.000) 0.000 21.060 ( 0.000 0.000 0.000) 0.000 21.184 ( 0.000 0.000 0.000) 0.000 24.971 ( 0.000 0.000 0.000) 0.000 25.024 ( 0.000 0.000 0.000) 0.000 25.388 ( 0.000 0.000 0.000) 0.000 25.616 ( 0.000 0.000 0.000) 0.000 25.792 ( 0.000 0.000 0.000) 0.000 25.853 ( 0.000 0.000 0.000) 0.000 26.074 ( 0.000 0.000 -0.000) 0.000 26.095 ( 0.000 0.000 0.000) 0.000 26.592 ( 0.000 0.000 0.000) 0.000 26.908 ( -0.000 0.000 0.000) 0.000 26.975 ( 0.000 0.000 -0.000) 0.000 27.197 ( 0.000 0.000 0.000) 0.000 27.243 ( 0.000 0.000 -0.000) 0.000 27.257 ( 0.000 0.000 0.000) 0.000 27.287 ( 0.000 0.000 0.000) 0.000 27.434 ( 0.000 0.000 -0.000) 0.000 27.480 ( 0.000 0.000 -0.000) 0.000 27.519 ( 0.000 0.000 0.000) 0.000 27.721 ( 0.000 0.000 0.000) 0.000 27.860 ( 0.000 0.000 0.000) 0.000 28.003 ( 0.000 0.000 0.000) 0.000 28.055 ( 0.000 0.000 0.000) 0.000 28.237 ( 0.000 0.000 -0.000) 0.000 28.362 ( 0.000 0.000 0.000) 0.000 28.377 ( -0.000 0.000 0.000) 0.000 28.388 ( 0.000 0.000 0.000) 0.000 28.441 ( 0.000 0.000 0.000) 0.000 28.592 ( 0.000 0.000 0.000) 0.000 28.646 ( 0.000 0.000 -0.000) 0.000 28.673 ( 0.000 0.000 0.000) 0.000 29.207 ( 0.000 0.000 0.000) 0.000 29.668 ( 0.000 0.000 0.000) 0.000 29.871 ( 0.000 0.000 0.000) 0.000 29.876 ( 0.000 0.000 0.000) 0.000 30.041 ( 0.000 0.000 0.000) 0.000 30.174 ( 0.000 0.000 0.000) 0.000 30.235 ( 0.000 0.000 -0.000) 0.000 31.002 ( 0.000 0.000 0.000) 0.000 31.323 ( 0.000 0.000 0.000) 0.000 31.505 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.000 30.219 0.000) 30.219 0.951 ( 0.000 41.135 0.000) 41.135 1.433 ( 0.000 57.489 0.000) 57.489 1.882 ( 0.000 -20.002 0.000) 20.002 2.540 ( 0.000 -22.030 0.000) 22.030 2.629 ( 0.000 -10.718 0.000) 10.718 2.684 ( 0.000 1.571 0.000) 1.571 2.902 ( 0.000 10.395 0.000) 10.395 2.921 ( 0.000 -3.110 0.000) 3.110 3.112 ( 0.000 -7.986 0.000) 7.986 3.131 ( 0.000 -9.081 0.000) 9.081 3.358 ( 0.000 7.224 0.000) 7.224 3.427 ( 0.000 2.190 0.000) 2.190 3.488 ( 0.000 1.903 0.000) 1.903 3.539 ( 0.000 4.586 0.000) 4.586 3.597 ( 0.000 4.643 0.000) 4.643 3.689 ( 0.000 -0.388 0.000) 0.388 3.717 ( 0.000 1.047 0.000) 1.047 3.861 ( 0.000 -1.457 0.000) 1.457 3.882 ( 0.000 6.656 0.000) 6.656 4.000 ( 0.000 -0.242 0.000) 0.242 4.086 ( 0.000 3.516 0.000) 3.516 4.148 ( 0.000 -9.189 0.000) 9.189 4.171 ( 0.000 2.029 0.000) 2.029 4.210 ( 0.000 -3.560 0.000) 3.560 4.279 ( 0.000 -2.500 0.000) 2.500 4.450 ( 0.000 -7.516 0.000) 7.516 4.508 ( 0.000 2.560 0.000) 2.560 4.547 ( 0.000 -13.954 0.000) 13.954 4.631 ( 0.000 12.314 0.000) 12.314 4.848 ( 0.000 -2.366 0.000) 2.366 4.883 ( 0.000 0.941 0.000) 0.941 4.912 ( 0.000 4.662 0.000) 4.662 4.967 ( 0.000 -3.936 0.000) 3.936 5.041 ( 0.000 -0.779 0.000) 0.779 5.046 ( 0.000 0.314 0.000) 0.314 5.108 ( 0.000 8.098 0.000) 8.098 5.213 ( 0.000 0.976 0.000) 0.976 5.298 ( 0.000 -7.134 0.000) 7.134 5.358 ( 0.000 -4.427 0.000) 4.427 5.428 ( 0.000 4.608 0.000) 4.608 5.504 ( 0.000 3.673 0.000) 3.673 5.626 ( 0.000 -1.127 0.000) 1.127 5.661 ( 0.000 -3.339 0.000) 3.339 5.694 ( 0.000 9.631 0.000) 9.631 5.705 ( 0.000 4.790 0.000) 4.790 5.778 ( 0.000 -1.032 0.000) 1.032 5.876 ( 0.000 0.423 0.000) 0.423 5.993 ( 0.000 -0.002 0.000) 0.002 5.996 ( 0.000 -0.444 0.000) 0.444 6.060 ( 0.000 2.740 0.000) 2.740 6.101 ( 0.000 1.118 0.000) 1.118 6.216 ( 0.000 -2.980 0.000) 2.980 6.246 ( 0.000 2.824 0.000) 2.824 6.265 ( 0.000 -1.248 0.000) 1.248 6.356 ( 0.000 0.735 0.000) 0.735 6.422 ( 0.000 -3.165 0.000) 3.165 6.508 ( 0.000 -2.712 0.000) 2.712 6.527 ( 0.000 -3.033 0.000) 3.033 6.636 ( 0.000 2.034 0.000) 2.034 6.638 ( 0.000 -7.708 0.000) 7.708 6.784 ( 0.000 -2.269 0.000) 2.269 6.899 ( 0.000 -2.309 0.000) 2.309 6.995 ( 0.000 -0.798 0.000) 0.798 7.132 ( 0.000 4.648 0.000) 4.648 7.135 ( 0.000 -6.301 0.000) 6.301 7.296 ( 0.000 -2.070 0.000) 2.070 7.447 ( 0.000 -1.693 0.000) 1.693 7.479 ( 0.000 -0.749 0.000) 0.749 7.495 ( 0.000 -3.211 0.000) 3.211 7.723 ( 0.000 6.227 0.000) 6.227 7.810 ( 0.000 2.561 0.000) 2.561 7.949 ( 0.000 -2.546 0.000) 2.546 8.058 ( 0.000 -0.453 0.000) 0.453 8.096 ( 0.000 -1.770 0.000) 1.770 8.126 ( 0.000 -1.091 0.000) 1.091 8.240 ( 0.000 8.844 0.000) 8.844 8.446 ( 0.000 0.681 0.000) 0.681 8.549 ( 0.000 3.622 0.000) 3.622 8.679 ( 0.000 1.083 0.000) 1.083 8.730 ( 0.000 -0.510 0.000) 0.510 8.796 ( 0.000 2.808 0.000) 2.808 8.883 ( 0.000 5.006 0.000) 5.006 8.940 ( 0.000 -5.073 0.000) 5.073 8.999 ( 0.000 8.270 0.000) 8.270 9.015 ( 0.000 -1.487 0.000) 1.487 9.105 ( 0.000 2.427 0.000) 2.427 9.245 ( 0.000 -6.387 0.000) 6.387 9.254 ( 0.000 -0.711 0.000) 0.711 9.300 ( 0.000 2.417 0.000) 2.417 9.338 ( 0.000 -7.131 0.000) 7.131 9.451 ( 0.000 2.756 0.000) 2.756 9.616 ( 0.000 -3.728 0.000) 3.728 9.770 ( 0.000 7.812 0.000) 7.812 9.806 ( 0.000 -10.177 0.000) 10.177 9.984 ( 0.000 -0.199 0.000) 0.199 10.084 ( 0.000 0.849 0.000) 0.849 10.181 ( 0.000 -3.930 0.000) 3.930 10.269 ( 0.000 -1.326 0.000) 1.326 10.343 ( 0.000 -1.027 0.000) 1.027 10.553 ( 0.000 -0.167 0.000) 0.167 10.686 ( 0.000 -3.204 0.000) 3.204 10.698 ( 0.000 -4.216 0.000) 4.216 10.791 ( 0.000 -1.939 0.000) 1.939 10.897 ( 0.000 2.855 0.000) 2.855 11.145 ( 0.000 -7.361 0.000) 7.361 11.304 ( 0.000 -0.692 0.000) 0.692 11.318 ( 0.000 0.780 0.000) 0.780 11.805 ( 0.000 2.619 0.000) 2.619 11.913 ( 0.000 7.589 0.000) 7.589 12.031 ( 0.000 -8.554 0.000) 8.554 12.106 ( 0.000 5.233 0.000) 5.233 12.153 ( 0.000 1.919 0.000) 1.919 12.226 ( 0.000 3.170 0.000) 3.170 12.291 ( 0.000 -1.418 0.000) 1.418 12.308 ( 0.000 4.001 0.000) 4.001 12.494 ( 0.000 5.824 0.000) 5.824 12.581 ( 0.000 -5.765 0.000) 5.765 12.634 ( 0.000 1.781 0.000) 1.781 12.778 ( 0.000 3.758 0.000) 3.758 12.791 ( 0.000 -8.559 0.000) 8.559 12.951 ( 0.000 3.835 0.000) 3.835 12.970 ( 0.000 -1.297 0.000) 1.297 13.050 ( 0.000 -2.254 0.000) 2.254 13.171 ( 0.000 2.078 0.000) 2.078 13.229 ( 0.000 1.684 0.000) 1.684 13.243 ( 0.000 -4.333 0.000) 4.333 13.335 ( 0.000 -9.399 0.000) 9.399 13.368 ( 0.000 5.232 0.000) 5.232 13.676 ( 0.000 -2.824 0.000) 2.824 13.748 ( 0.000 6.086 0.000) 6.086 13.834 ( 0.000 -0.335 0.000) 0.335 13.947 ( 0.000 -6.815 0.000) 6.815 14.169 ( 0.000 -10.445 0.000) 10.445 14.298 ( 0.000 9.429 0.000) 9.429 14.356 ( 0.000 10.755 0.000) 10.755 14.601 ( 0.000 -0.948 0.000) 0.948 14.691 ( 0.000 4.200 0.000) 4.200 14.701 ( 0.000 6.382 0.000) 6.382 14.972 ( 0.000 -5.203 0.000) 5.203 15.252 ( 0.000 3.012 0.000) 3.012 15.385 ( 0.000 -0.988 0.000) 0.988 15.470 ( 0.000 0.802 0.000) 0.802 15.479 ( 0.000 -0.613 0.000) 0.613 15.507 ( 0.000 6.349 0.000) 6.349 15.563 ( 0.000 0.045 0.000) 0.045 15.729 ( 0.000 3.090 0.000) 3.090 15.875 ( 0.000 5.457 0.000) 5.457 16.012 ( 0.000 -3.230 0.000) 3.230 16.091 ( 0.000 -10.170 0.000) 10.170 16.128 ( 0.000 -1.179 0.000) 1.179 16.332 ( 0.000 -5.241 0.000) 5.241 16.536 ( 0.000 0.478 0.000) 0.478 16.600 ( 0.000 0.094 0.000) 0.094 16.748 ( 0.000 3.891 0.000) 3.891 16.866 ( 0.000 -1.591 0.000) 1.591 19.089 ( 0.000 4.135 0.000) 4.135 19.332 ( 0.000 5.911 0.000) 5.911 19.391 ( 0.000 -6.455 0.000) 6.455 19.752 ( 0.000 -9.663 0.000) 9.663 20.883 ( 0.000 5.963 0.000) 5.963 21.052 ( 0.000 2.624 0.000) 2.624 21.106 ( 0.000 -2.553 0.000) 2.553 21.171 ( 0.000 -1.694 0.000) 1.694 24.922 ( 0.000 -0.025 0.000) 0.025 24.966 ( 0.000 -1.741 0.000) 1.741 25.211 ( 0.000 1.367 0.000) 1.367 25.277 ( 0.000 -0.859 0.000) 0.859 25.987 ( 0.000 0.791 0.000) 0.791 26.024 ( 0.000 -0.889 0.000) 0.889 26.045 ( 0.000 2.522 0.000) 2.522 26.135 ( 0.000 -0.158 0.000) 0.158 26.373 ( 0.000 3.434 0.000) 3.434 26.576 ( 0.000 -3.485 0.000) 3.485 26.964 ( 0.000 1.398 0.000) 1.398 27.043 ( 0.000 -0.471 0.000) 0.471 27.050 ( 0.000 1.073 0.000) 1.073 27.095 ( 0.000 -2.257 0.000) 2.257 27.271 ( 0.000 2.953 0.000) 2.953 27.430 ( 0.000 -0.966 0.000) 0.966 27.454 ( 0.000 2.663 0.000) 2.663 27.608 ( 0.000 -3.629 0.000) 3.629 27.866 ( 0.000 0.323 0.000) 0.323 27.931 ( 0.000 -2.085 0.000) 2.085 28.075 ( 0.000 4.265 0.000) 4.265 28.159 ( 0.000 3.468 0.000) 3.468 28.182 ( 0.000 1.662 0.000) 1.662 28.302 ( 0.000 -2.477 0.000) 2.477 28.397 ( 0.000 -0.975 0.000) 0.975 28.428 ( 0.000 -6.142 0.000) 6.142 28.699 ( 0.000 0.303 0.000) 0.303 28.893 ( 0.000 -6.772 0.000) 6.772 28.971 ( 0.000 10.418 0.000) 10.418 29.371 ( 0.000 5.174 0.000) 5.174 29.379 ( 0.000 -3.800 0.000) 3.800 29.500 ( 0.000 -1.286 0.000) 1.286 29.744 ( 0.000 1.059 0.000) 1.059 29.811 ( 0.000 -2.653 0.000) 2.653 29.949 ( 0.000 3.450 0.000) 3.450 30.102 ( 0.000 -2.803 0.000) 2.803 30.567 ( 0.000 0.815 0.000) 0.815 30.643 ( 0.000 -0.420 0.000) 0.420 30.914 ( 0.000 2.266 0.000) 2.266 31.163 ( 0.000 -5.005 0.000) 5.005 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 11.555 34.281 9.124) 37.308 1.278 ( 26.465 25.988 15.054) 40.030 1.866 ( 39.177 33.879 24.041) 57.101 2.188 ( 17.940 -15.312 20.283) 31.108 2.569 ( 4.940 -19.092 -2.074) 19.829 2.650 ( -1.887 -9.256 5.624) 10.994 2.743 ( 0.381 -0.225 8.334) 8.346 2.943 ( 4.115 -2.669 -4.885) 6.922 2.999 ( 10.736 4.367 -3.281) 12.045 3.092 ( -4.718 -9.224 6.988) 12.497 3.193 ( 2.852 0.825 0.338) 2.988 3.329 ( -1.765 2.801 -6.033) 6.881 3.359 ( -2.250 -1.227 -8.889) 9.251 3.516 ( -0.527 2.369 4.791) 5.371 3.555 ( -4.233 -4.312 -3.820) 7.149 3.605 ( 1.919 12.968 5.621) 14.264 3.668 ( -2.374 -4.553 -1.108) 5.253 3.698 ( 4.068 1.575 -1.535) 4.624 3.849 ( -0.501 1.202 2.175) 2.535 3.914 ( -0.161 3.542 -0.184) 3.550 4.002 ( 1.035 3.915 1.015) 4.175 4.049 ( -2.755 0.493 -4.836) 5.588 4.101 ( -2.776 4.269 0.490) 5.115 4.207 ( 3.004 3.723 6.047) 7.710 4.251 ( 0.569 -7.071 2.167) 7.418 4.296 ( 0.923 -4.078 0.648) 4.231 4.411 ( -5.577 -2.343 1.297) 6.187 4.483 ( -2.900 -1.052 -2.900) 4.234 4.587 ( 3.612 -4.767 -0.714) 6.023 4.598 ( 0.855 1.449 1.763) 2.437 4.721 ( -7.561 4.603 -4.692) 10.018 4.843 ( 0.906 -2.969 -2.053) 3.722 4.901 ( 0.259 -1.814 -3.246) 3.727 4.946 ( -8.617 0.659 4.032) 9.536 5.008 ( -2.732 4.710 0.644) 5.483 5.063 ( 0.150 -0.244 1.824) 1.847 5.114 ( 0.690 -3.848 1.585) 4.219 5.187 ( -1.701 1.234 -2.598) 3.342 5.280 ( -2.613 -5.220 -3.900) 7.021 5.385 ( 1.055 4.668 -3.372) 5.854 5.398 ( 3.111 -1.228 -0.110) 3.346 5.479 ( -3.876 -0.593 -0.405) 3.942 5.612 ( 4.558 1.297 -6.846) 8.326 5.659 ( -1.225 0.596 -1.202) 1.817 5.680 ( 1.369 1.893 -2.047) 3.106 5.764 ( 2.140 3.145 3.439) 5.128 5.810 ( 3.051 2.862 -4.247) 5.961 5.834 ( -4.302 -0.424 1.945) 4.740 5.878 ( -3.144 -0.158 -6.280) 7.025 5.991 ( -2.128 1.270 -0.826) 2.612 6.012 ( -5.666 -1.091 1.117) 5.877 6.092 ( 0.135 5.512 -0.745) 5.564 6.186 ( -6.047 -0.020 -1.696) 6.280 6.245 ( 1.189 1.193 -2.783) 3.253 6.278 ( -1.882 -2.454 0.718) 3.175 6.332 ( 0.359 -2.403 -5.622) 6.125 6.364 ( 0.283 -1.756 -0.763) 1.935 6.420 ( -7.304 -5.749 -0.287) 9.299 6.502 ( -2.963 -1.442 -0.183) 3.301 6.591 ( -2.345 -3.391 4.715) 6.263 6.657 ( -0.990 2.913 2.067) 3.707 6.750 ( -1.635 -4.762 -3.745) 6.275 6.872 ( -1.017 3.931 2.140) 4.589 6.933 ( -4.409 -2.204 -5.229) 7.186 7.092 ( -1.269 -4.474 -2.429) 5.246 7.193 ( 1.748 0.510 4.126) 4.510 7.356 ( -1.661 -3.731 -0.124) 4.086 7.380 ( 0.069 -2.329 1.459) 2.749 7.490 ( 1.284 -0.014 0.675) 1.451 7.567 ( 2.317 -3.611 3.402) 5.476 7.745 ( 2.977 5.106 -4.735) 7.573 7.807 ( -1.795 3.182 4.008) 5.423 7.889 ( -5.877 1.401 -0.536) 6.066 7.919 ( -2.691 5.042 -7.669) 9.564 8.121 ( 0.837 -3.535 1.149) 3.810 8.203 ( 6.073 5.077 -12.552) 14.839 8.274 ( -5.807 -5.911 16.067) 18.077 8.448 ( 0.358 1.495 -0.066) 1.539 8.556 ( -1.976 5.840 1.210) 6.283 8.620 ( -6.986 1.788 -0.129) 7.212 8.676 ( -3.578 0.605 1.657) 3.989 8.740 ( 2.193 2.449 -1.942) 3.818 8.856 ( -3.706 -1.349 -0.820) 4.028 8.948 ( 0.270 -4.697 2.399) 5.281 8.976 ( -0.039 3.874 -1.804) 4.273 9.014 ( 2.496 5.065 -1.098) 5.752 9.111 ( -3.893 -1.623 4.981) 6.527 9.223 ( 0.049 3.385 5.612) 6.554 9.260 ( 3.623 -0.853 -3.004) 4.783 9.298 ( -0.772 0.572 0.094) 0.966 9.465 ( 2.034 1.580 0.846) 2.711 9.546 ( 8.780 -11.846 -8.686) 17.113 9.647 ( 1.527 -1.955 2.318) 3.395 9.794 ( 2.194 -2.329 -0.372) 3.221 9.845 ( 3.320 -4.570 -0.400) 5.662 10.002 ( 2.051 -3.429 1.123) 4.151 10.086 ( -1.316 1.565 1.402) 2.480 10.197 ( 3.195 -4.856 -1.964) 6.135 10.308 ( 2.046 0.417 -0.286) 2.108 10.371 ( 0.250 -0.908 2.437) 2.613 10.589 ( 0.447 -3.876 4.520) 5.971 10.687 ( 0.106 -3.126 0.431) 3.157 10.729 ( -0.382 -5.402 3.780) 6.604 10.792 ( 0.845 -0.389 2.217) 2.405 10.954 ( 2.762 2.174 4.279) 5.537 11.136 ( 0.011 -5.981 -3.433) 6.896 11.205 ( -4.195 1.443 -4.007) 5.978 11.287 ( -3.658 -0.232 -5.204) 6.365 11.826 ( 0.945 0.513 3.100) 3.281 11.930 ( 1.603 5.744 -0.114) 5.965 12.050 ( 0.113 -7.695 0.564) 7.716 12.112 ( -3.301 3.729 0.627) 5.020 12.159 ( 1.422 1.793 3.243) 3.969 12.221 ( 0.006 2.298 1.102) 2.549 12.244 ( -2.096 2.160 3.372) 4.519 12.400 ( 1.894 4.310 5.000) 6.867 12.465 ( -2.494 4.836 -1.744) 5.714 12.568 ( -2.614 -5.635 1.428) 6.374 12.589 ( -1.735 4.668 -1.195) 5.121 12.718 ( -5.320 -0.740 2.144) 5.783 12.791 ( -0.482 -6.194 -2.359) 6.645 12.898 ( 0.146 4.200 -6.231) 7.516 13.044 ( 0.907 -0.787 -0.906) 1.505 13.076 ( 2.524 -0.056 1.434) 2.903 13.107 ( -1.346 3.023 1.412) 3.598 13.178 ( -1.395 0.937 -1.602) 2.322 13.252 ( 2.581 0.572 -3.102) 4.076 13.375 ( 2.783 -5.507 8.239) 10.293 13.438 ( 4.247 -4.262 2.010) 6.344 13.559 ( -11.509 -6.604 -1.153) 13.319 13.749 ( -2.532 2.761 4.860) 6.136 13.814 ( 0.575 6.207 -0.872) 6.294 14.012 ( -2.745 -6.128 8.701) 10.991 14.180 ( 1.956 -5.351 -1.166) 5.816 14.303 ( 1.880 8.757 -1.102) 9.024 14.407 ( 2.380 5.837 -0.609) 6.333 14.523 ( -5.906 2.093 -1.564) 6.458 14.623 ( -4.654 4.543 0.098) 6.505 14.707 ( 0.861 2.447 -5.371) 5.964 14.953 ( -2.260 -4.326 1.041) 4.990 15.226 ( -4.680 4.401 0.011) 6.424 15.292 ( -3.737 5.602 -8.801) 11.082 15.346 ( -3.210 0.363 -0.854) 3.341 15.508 ( -3.400 10.008 -2.022) 10.762 15.514 ( -0.427 4.944 0.456) 4.983 15.560 ( 3.564 -2.651 -3.963) 5.952 15.655 ( 1.782 3.705 -5.767) 7.082 15.876 ( -1.734 4.351 -0.867) 4.763 15.983 ( 1.099 -2.091 -6.584) 6.995 16.082 ( -1.761 -8.558 1.892) 8.939 16.164 ( 0.779 0.831 2.839) 3.059 16.355 ( 4.483 -1.737 -4.626) 6.672 16.454 ( -4.391 3.392 2.560) 6.111 16.697 ( 5.471 2.476 -1.004) 6.088 16.744 ( 5.475 -3.344 -1.848) 6.676 16.819 ( 5.328 -0.136 -3.189) 6.211 19.129 ( 2.859 -0.913 -3.589) 4.679 19.319 ( 1.641 1.031 -2.887) 3.477 19.396 ( -1.348 -2.481 1.707) 3.299 19.692 ( -2.123 -5.847 -3.647) 7.210 20.901 ( 1.504 5.795 1.233) 6.113 21.048 ( 2.999 3.467 -2.064) 5.027 21.142 ( -1.627 -2.723 1.089) 3.354 21.224 ( 1.485 -4.062 3.419) 5.513 24.943 ( 0.045 -0.351 3.539) 3.557 24.949 ( -0.441 0.058 -0.201) 0.488 25.254 ( 2.633 0.047 3.340) 4.253 25.296 ( 1.724 -0.783 0.955) 2.121 25.945 ( -1.955 3.456 -5.396) 6.699 25.994 ( 0.027 0.922 -4.296) 4.394 26.052 ( -0.467 1.668 3.561) 3.960 26.076 ( -1.429 1.418 2.652) 3.329 26.532 ( 4.464 -0.525 6.056) 7.542 26.670 ( 5.226 -7.863 5.387) 10.870 26.942 ( -1.469 1.858 -0.419) 2.405 27.045 ( 3.335 0.106 -3.236) 4.648 27.068 ( 0.291 -1.239 -0.233) 1.293 27.106 ( 0.680 -1.696 1.408) 2.307 27.267 ( 0.990 2.699 -2.065) 3.539 27.432 ( 0.394 -1.624 -1.787) 2.447 27.447 ( -0.030 3.504 0.121) 3.506 27.625 ( 1.708 1.352 -1.019) 2.405 27.723 ( -4.339 3.167 -2.904) 6.107 27.944 ( -1.019 -5.303 -1.804) 5.694 28.049 ( -1.836 4.555 -1.818) 5.237 28.152 ( 0.347 2.536 -1.069) 2.774 28.217 ( -0.104 1.031 7.345) 7.418 28.303 ( -0.525 1.719 -0.161) 1.805 28.374 ( -1.038 -6.189 -1.306) 6.410 28.450 ( -0.724 -1.276 3.501) 3.796 28.677 ( -3.182 -0.396 0.974) 3.351 28.832 ( -5.339 -4.614 2.159) 7.380 28.909 ( -3.958 4.956 -1.415) 6.498 29.208 ( -10.653 -3.012 -0.438) 11.080 29.387 ( -5.711 6.767 -0.946) 8.905 29.563 ( 7.044 6.125 0.304) 9.340 29.724 ( -0.710 1.496 -0.590) 1.758 29.899 ( -1.717 -0.236 4.047) 4.403 30.042 ( -1.866 -3.228 6.447) 7.447 30.147 ( 10.995 -9.746 -4.059) 15.243 30.533 ( -3.526 -1.742 -1.661) 4.270 30.688 ( 2.433 -5.128 1.791) 5.951 30.907 ( 3.525 7.290 0.185) 8.100 31.321 ( 11.698 -11.099 -1.262) 16.175 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 16.712 23.295 9.246) 30.124 1.765 ( 25.891 25.686 -2.044) 36.528 2.490 ( -4.322 -10.753 -0.873) 11.622 2.622 ( -0.001 -14.177 2.904) 14.471 2.724 ( -3.421 1.181 1.078) 3.776 2.779 ( 6.301 1.525 9.498) 11.500 2.854 ( 12.717 -1.893 11.667) 17.362 2.964 ( 1.104 -2.287 -7.669) 8.079 3.011 ( 1.724 4.303 -8.254) 9.467 3.028 ( 4.920 -2.072 -0.867) 5.408 3.191 ( 8.204 0.154 -3.754) 9.023 3.233 ( 3.458 -4.929 -5.534) 8.177 3.282 ( -2.559 -5.747 -6.307) 8.909 3.421 ( 1.780 9.211 0.098) 9.382 3.559 ( -4.056 -11.784 -0.189) 12.464 3.607 ( -2.344 -3.436 3.146) 5.215 3.688 ( 2.417 8.495 7.470) 11.568 3.775 ( 0.353 3.022 -2.019) 3.651 3.842 ( -2.509 13.689 2.811) 14.198 3.880 ( -3.312 8.074 0.566) 8.745 3.952 ( -0.709 3.796 -4.466) 5.904 4.000 ( -2.488 -2.263 -5.528) 6.471 4.115 ( 6.158 5.545 1.122) 8.362 4.242 ( -2.905 -2.242 5.222) 6.383 4.284 ( -4.972 -1.697 1.143) 5.376 4.344 ( 1.891 -1.181 4.728) 5.227 4.385 ( -0.522 7.188 5.793) 9.247 4.439 ( -0.687 -0.893 -1.486) 1.865 4.502 ( 0.399 -1.280 -4.273) 4.478 4.593 ( 1.234 -1.320 2.238) 2.877 4.801 ( 5.520 -5.993 4.569) 9.341 4.818 ( -0.032 -0.913 -4.159) 4.258 4.866 ( -4.392 4.801 3.723) 7.496 4.893 ( -6.198 4.246 0.215) 7.516 4.974 ( 2.733 -12.400 3.700) 13.226 5.091 ( -0.035 -0.570 -3.192) 3.242 5.101 ( -2.067 1.907 -3.817) 4.742 5.125 ( 1.187 -2.381 5.967) 6.533 5.268 ( 1.982 -5.677 0.738) 6.058 5.316 ( -9.109 -1.976 -1.180) 9.395 5.390 ( 0.913 1.945 1.165) 2.444 5.493 ( 3.671 -2.696 0.522) 4.584 5.566 ( -1.223 1.409 -8.130) 8.342 5.585 ( -6.776 3.496 -0.623) 7.650 5.701 ( -2.622 2.183 -6.422) 7.272 5.714 ( 1.933 1.663 0.381) 2.579 5.778 ( 0.966 -1.801 -3.752) 4.273 5.843 ( -1.470 -0.901 -0.345) 1.758 5.868 ( -2.827 1.700 -2.016) 3.866 5.919 ( 6.088 2.380 4.426) 7.894 5.982 ( -2.055 2.838 -3.227) 4.764 6.040 ( 1.150 -1.260 -0.636) 1.820 6.128 ( -3.396 4.299 1.194) 5.607 6.189 ( -2.855 -3.332 -2.468) 5.034 6.280 ( -0.819 -2.013 2.297) 3.162 6.293 ( -1.468 -0.698 -1.088) 1.955 6.326 ( -3.386 -0.104 4.886) 5.946 6.368 ( -0.142 -4.576 3.651) 5.856 6.463 ( 0.997 -2.450 -4.471) 5.195 6.634 ( -3.409 0.884 0.033) 3.522 6.648 ( 0.031 -4.871 4.953) 6.947 6.682 ( -0.542 0.980 1.416) 1.806 6.811 ( -3.581 0.992 -2.214) 4.326 6.915 ( 2.493 -1.047 0.342) 2.725 7.033 ( -3.389 -5.786 -1.341) 6.838 7.225 ( -1.110 -2.694 0.528) 2.961 7.327 ( -0.364 3.120 2.304) 3.895 7.392 ( -3.242 -2.512 4.668) 6.214 7.525 ( 2.591 0.975 -3.024) 4.100 7.633 ( 1.367 -5.765 2.854) 6.577 7.673 ( -4.952 3.956 -4.377) 7.702 7.787 ( 0.276 1.495 -9.831) 9.948 7.826 ( -2.624 1.131 5.708) 6.383 7.861 ( -2.374 0.857 4.896) 5.508 8.114 ( 0.775 0.046 -5.141) 5.199 8.152 ( 0.520 5.692 -5.950) 8.251 8.291 ( -5.267 -6.914 7.986) 11.803 8.417 ( -6.477 0.109 -0.146) 6.480 8.511 ( -3.751 5.154 -1.434) 6.534 8.519 ( -1.395 6.289 1.420) 6.597 8.640 ( 0.188 4.851 -2.248) 5.350 8.781 ( -3.361 -2.385 1.918) 4.546 8.841 ( 4.889 -4.467 -1.091) 6.712 8.944 ( -1.150 3.273 -1.617) 3.827 8.994 ( -1.291 -3.997 3.940) 5.759 9.022 ( 2.226 3.387 -2.074) 4.553 9.132 ( 2.758 1.065 1.998) 3.568 9.244 ( -0.680 1.350 -4.508) 4.755 9.274 ( 0.969 0.834 1.880) 2.273 9.323 ( 1.872 0.461 1.473) 2.426 9.462 ( -0.385 -0.193 -3.137) 3.166 9.580 ( 1.377 -4.971 0.545) 5.187 9.702 ( 2.591 -0.229 1.345) 2.928 9.810 ( -0.285 -5.165 -0.241) 5.179 9.888 ( 3.309 -5.120 -5.805) 8.417 10.023 ( -1.038 -2.687 -0.256) 2.892 10.076 ( 0.702 0.852 -0.166) 1.116 10.211 ( 1.380 -4.959 -3.936) 6.480 10.308 ( 0.655 3.742 -3.473) 5.147 10.386 ( 0.293 2.376 1.330) 2.738 10.607 ( -3.448 -4.318 3.378) 6.476 10.696 ( 1.813 -3.234 -1.530) 4.011 10.747 ( -2.171 -6.616 5.113) 8.638 10.848 ( 2.111 -3.379 -1.685) 4.326 11.022 ( -2.231 1.855 -1.314) 3.186 11.077 ( 0.651 3.834 5.009) 6.341 11.120 ( -5.045 1.208 -5.454) 7.527 11.171 ( -0.048 0.249 -2.353) 2.366 11.883 ( 1.432 -0.530 1.505) 2.144 11.921 ( -0.334 0.814 -3.267) 3.383 12.048 ( 0.855 0.430 1.638) 1.897 12.090 ( -2.516 0.692 3.922) 4.710 12.191 ( 0.787 -0.914 1.863) 2.220 12.261 ( 2.605 2.193 0.748) 3.487 12.272 ( -1.036 2.727 5.159) 5.926 12.406 ( -2.912 -1.932 -0.133) 3.498 12.439 ( -2.701 3.152 6.456) 7.675 12.550 ( -1.958 -2.599 3.275) 4.617 12.608 ( 3.956 1.071 -0.290) 4.109 12.653 ( -4.650 3.586 0.760) 5.922 12.750 ( -1.042 -9.605 -1.261) 9.743 12.829 ( -0.427 4.326 -5.542) 7.043 13.031 ( -1.946 -1.890 0.343) 2.734 13.101 ( 0.290 2.111 -1.471) 2.589 13.117 ( 2.242 0.739 1.895) 3.027 13.237 ( 4.888 -3.110 -4.549) 7.366 13.282 ( 2.137 -0.369 1.959) 2.923 13.344 ( -8.475 -6.029 -1.359) 10.489 13.530 ( 4.868 -1.313 1.234) 5.190 13.548 ( 8.495 -3.346 3.295) 9.707 13.744 ( -3.112 2.618 3.780) 5.552 13.825 ( 1.267 4.627 -0.181) 4.800 14.017 ( -6.051 -4.252 7.810) 10.756 14.148 ( -5.837 -3.645 -0.023) 6.882 14.232 ( -8.435 5.541 -4.870) 11.206 14.383 ( -2.772 1.891 -1.029) 3.510 14.493 ( -0.188 7.841 2.572) 8.254 14.562 ( -0.059 -0.144 2.458) 2.463 14.668 ( 0.908 2.893 -4.050) 5.060 14.933 ( -0.161 -3.036 -0.637) 3.106 15.104 ( -2.030 9.410 -6.815) 11.795 15.226 ( 1.074 6.921 -4.745) 8.460 15.315 ( -0.543 0.029 1.908) 1.984 15.431 ( -1.550 5.228 -4.250) 6.914 15.498 ( -1.982 4.214 0.558) 4.690 15.548 ( -1.310 2.657 -1.513) 3.326 15.669 ( 3.233 3.292 -2.212) 5.117 15.818 ( -3.704 4.355 -0.258) 5.722 15.943 ( 2.066 -1.759 -5.472) 6.107 16.070 ( -1.455 -5.678 1.193) 5.981 16.220 ( 3.157 4.219 2.871) 6.001 16.387 ( 3.090 -0.846 -1.837) 3.693 16.491 ( 1.698 -3.899 4.636) 6.291 16.786 ( 5.575 0.291 1.358) 5.746 16.866 ( 3.935 -6.429 -3.280) 8.221 16.888 ( 8.372 -4.279 -1.049) 9.460 19.126 ( 1.183 -0.178 -1.948) 2.286 19.317 ( 1.249 3.276 -2.964) 4.591 19.388 ( -1.965 -5.039 2.792) 6.087 19.627 ( -2.150 -4.996 -2.515) 5.992 20.947 ( 2.125 4.589 1.106) 5.177 21.076 ( 2.031 3.131 -3.111) 4.859 21.120 ( -0.090 -0.658 -0.910) 1.127 21.231 ( -2.447 -1.856 1.328) 3.347 24.956 ( 0.603 0.645 0.762) 1.166 24.982 ( 0.396 -0.370 2.933) 2.983 25.325 ( 2.177 -0.786 1.380) 2.695 25.374 ( 3.740 -2.371 4.954) 6.645 25.878 ( -0.687 3.819 -3.434) 5.182 25.946 ( -0.536 1.474 -3.749) 4.064 26.085 ( -0.067 0.909 2.576) 2.732 26.088 ( -0.782 1.057 2.738) 3.037 26.627 ( 0.796 0.340 3.299) 3.411 26.783 ( 1.196 -6.637 5.997) 9.024 26.947 ( 1.539 0.902 3.536) 3.961 27.035 ( -2.196 -2.062 -1.159) 3.228 27.099 ( 5.533 -0.214 -1.705) 5.794 27.160 ( 5.141 -0.858 -1.882) 5.542 27.276 ( 2.379 1.554 -1.510) 3.217 27.405 ( -1.207 -2.097 -1.779) 3.003 27.471 ( 2.118 6.323 2.074) 6.984 27.588 ( -2.111 7.078 -3.195) 8.047 27.753 ( 3.933 -2.818 4.217) 6.418 27.883 ( -1.366 -3.656 -4.800) 6.186 27.994 ( -1.647 5.068 -1.969) 5.681 28.184 ( 2.563 2.618 0.451) 3.691 28.261 ( -0.734 -2.768 1.998) 3.492 28.267 ( -2.652 2.373 -1.632) 3.915 28.357 ( 0.026 -3.938 0.718) 4.003 28.467 ( -1.373 -0.043 2.749) 3.073 28.596 ( -7.476 -2.873 -0.046) 8.009 28.731 ( -4.683 -5.423 -5.908) 9.287 28.844 ( -5.125 1.983 3.601) 6.570 29.019 ( -9.788 2.841 -1.229) 10.266 29.252 ( -7.490 4.833 -0.004) 8.914 29.637 ( 3.817 2.748 -5.768) 7.443 29.750 ( -0.626 3.007 8.525) 9.061 29.902 ( -0.871 1.962 2.000) 2.934 30.031 ( -2.500 -1.204 2.505) 3.738 30.214 ( 2.585 -10.985 -8.171) 13.933 30.442 ( -3.906 -0.175 -3.814) 5.462 30.729 ( 2.339 -7.839 3.465) 8.884 31.075 ( 10.921 7.438 3.331) 13.627 31.452 ( 5.572 -7.687 -1.411) 9.598 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 14.648 13.323 2.987) 20.024 2.082 ( 13.993 14.301 -7.361) 21.319 2.267 ( -15.422 -2.850 -3.227) 16.011 2.320 ( -16.557 3.456 -20.870) 26.863 2.513 ( -12.506 -2.737 -18.003) 22.091 2.554 ( -10.438 -2.373 -2.450) 10.981 2.740 ( -0.638 1.793 -10.652) 10.821 2.870 ( -0.222 -9.124 3.056) 9.625 3.071 ( 0.804 2.430 -2.697) 3.718 3.131 ( -0.267 -1.378 -5.930) 6.094 3.265 ( 0.277 -4.837 -2.508) 5.455 3.332 ( 5.338 -1.954 -4.614) 7.321 3.357 ( 5.400 -3.726 -0.284) 6.566 3.512 ( -1.594 -14.520 4.485) 15.280 3.566 ( 1.821 7.878 3.700) 8.893 3.672 ( -1.341 3.336 3.078) 4.733 3.733 ( -1.621 9.975 -3.061) 10.559 3.746 ( -7.399 9.149 6.067) 13.238 3.834 ( 3.404 7.352 1.987) 8.342 3.897 ( 3.438 -0.744 -4.048) 5.363 3.979 ( 5.176 1.286 -0.250) 5.339 4.022 ( 16.259 0.889 8.345) 18.297 4.149 ( -6.832 -3.152 -0.458) 7.538 4.255 ( 5.478 -0.116 2.865) 6.183 4.307 ( 3.677 7.384 6.780) 10.678 4.384 ( 0.659 -3.605 -4.309) 5.656 4.424 ( 2.034 3.565 5.168) 6.599 4.486 ( 2.569 6.638 8.620) 11.178 4.580 ( 2.237 -6.418 2.553) 7.260 4.650 ( 1.988 -2.509 -1.323) 3.464 4.760 ( -3.187 -0.200 -1.944) 3.738 4.808 ( -1.895 0.141 3.135) 3.666 4.833 ( 1.713 4.539 -1.039) 4.962 4.893 ( -0.702 -1.809 5.755) 6.074 4.959 ( -5.683 0.203 -2.415) 6.178 5.063 ( 1.247 1.875 -3.996) 4.587 5.112 ( -4.348 1.891 -1.931) 5.119 5.141 ( 1.075 -3.349 2.960) 4.597 5.243 ( -1.567 -6.109 1.790) 6.555 5.325 ( 1.084 -2.672 3.017) 4.174 5.379 ( -6.479 -0.126 -3.100) 7.184 5.432 ( -4.224 -1.552 -3.056) 5.440 5.481 ( -0.933 2.203 3.064) 3.887 5.496 ( -2.665 1.120 0.567) 2.946 5.620 ( -1.087 -1.758 -6.173) 6.510 5.739 ( 4.174 1.558 -2.877) 5.304 5.780 ( -1.857 2.818 1.892) 3.869 5.819 ( 2.593 -3.600 1.610) 4.720 5.886 ( -0.893 -1.840 4.976) 5.380 5.962 ( 1.378 -0.513 0.726) 1.639 6.022 ( -4.549 -0.773 -0.575) 4.650 6.067 ( -3.601 -3.000 -0.894) 4.772 6.077 ( 5.825 4.457 -1.490) 7.485 6.149 ( 2.128 2.736 1.423) 3.747 6.254 ( -0.524 1.067 -3.300) 3.507 6.344 ( 2.192 0.398 4.959) 5.437 6.368 ( 3.823 -1.235 2.907) 4.959 6.430 ( 2.970 -4.292 -0.511) 5.244 6.471 ( 1.791 -2.367 3.947) 4.939 6.600 ( -0.884 -0.456 4.169) 4.286 6.678 ( -0.053 -4.687 1.539) 4.934 6.714 ( -1.364 -0.618 3.460) 3.770 6.804 ( 2.628 2.430 2.946) 4.636 6.937 ( -0.247 -4.956 -2.602) 5.603 6.965 ( -2.472 -4.879 1.721) 5.734 7.228 ( 0.948 -2.899 1.130) 3.252 7.314 ( -2.794 3.144 0.007) 4.206 7.393 ( -2.323 -2.406 3.337) 4.724 7.503 ( 1.199 2.819 -5.803) 6.562 7.542 ( -3.737 2.182 -4.087) 5.952 7.659 ( -4.176 -2.825 -2.186) 5.496 7.677 ( -0.048 -6.990 -0.786) 7.034 7.861 ( -1.126 -0.290 2.013) 2.325 7.905 ( 2.309 2.090 6.053) 6.807 8.069 ( 2.404 5.920 -7.369) 9.753 8.125 ( -4.860 1.946 4.602) 6.970 8.283 ( -4.867 -1.116 -1.735) 5.286 8.290 ( 0.223 -4.272 2.576) 4.993 8.440 ( -3.269 7.751 -1.991) 8.645 8.541 ( 1.035 4.807 2.361) 5.455 8.627 ( 0.121 7.889 -1.228) 7.985 8.710 ( -5.647 -2.925 0.341) 6.369 8.824 ( -2.316 -6.392 -5.488) 8.737 8.955 ( 1.184 1.738 1.256) 2.450 8.990 ( -1.011 2.454 1.672) 3.137 9.062 ( 3.477 -2.941 -1.875) 4.925 9.143 ( -2.577 6.282 -4.799) 8.314 9.244 ( 5.566 -1.263 2.034) 6.059 9.309 ( 0.950 0.710 0.106) 1.191 9.368 ( 1.488 1.813 2.457) 3.397 9.439 ( 2.590 -1.584 -3.592) 4.703 9.584 ( -3.204 -3.232 2.149) 5.033 9.717 ( -3.222 -1.451 -2.689) 4.440 9.758 ( -1.314 -7.400 -2.728) 7.995 9.874 ( 2.525 -0.446 -2.810) 3.804 9.976 ( -2.528 0.488 -1.639) 3.052 10.105 ( 2.877 0.335 -0.611) 2.961 10.192 ( 0.062 -3.806 -2.125) 4.359 10.289 ( 1.061 4.886 -2.472) 5.578 10.405 ( 0.320 1.926 0.478) 2.010 10.559 ( -3.654 -3.504 0.718) 5.113 10.696 ( -1.517 -5.817 -2.420) 6.480 10.755 ( 0.101 -6.395 1.817) 6.649 10.790 ( -2.689 -6.612 -2.982) 7.736 10.983 ( 0.307 3.786 -2.609) 4.608 11.018 ( -1.794 2.771 -1.273) 3.538 11.170 ( 1.276 4.654 3.965) 6.246 11.173 ( 1.379 5.358 0.350) 5.544 11.887 ( 0.572 0.087 -1.352) 1.470 11.900 ( -0.208 -2.534 0.565) 2.605 12.075 ( -2.642 5.088 2.150) 6.123 12.144 ( 5.049 0.043 4.646) 6.861 12.239 ( 1.437 -6.552 3.066) 7.375 12.275 ( -0.249 0.341 -0.775) 0.883 12.314 ( -0.986 -0.801 0.580) 1.397 12.368 ( 2.600 -1.343 -1.275) 3.192 12.466 ( -5.110 -2.419 8.959) 10.593 12.530 ( -2.508 -0.802 -2.206) 3.435 12.598 ( -1.069 0.297 4.545) 4.678 12.682 ( 2.904 3.120 0.061) 4.263 12.733 ( 0.255 -6.862 -2.452) 7.291 12.787 ( 0.102 1.060 -1.877) 2.158 13.002 ( -2.492 -3.177 1.186) 4.208 13.080 ( -1.621 -0.068 -0.434) 1.679 13.142 ( -1.205 -3.725 -2.339) 4.561 13.182 ( -1.339 2.095 -1.985) 3.182 13.269 ( 3.229 -2.510 -0.606) 4.134 13.415 ( 4.417 -1.359 1.751) 4.942 13.593 ( 2.625 3.901 -0.418) 4.721 13.713 ( 7.661 -0.278 -0.455) 7.679 13.739 ( -0.948 2.209 2.300) 3.327 13.815 ( -1.481 0.645 -3.936) 4.254 13.935 ( -6.570 1.245 -1.370) 6.826 14.009 ( -5.973 5.893 -3.060) 8.931 14.104 ( -6.135 -5.795 9.143) 12.442 14.310 ( -4.381 -2.173 0.280) 4.898 14.471 ( -1.529 1.618 -0.803) 2.366 14.635 ( 0.146 -0.986 0.193) 1.016 14.686 ( 3.195 8.049 4.141) 9.599 14.932 ( 1.631 -0.133 -2.507) 2.994 15.034 ( 0.086 9.630 -4.344) 10.564 15.230 ( 3.012 6.198 -1.710) 7.100 15.352 ( 0.675 0.854 3.459) 3.627 15.369 ( -1.068 -0.093 -2.918) 3.109 15.468 ( -1.616 4.368 0.422) 4.676 15.506 ( -1.649 4.698 -1.258) 5.136 15.701 ( 1.904 5.508 -0.871) 5.893 15.761 ( -2.687 3.625 0.446) 4.534 15.936 ( 1.494 -0.731 -2.883) 3.328 16.058 ( -1.006 -5.487 0.521) 5.603 16.307 ( 3.125 1.555 1.548) 3.818 16.416 ( 1.321 -1.210 0.610) 1.892 16.560 ( 1.599 -4.903 2.688) 5.816 16.869 ( 1.163 -6.876 -2.869) 7.541 16.889 ( 3.854 0.332 1.458) 4.134 16.997 ( 5.168 -5.559 -1.463) 7.730 19.136 ( 1.025 0.703 -0.431) 1.315 19.316 ( 1.001 3.955 -0.703) 4.140 19.380 ( -1.822 -6.301 1.824) 6.808 19.569 ( -1.834 -4.560 -1.845) 5.250 20.982 ( 0.426 3.193 0.688) 3.294 21.061 ( 1.879 1.118 -3.946) 4.511 21.119 ( -0.912 3.052 0.397) 3.210 21.197 ( -1.533 -0.615 -0.008) 1.652 24.974 ( 0.499 0.854 0.655) 1.187 25.010 ( 0.307 -0.383 1.409) 1.493 25.367 ( 1.370 -0.226 0.851) 1.629 25.479 ( 2.575 -4.886 3.956) 6.793 25.847 ( -0.195 3.503 -1.565) 3.842 25.911 ( -0.331 1.919 -1.613) 2.528 26.094 ( -0.598 1.363 1.196) 1.910 26.102 ( -0.322 0.810 1.398) 1.648 26.635 ( -0.652 2.045 -0.181) 2.154 26.832 ( -0.897 -5.294 4.081) 6.744 26.989 ( -1.136 -0.501 -0.547) 1.357 27.064 ( 4.079 -3.341 5.334) 7.500 27.178 ( 3.987 -0.641 -0.323) 4.051 27.215 ( 3.452 -1.111 -2.632) 4.481 27.308 ( 0.783 0.457 0.874) 1.259 27.370 ( -0.539 -1.258 -1.248) 1.852 27.529 ( -1.622 5.344 -0.049) 5.585 27.578 ( 6.625 6.016 2.875) 9.399 27.796 ( 0.607 0.478 -5.408) 5.463 27.877 ( 1.273 -0.235 2.982) 3.250 27.984 ( 1.103 5.270 2.809) 6.073 28.150 ( -4.900 1.500 -6.872) 8.573 28.232 ( 1.723 1.975 0.009) 2.621 28.267 ( -0.710 -4.199 1.824) 4.633 28.367 ( -0.528 -3.126 -0.621) 3.230 28.427 ( -5.250 -5.056 -1.856) 7.521 28.455 ( -4.068 0.365 -0.412) 4.106 28.598 ( -3.616 -4.327 -4.153) 7.003 28.776 ( -5.878 2.930 1.897) 6.836 28.885 ( -3.849 9.518 -1.820) 10.426 29.167 ( -3.576 -0.220 1.759) 3.991 29.619 ( 1.421 -3.199 -4.739) 5.891 29.832 ( -1.454 0.651 9.913) 10.040 29.909 ( -0.154 2.691 0.766) 2.803 30.019 ( -1.461 -2.093 1.793) 3.119 30.120 ( -1.292 -8.368 -9.203) 12.506 30.359 ( -1.219 5.803 -2.867) 6.586 30.829 ( 3.890 -9.357 2.933) 10.549 31.276 ( 7.711 4.908 3.324) 9.726 31.496 ( 1.367 -3.324 -1.221) 3.796 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 -1.490 0.000) 1.490 2.045 ( 0.000 4.591 0.000) 4.591 2.094 ( 0.000 13.421 0.000) 13.421 2.207 ( 0.000 -2.349 0.000) 2.349 2.246 ( -0.000 8.126 0.000) 8.126 2.413 ( 0.000 -2.303 0.000) 2.303 2.699 ( 0.000 -1.218 0.000) 1.218 2.899 ( 0.000 -10.689 0.000) 10.689 3.058 ( 0.000 3.724 -0.000) 3.724 3.145 ( -0.000 9.045 -0.000) 9.045 3.163 ( 0.000 -2.272 0.000) 2.272 3.344 ( 0.000 -8.006 0.000) 8.006 3.424 ( 0.000 -3.457 0.000) 3.457 3.513 ( 0.000 -6.526 0.000) 6.526 3.614 ( 0.000 0.811 0.000) 0.811 3.632 ( 0.000 9.953 0.000) 9.953 3.686 ( 0.000 4.936 0.000) 4.936 3.722 ( 0.000 12.531 0.000) 12.531 3.884 ( 0.000 -1.710 0.000) 1.710 3.926 ( 0.000 -1.467 -0.000) 1.467 4.023 ( 0.000 3.033 -0.000) 3.033 4.049 ( 0.000 -2.058 0.000) 2.058 4.206 ( 0.000 -4.059 0.000) 4.059 4.357 ( 0.000 -1.141 0.000) 1.141 4.400 ( 0.000 2.021 0.000) 2.021 4.446 ( 0.000 7.707 0.000) 7.707 4.507 ( 0.000 4.477 -0.000) 4.477 4.547 ( 0.000 -1.613 -0.000) 1.613 4.579 ( 0.000 -6.397 0.000) 6.397 4.656 ( 0.000 -4.461 0.000) 4.461 4.699 ( 0.000 -1.254 -0.000) 1.254 4.864 ( -0.000 1.965 0.000) 1.965 4.869 ( 0.000 2.832 -0.000) 2.832 4.895 ( 0.000 0.582 -0.000) 0.582 4.898 ( 0.000 -0.710 0.000) 0.710 5.018 ( -0.000 1.551 -0.000) 1.551 5.036 ( 0.000 6.580 0.000) 6.580 5.195 ( -0.000 7.174 0.000) 7.174 5.196 ( 0.000 -0.977 -0.000) 0.977 5.251 ( -0.000 -9.912 -0.000) 9.912 5.318 ( 0.000 -2.300 0.000) 2.300 5.394 ( 0.000 0.552 0.000) 0.552 5.471 ( 0.000 1.877 -0.000) 1.877 5.550 ( 0.000 5.482 0.000) 5.482 5.593 ( 0.000 -5.645 0.000) 5.645 5.732 ( 0.000 -0.111 0.000) 0.111 5.788 ( 0.000 4.582 -0.000) 4.582 5.889 ( 0.000 -8.569 0.000) 8.569 5.896 ( 0.000 1.743 0.000) 1.743 5.956 ( -0.000 -5.367 -0.000) 5.367 5.957 ( 0.000 -4.118 0.000) 4.118 6.032 ( 0.000 -1.952 0.000) 1.952 6.112 ( 0.000 6.038 0.000) 6.038 6.196 ( 0.000 2.041 -0.000) 2.041 6.221 ( 0.000 2.181 0.000) 2.181 6.372 ( 0.000 1.812 0.000) 1.812 6.452 ( -0.000 2.566 0.000) 2.566 6.474 ( 0.000 -6.648 -0.000) 6.648 6.504 ( 0.000 0.915 0.000) 0.915 6.649 ( 0.000 -4.097 0.000) 4.097 6.688 ( 0.000 -7.090 0.000) 7.090 6.719 ( 0.000 -0.545 0.000) 0.545 6.877 ( -0.000 -0.019 -0.000) 0.019 6.880 ( 0.000 -2.539 0.000) 2.539 6.974 ( 0.000 -5.390 0.000) 5.390 7.252 ( 0.000 -5.565 -0.000) 5.565 7.278 ( 0.000 2.713 -0.000) 2.713 7.369 ( 0.000 -4.543 0.000) 4.543 7.474 ( 0.000 0.040 0.000) 0.040 7.499 ( 0.000 6.026 -0.000) 6.026 7.610 ( 0.000 3.917 0.000) 3.917 7.669 ( 0.000 -8.120 0.000) 8.120 7.860 ( 0.000 -2.974 0.000) 2.974 7.968 ( 0.000 4.181 -0.000) 4.181 8.067 ( 0.000 1.657 -0.000) 1.657 8.072 ( -0.000 1.655 0.000) 1.655 8.243 ( 0.000 1.575 0.000) 1.575 8.332 ( 0.000 2.001 0.000) 2.001 8.394 ( 0.000 2.114 0.000) 2.114 8.550 ( 0.000 5.932 0.000) 5.932 8.630 ( 0.000 5.822 -0.000) 5.822 8.671 ( 0.000 -7.142 0.000) 7.142 8.728 ( 0.000 -1.923 0.000) 1.923 8.979 ( 0.000 4.779 0.000) 4.779 8.986 ( 0.000 2.334 0.000) 2.334 9.086 ( -0.000 -5.703 0.000) 5.703 9.089 ( 0.000 10.051 0.000) 10.051 9.310 ( 0.000 -0.497 0.000) 0.497 9.324 ( 0.000 -1.537 -0.000) 1.537 9.426 ( 0.000 -3.742 0.000) 3.742 9.435 ( 0.000 2.269 -0.000) 2.269 9.570 ( 0.000 0.039 0.000) 0.039 9.606 ( 0.000 -6.214 0.000) 6.214 9.746 ( 0.000 -6.938 0.000) 6.938 9.913 ( -0.000 3.337 -0.000) 3.337 9.920 ( 0.000 2.414 0.000) 2.414 10.155 ( -0.000 0.089 -0.000) 0.089 10.157 ( 0.000 -2.604 0.000) 2.604 10.289 ( 0.000 3.217 0.000) 3.217 10.408 ( 0.000 1.363 0.000) 1.363 10.526 ( 0.000 -3.446 0.000) 3.446 10.651 ( 0.000 -5.325 0.000) 5.325 10.738 ( 0.000 -8.321 0.000) 8.321 10.787 ( 0.000 -5.561 0.000) 5.561 10.977 ( 0.000 2.562 0.000) 2.562 10.993 ( 0.000 2.364 0.000) 2.364 11.190 ( 0.000 6.895 -0.000) 6.895 11.202 ( 0.000 6.226 0.000) 6.226 11.884 ( 0.000 -0.027 0.000) 0.027 11.915 ( 0.000 -3.825 0.000) 3.825 12.058 ( 0.000 5.636 0.000) 5.636 12.239 ( 0.000 0.796 0.000) 0.796 12.263 ( 0.000 -4.783 -0.000) 4.783 12.265 ( 0.000 -4.852 0.000) 4.852 12.299 ( 0.000 -2.761 0.000) 2.761 12.405 ( 0.000 0.911 -0.000) 0.911 12.429 ( -0.000 -6.292 0.000) 6.292 12.515 ( 0.000 3.937 -0.000) 3.937 12.614 ( 0.000 -6.315 0.000) 6.315 12.708 ( -0.000 -2.152 0.000) 2.152 12.718 ( 0.000 2.385 -0.000) 2.385 12.783 ( 0.000 -0.190 0.000) 0.190 12.973 ( 0.000 -5.019 -0.000) 5.019 13.069 ( 0.000 2.264 -0.000) 2.264 13.120 ( 0.000 -0.705 0.000) 0.705 13.159 ( 0.000 -2.740 0.000) 2.740 13.304 ( 0.000 -0.082 0.000) 0.082 13.464 ( 0.000 -2.780 0.000) 2.780 13.620 ( 0.000 7.485 0.000) 7.485 13.719 ( 0.000 2.440 0.000) 2.440 13.765 ( 0.000 1.678 0.000) 1.678 13.804 ( 0.000 -0.955 -0.000) 0.955 13.830 ( 0.000 4.796 0.000) 4.796 13.965 ( 0.000 5.281 0.000) 5.281 14.110 ( 0.000 -8.092 -0.000) 8.092 14.270 ( 0.000 -4.074 0.000) 4.074 14.446 ( 0.000 -0.423 0.000) 0.423 14.633 ( 0.000 0.674 0.000) 0.674 14.743 ( 0.000 7.544 -0.000) 7.544 14.933 ( 0.000 2.642 0.000) 2.642 15.014 ( 0.000 9.322 0.000) 9.322 15.262 ( 0.000 5.285 0.000) 5.285 15.330 ( 0.000 -1.930 0.000) 1.930 15.389 ( 0.000 -1.138 0.000) 1.138 15.469 ( 0.000 6.741 0.000) 6.741 15.470 ( -0.000 4.233 -0.000) 4.233 15.709 ( 0.000 6.647 0.000) 6.647 15.744 ( 0.000 2.994 0.000) 2.994 15.933 ( 0.000 -0.250 0.000) 0.250 16.050 ( 0.000 -5.300 0.000) 5.300 16.338 ( 0.000 -2.137 0.000) 2.137 16.438 ( 0.000 -0.295 0.000) 0.295 16.590 ( 0.000 -4.266 0.000) 4.266 16.860 ( 0.000 -5.161 0.000) 5.161 16.933 ( 0.000 -0.132 0.000) 0.132 17.033 ( 0.000 -5.969 0.000) 5.969 19.144 ( 0.000 0.939 0.000) 0.939 19.327 ( 0.000 3.976 0.000) 3.976 19.369 ( 0.000 -6.980 0.000) 6.980 19.541 ( 0.000 -4.240 0.000) 4.240 20.983 ( 0.000 2.469 0.000) 2.469 21.069 ( 0.000 0.285 -0.000) 0.285 21.101 ( 0.000 4.430 0.000) 4.430 21.186 ( 0.000 0.045 0.000) 0.045 24.982 ( 0.000 0.882 0.000) 0.882 25.019 ( 0.000 -0.406 0.000) 0.406 25.383 ( 0.000 0.060 0.000) 0.060 25.523 ( 0.000 -5.878 0.000) 5.878 25.837 ( 0.000 3.404 0.000) 3.404 25.901 ( 0.000 2.148 0.000) 2.148 26.094 ( 0.000 1.358 -0.000) 1.358 26.106 ( 0.000 0.741 0.000) 0.741 26.626 ( 0.000 2.993 0.000) 2.993 26.844 ( 0.000 -4.968 0.000) 4.968 26.976 ( 0.000 0.506 -0.000) 0.506 27.139 ( 0.000 -5.515 0.000) 5.515 27.213 ( 0.000 -1.562 -0.000) 1.562 27.225 ( 0.000 -1.055 -0.000) 1.055 27.310 ( 0.000 1.452 0.000) 1.452 27.366 ( 0.000 -1.624 0.000) 1.624 27.517 ( 0.000 4.620 0.000) 4.620 27.692 ( 0.000 -2.440 -0.000) 2.440 27.769 ( 0.000 12.898 0.000) 12.898 27.902 ( 0.000 3.287 0.000) 3.287 28.023 ( 0.000 -2.516 0.000) 2.516 28.038 ( 0.000 3.858 0.000) 3.858 28.226 ( 0.000 -7.888 0.000) 7.888 28.269 ( 0.000 2.552 -0.000) 2.552 28.344 ( 0.000 -4.166 0.000) 4.166 28.403 ( 0.000 -2.313 0.000) 2.313 28.404 ( -0.000 1.405 0.000) 1.405 28.546 ( 0.000 -3.719 0.000) 3.719 28.720 ( 0.000 4.260 0.000) 4.260 28.846 ( 0.000 10.883 0.000) 10.883 29.148 ( 0.000 -2.228 0.000) 2.228 29.607 ( 0.000 -6.485 0.000) 6.485 29.875 ( 0.000 0.199 0.000) 0.199 29.910 ( 0.000 2.663 0.000) 2.663 30.013 ( 0.000 -4.046 0.000) 4.046 30.054 ( 0.000 -6.445 0.000) 6.445 30.337 ( 0.000 8.981 -0.000) 8.981 30.881 ( 0.000 -10.002 0.000) 10.002 31.371 ( 0.000 3.471 0.000) 3.471 31.492 ( 0.000 -1.249 0.000) 1.249 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.000 -27.244 0.000) 27.244 1.340 ( 0.000 27.244 0.000) 27.244 1.800 ( 0.000 -31.678 0.000) 31.678 1.800 ( 0.000 31.678 0.000) 31.678 2.458 ( 0.000 -10.950 0.000) 10.950 2.458 ( 0.000 10.950 0.000) 10.950 2.787 ( 0.000 -17.873 0.000) 17.873 2.787 ( 0.000 17.873 0.000) 17.873 2.926 ( 0.000 -3.176 0.000) 3.176 2.926 ( 0.000 3.176 0.000) 3.176 3.229 ( 0.000 -13.218 0.000) 13.218 3.229 ( 0.000 13.218 0.000) 13.218 3.499 ( 0.000 -1.820 0.000) 1.820 3.499 ( 0.000 1.820 0.000) 1.820 3.675 ( 0.000 -1.232 0.000) 1.232 3.675 ( 0.000 1.232 0.000) 1.232 3.701 ( 0.000 -1.506 0.000) 1.506 3.701 ( 0.000 1.506 0.000) 1.506 3.851 ( 0.000 -3.059 0.000) 3.059 3.851 ( 0.000 3.059 0.000) 3.059 4.034 ( 0.000 -5.393 0.000) 5.393 4.034 ( 0.000 5.393 0.000) 5.393 4.112 ( 0.000 -2.933 0.000) 2.933 4.112 ( 0.000 2.933 0.000) 2.933 4.223 ( 0.000 -1.817 0.000) 1.817 4.223 ( 0.000 1.817 0.000) 1.817 4.339 ( 0.000 -5.858 0.000) 5.858 4.339 ( 0.000 5.858 0.000) 5.858 4.706 ( 0.000 -4.947 0.000) 4.947 4.706 ( 0.000 4.947 0.000) 4.947 4.898 ( 0.000 -1.611 0.000) 1.611 4.898 ( 0.000 1.611 0.000) 1.611 4.940 ( 0.000 -0.368 0.000) 0.368 4.940 ( 0.000 0.368 0.000) 0.368 5.038 ( 0.000 -13.046 0.000) 13.046 5.038 ( 0.000 13.046 0.000) 13.046 5.178 ( 0.000 -4.233 0.000) 4.233 5.178 ( 0.000 4.233 0.000) 4.233 5.284 ( 0.000 -3.855 0.000) 3.855 5.284 ( 0.000 3.855 0.000) 3.855 5.531 ( 0.000 -3.279 0.000) 3.279 5.531 ( 0.000 3.279 0.000) 3.279 5.622 ( 0.000 -1.490 0.000) 1.490 5.622 ( 0.000 1.490 0.000) 1.490 5.757 ( 0.000 -0.976 0.000) 0.976 5.757 ( 0.000 0.976 0.000) 0.976 5.838 ( 0.000 -6.295 0.000) 6.295 5.838 ( 0.000 6.295 0.000) 6.295 5.976 ( 0.000 -1.416 0.000) 1.416 5.976 ( 0.000 1.416 0.000) 1.416 6.136 ( 0.000 -0.607 0.000) 0.607 6.136 ( 0.000 0.607 0.000) 0.607 6.201 ( 0.000 -2.636 0.000) 2.636 6.201 ( 0.000 2.636 0.000) 2.636 6.297 ( 0.000 -5.882 0.000) 5.882 6.297 ( 0.000 5.882 0.000) 5.882 6.400 ( 0.000 -0.209 0.000) 0.209 6.400 ( 0.000 0.209 0.000) 0.209 6.501 ( 0.000 -4.891 0.000) 4.891 6.501 ( 0.000 4.891 0.000) 4.891 6.743 ( 0.000 -4.295 0.000) 4.295 6.743 ( 0.000 4.295 0.000) 4.295 6.915 ( 0.000 -4.544 0.000) 4.544 6.915 ( 0.000 4.544 0.000) 4.544 7.149 ( 0.000 -5.134 0.000) 5.134 7.149 ( 0.000 5.134 0.000) 5.134 7.326 ( 0.000 -6.097 0.000) 6.097 7.326 ( 0.000 6.097 0.000) 6.097 7.469 ( 0.000 -0.735 0.000) 0.735 7.469 ( 0.000 0.735 0.000) 0.735 7.810 ( 0.000 -1.576 0.000) 1.576 7.810 ( 0.000 1.576 0.000) 1.576 7.980 ( 0.000 -4.479 0.000) 4.479 7.980 ( 0.000 4.479 0.000) 4.479 8.114 ( 0.000 -0.858 0.000) 0.858 8.114 ( 0.000 0.858 0.000) 0.858 8.409 ( 0.000 -4.936 0.000) 4.936 8.409 ( 0.000 4.936 0.000) 4.936 8.660 ( 0.000 -5.508 0.000) 5.508 8.660 ( 0.000 5.508 0.000) 5.508 8.748 ( 0.000 -4.802 0.000) 4.802 8.748 ( 0.000 4.802 0.000) 4.802 8.953 ( 0.000 -1.073 0.000) 1.073 8.953 ( 0.000 1.073 0.000) 1.073 9.007 ( 0.000 -3.894 0.000) 3.894 9.007 ( 0.000 3.894 0.000) 3.894 9.143 ( 0.000 -5.584 0.000) 5.584 9.143 ( 0.000 5.584 0.000) 5.584 9.264 ( 0.000 -2.351 0.000) 2.351 9.264 ( 0.000 2.351 0.000) 2.351 9.465 ( 0.000 -9.675 0.000) 9.675 9.465 ( 0.000 9.675 0.000) 9.675 9.563 ( 0.000 -8.744 0.000) 8.744 9.563 ( 0.000 8.744 0.000) 8.744 9.930 ( 0.000 -5.302 0.000) 5.302 9.930 ( 0.000 5.302 0.000) 5.302 10.110 ( 0.000 -2.029 0.000) 2.029 10.110 ( 0.000 2.029 0.000) 2.029 10.278 ( 0.000 -2.799 0.000) 2.799 10.278 ( 0.000 2.799 0.000) 2.799 10.587 ( 0.000 -4.319 0.000) 4.319 10.587 ( 0.000 4.319 0.000) 4.319 10.720 ( 0.000 -3.995 0.000) 3.995 10.720 ( 0.000 3.995 0.000) 3.995 10.990 ( 0.000 -5.519 0.000) 5.519 10.990 ( 0.000 5.519 0.000) 5.519 11.319 ( 0.000 -1.123 0.000) 1.123 11.319 ( 0.000 1.123 0.000) 1.123 11.865 ( 0.000 -4.177 0.000) 4.177 11.865 ( 0.000 4.177 0.000) 4.177 12.070 ( 0.000 -5.422 0.000) 5.422 12.070 ( 0.000 5.422 0.000) 5.422 12.264 ( 0.000 -0.896 0.000) 0.896 12.264 ( 0.000 0.896 0.000) 0.896 12.323 ( 0.000 -7.186 0.000) 7.186 12.323 ( 0.000 7.186 0.000) 7.186 12.542 ( 0.000 -4.970 0.000) 4.970 12.542 ( 0.000 4.970 0.000) 4.970 12.646 ( 0.000 -5.285 0.000) 5.285 12.646 ( 0.000 5.285 0.000) 5.285 12.910 ( 0.000 -3.998 0.000) 3.998 12.910 ( 0.000 3.998 0.000) 3.998 13.070 ( 0.000 -7.396 0.000) 7.396 13.070 ( 0.000 7.396 0.000) 7.396 13.116 ( 0.000 -8.399 0.000) 8.399 13.116 ( 0.000 8.399 0.000) 8.399 13.237 ( 0.000 -1.055 0.000) 1.055 13.237 ( 0.000 1.055 0.000) 1.055 13.524 ( 0.000 -8.557 0.000) 8.557 13.524 ( 0.000 8.557 0.000) 8.557 13.815 ( 0.000 -1.300 0.000) 1.300 13.815 ( 0.000 1.300 0.000) 1.300 13.969 ( 0.000 -6.725 0.000) 6.725 13.969 ( 0.000 6.725 0.000) 6.725 14.508 ( 0.000 -7.409 0.000) 7.409 14.508 ( 0.000 7.409 0.000) 7.409 14.616 ( 0.000 -9.909 0.000) 9.909 14.616 ( 0.000 9.909 0.000) 9.909 14.851 ( 0.000 -5.881 0.000) 5.881 14.851 ( 0.000 5.881 0.000) 5.881 15.324 ( 0.000 -3.914 0.000) 3.914 15.324 ( 0.000 3.914 0.000) 3.914 15.441 ( 0.000 -0.368 0.000) 0.368 15.441 ( 0.000 0.368 0.000) 0.368 15.715 ( 0.000 -6.799 0.000) 6.799 15.715 ( 0.000 6.799 0.000) 6.799 15.758 ( 0.000 -12.864 0.000) 12.864 15.758 ( 0.000 12.864 0.000) 12.864 15.962 ( 0.000 -0.980 0.000) 0.980 15.962 ( 0.000 0.980 0.000) 0.980 16.193 ( 0.000 -6.515 0.000) 6.515 16.193 ( 0.000 6.515 0.000) 6.515 16.575 ( 0.000 -2.050 0.000) 2.050 16.575 ( 0.000 2.050 0.000) 2.050 16.819 ( 0.000 -2.524 0.000) 2.524 16.819 ( 0.000 2.524 0.000) 2.524 19.224 ( 0.000 -7.436 0.000) 7.436 19.224 ( 0.000 7.436 0.000) 7.436 19.517 ( 0.000 -10.114 0.000) 10.114 19.517 ( 0.000 10.114 0.000) 10.114 21.018 ( 0.000 -5.280 0.000) 5.280 21.018 ( 0.000 5.280 0.000) 5.280 21.118 ( 0.000 -2.902 0.000) 2.902 21.118 ( 0.000 2.902 0.000) 2.902 24.932 ( 0.000 -1.020 0.000) 1.020 24.932 ( 0.000 1.020 0.000) 1.020 25.247 ( 0.000 -1.656 0.000) 1.656 25.247 ( 0.000 1.656 0.000) 1.656 26.005 ( 0.000 -0.793 0.000) 0.793 26.005 ( 0.000 0.793 0.000) 0.793 26.106 ( 0.000 -2.395 0.000) 2.395 26.106 ( 0.000 2.395 0.000) 2.395 26.474 ( 0.000 -5.079 0.000) 5.079 26.474 ( 0.000 5.079 0.000) 5.079 27.010 ( 0.000 -2.411 0.000) 2.411 27.010 ( 0.000 2.411 0.000) 2.411 27.062 ( 0.000 -0.372 0.000) 0.372 27.062 ( 0.000 0.372 0.000) 0.372 27.365 ( 0.000 -4.504 0.000) 4.504 27.365 ( 0.000 4.504 0.000) 4.504 27.527 ( 0.000 -3.469 0.000) 3.469 27.527 ( 0.000 3.469 0.000) 3.469 27.887 ( 0.000 -1.598 0.000) 1.598 27.887 ( 0.000 1.598 0.000) 1.598 28.198 ( 0.000 -3.866 0.000) 3.866 28.198 ( 0.000 3.866 0.000) 3.866 28.203 ( 0.000 -2.196 0.000) 2.196 28.203 ( 0.000 2.196 0.000) 2.196 28.376 ( 0.000 -0.825 0.000) 0.825 28.376 ( 0.000 0.825 0.000) 0.825 28.747 ( 0.000 -4.672 0.000) 4.672 28.747 ( 0.000 4.672 0.000) 4.672 29.208 ( 0.000 -9.994 0.000) 9.994 29.208 ( 0.000 9.994 0.000) 9.994 29.475 ( 0.000 -2.736 0.000) 2.736 29.475 ( 0.000 2.736 0.000) 2.736 29.764 ( 0.000 -1.231 0.000) 1.231 29.764 ( 0.000 1.231 0.000) 1.231 30.029 ( 0.000 -3.524 0.000) 3.524 30.029 ( 0.000 3.524 0.000) 3.524 30.603 ( 0.000 -2.266 0.000) 2.266 30.603 ( 0.000 2.266 0.000) 2.266 31.023 ( 0.000 -6.587 0.000) 6.587 31.023 ( 0.000 6.587 0.000) 6.587 ======================= Grid point 20 (12/63) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 18.833 -10.771 18.192) 28.313 1.734 ( 18.833 10.771 18.192) 28.313 1.933 ( 11.228 -22.562 12.546) 28.151 1.933 ( 11.228 22.562 12.546) 28.151 2.529 ( 5.432 -6.453 6.932) 10.918 2.529 ( 5.432 6.453 6.932) 10.918 2.843 ( 5.590 -13.403 0.554) 14.533 2.843 ( 5.590 13.403 0.554) 14.533 2.945 ( 3.338 -3.819 -2.383) 5.605 2.945 ( 3.338 3.819 -2.383) 5.605 3.336 ( -0.627 -5.055 2.677) 5.754 3.336 ( -0.627 5.055 2.677) 5.754 3.407 ( 2.758 -4.098 -7.087) 8.638 3.407 ( 2.758 4.098 -7.087) 8.638 3.611 ( -5.165 -3.169 -3.990) 7.256 3.611 ( -5.165 3.169 -3.990) 7.256 3.709 ( 2.404 -2.900 -1.215) 3.958 3.709 ( 2.404 2.900 -1.215) 3.958 3.910 ( 3.470 -4.043 3.873) 6.587 3.910 ( 3.470 4.043 3.873) 6.587 4.018 ( 3.179 -2.437 -4.467) 6.000 4.018 ( 3.179 2.437 -4.467) 6.000 4.181 ( -2.988 -8.736 11.407) 14.675 4.181 ( -2.988 8.736 11.407) 14.675 4.244 ( 2.479 -4.937 0.335) 5.535 4.244 ( 2.479 4.937 0.335) 5.535 4.320 ( -0.375 -5.514 0.517) 5.551 4.320 ( -0.375 5.514 0.517) 5.551 4.671 ( -2.866 -2.269 -5.011) 6.203 4.671 ( -2.866 2.269 -5.011) 6.203 4.831 ( -4.262 -5.640 -5.030) 8.676 4.831 ( -4.262 5.640 -5.030) 8.676 4.904 ( -3.465 -0.137 -0.603) 3.520 4.904 ( -3.465 0.137 -0.603) 3.520 4.969 ( -1.893 -4.569 1.938) 5.312 4.969 ( -1.893 4.569 1.938) 5.312 5.186 ( -1.716 -2.770 0.851) 3.368 5.186 ( -1.716 2.770 0.851) 3.368 5.316 ( -0.856 -5.173 0.384) 5.257 5.316 ( -0.856 5.173 0.384) 5.257 5.520 ( 0.843 -5.728 -4.235) 7.173 5.520 ( 0.843 5.728 -4.235) 7.173 5.586 ( -2.007 -9.833 1.899) 10.214 5.586 ( -2.007 9.833 1.899) 10.214 5.719 ( -2.215 -2.956 -2.822) 4.648 5.719 ( -2.215 2.956 -2.822) 4.648 5.863 ( -0.210 -3.220 1.812) 3.701 5.863 ( -0.210 3.220 1.812) 3.701 5.931 ( -1.926 -2.136 -2.947) 4.118 5.931 ( -1.926 2.136 -2.947) 4.118 6.092 ( -3.634 -5.925 1.668) 7.147 6.092 ( -3.634 5.925 1.668) 7.147 6.220 ( -2.467 -2.843 -6.242) 7.289 6.220 ( -2.467 2.843 -6.242) 7.289 6.255 ( 1.503 -3.315 0.120) 3.642 6.255 ( 1.503 3.315 0.120) 3.642 6.390 ( -0.906 -4.591 1.520) 4.920 6.390 ( -0.906 4.591 1.520) 4.920 6.462 ( 0.578 -1.867 -7.669) 7.915 6.462 ( 0.578 1.867 -7.669) 7.915 6.708 ( -3.669 -1.664 0.927) 4.134 6.708 ( -3.669 1.664 0.927) 4.134 6.896 ( -0.708 -3.009 -1.392) 3.390 6.896 ( -0.708 3.009 -1.392) 3.390 7.136 ( -3.524 -6.571 0.669) 7.486 7.136 ( -3.524 6.571 0.669) 7.486 7.326 ( -0.212 -2.253 3.998) 4.594 7.326 ( -0.212 2.253 3.998) 4.594 7.505 ( 1.589 -1.580 1.574) 2.738 7.505 ( 1.589 1.580 1.574) 2.738 7.816 ( 0.828 -1.623 -0.266) 1.841 7.816 ( 0.828 1.623 -0.266) 1.841 7.968 ( -2.224 -3.963 -1.759) 4.873 7.968 ( -2.224 3.963 -1.759) 4.873 8.086 ( -2.076 -3.617 -0.442) 4.194 8.086 ( -2.076 3.617 -0.442) 4.194 8.417 ( 2.657 -5.751 -3.537) 7.256 8.417 ( 2.657 5.751 -3.537) 7.256 8.639 ( -1.560 -1.026 0.010) 1.867 8.639 ( -1.560 1.026 0.010) 1.867 8.755 ( -7.539 -5.083 2.816) 9.519 8.755 ( -7.539 5.083 2.816) 9.519 8.816 ( -0.008 -4.892 -0.277) 4.900 8.816 ( -0.008 4.892 -0.277) 4.900 9.049 ( -1.621 -2.427 2.897) 4.112 9.049 ( -1.621 2.427 2.897) 4.112 9.198 ( 5.112 -8.645 -4.755) 11.113 9.198 ( 5.112 8.645 -4.755) 11.113 9.275 ( 1.609 -1.337 0.097) 2.094 9.275 ( 1.609 1.337 0.097) 2.094 9.478 ( -0.146 -5.539 2.333) 6.012 9.478 ( -0.146 5.539 2.333) 6.012 9.626 ( 3.501 -7.430 3.943) 9.111 9.626 ( 3.501 7.430 3.943) 9.111 9.907 ( -0.213 -5.667 -1.822) 5.957 9.907 ( -0.213 5.667 -1.822) 5.957 10.121 ( 0.581 -2.008 0.226) 2.102 10.121 ( 0.581 2.008 0.226) 2.102 10.329 ( 4.133 -2.057 0.214) 4.622 10.329 ( 4.133 2.057 0.214) 4.622 10.597 ( -0.738 -4.355 2.556) 5.104 10.597 ( -0.738 4.355 2.556) 5.104 10.727 ( 0.476 -4.367 0.393) 4.410 10.727 ( 0.476 4.367 0.393) 4.410 11.023 ( 1.915 -3.906 3.061) 5.319 11.023 ( 1.915 3.906 3.061) 5.319 11.257 ( -3.039 -2.555 -5.725) 6.967 11.257 ( -3.039 2.555 -5.725) 6.967 11.884 ( 0.824 -5.048 2.177) 5.559 11.884 ( 0.824 5.048 2.177) 5.559 12.064 ( 0.096 -5.274 -2.314) 5.760 12.064 ( 0.096 5.274 -2.314) 5.760 12.236 ( -1.760 -0.951 0.863) 2.179 12.236 ( -1.760 0.951 0.863) 2.179 12.358 ( -0.679 -7.697 5.604) 9.545 12.358 ( -0.679 7.697 5.604) 9.545 12.533 ( -2.508 -3.814 -0.023) 4.565 12.533 ( -2.508 3.814 -0.023) 4.565 12.627 ( -0.521 -4.350 -0.791) 4.452 12.627 ( -0.521 4.350 -0.791) 4.452 12.889 ( -0.858 -6.782 -2.776) 7.378 12.889 ( -0.858 6.782 -2.776) 7.378 13.058 ( 2.241 -4.229 -0.562) 4.819 13.058 ( 2.241 4.229 -0.562) 4.819 13.154 ( -0.875 -2.581 -1.089) 2.935 13.154 ( -0.875 2.581 -1.089) 2.935 13.282 ( 2.393 -3.130 3.944) 5.575 13.282 ( 2.393 3.130 3.944) 5.575 13.414 ( -5.270 -3.610 -0.759) 6.433 13.414 ( -5.270 3.610 -0.759) 6.433 13.832 ( -1.862 -4.684 4.150) 6.529 13.832 ( -1.862 4.684 4.150) 6.529 14.013 ( 1.325 -6.751 2.950) 7.486 14.013 ( 1.325 6.751 2.950) 7.486 14.479 ( -2.187 -4.505 -2.249) 5.490 14.479 ( -2.187 4.505 -2.249) 5.490 14.598 ( -1.871 -6.676 -0.132) 6.935 14.598 ( -1.871 6.676 -0.132) 6.935 14.825 ( -0.325 -6.185 -3.563) 7.145 14.825 ( -0.325 6.185 -3.563) 7.145 15.283 ( -2.136 -2.128 -2.624) 3.997 15.283 ( -2.136 2.128 -2.624) 3.997 15.443 ( -0.782 -4.478 1.355) 4.743 15.443 ( -0.782 4.478 1.355) 4.743 15.652 ( -4.894 -3.162 0.044) 5.827 15.652 ( -4.894 3.162 0.044) 5.827 15.783 ( 3.526 -10.600 -3.038) 11.577 15.783 ( 3.526 10.600 -3.038) 11.577 15.970 ( 0.062 -0.836 -0.491) 0.972 15.970 ( 0.062 0.836 -0.491) 0.972 16.227 ( 3.411 -6.013 0.920) 6.974 16.227 ( 3.411 6.013 0.920) 6.974 16.608 ( 2.254 -6.870 -0.161) 7.232 16.608 ( 2.254 6.870 -0.161) 7.232 16.780 ( 0.314 -2.928 -3.689) 4.721 16.780 ( 0.314 2.928 -3.689) 4.721 19.203 ( -0.435 -6.203 -1.456) 6.386 19.203 ( -0.435 6.203 -1.456) 6.386 19.513 ( -0.305 -8.344 -1.053) 8.415 19.513 ( -0.305 8.344 -1.053) 8.415 21.039 ( 0.925 -5.469 1.125) 5.659 21.039 ( 0.925 5.469 1.125) 5.659 21.140 ( 2.615 -3.557 -0.849) 4.495 21.140 ( 2.615 3.557 -0.849) 4.495 24.943 ( 0.306 -0.358 1.666) 1.731 24.943 ( 0.306 0.358 1.666) 1.731 25.270 ( 2.038 -1.214 0.928) 2.547 25.270 ( 2.038 1.214 0.928) 2.547 25.994 ( -0.377 -1.068 -2.645) 2.878 25.994 ( -0.377 1.068 -2.645) 2.878 26.088 ( -1.340 -0.901 1.610) 2.280 26.088 ( -1.340 0.901 1.610) 2.280 26.555 ( 4.053 -2.989 5.547) 7.492 26.555 ( 4.053 2.989 5.547) 7.492 27.000 ( -1.801 -3.066 0.832) 3.652 27.000 ( -1.801 3.066 0.832) 3.652 27.074 ( 3.093 -1.359 -2.434) 4.164 27.074 ( 3.093 1.359 -2.434) 4.164 27.351 ( 0.063 -4.310 -2.255) 4.864 27.351 ( 0.063 4.310 -2.255) 4.864 27.561 ( 2.353 -5.011 2.304) 5.996 27.561 ( 2.353 5.011 2.304) 5.996 27.828 ( -2.572 -5.037 -4.255) 7.077 27.828 ( -2.572 5.037 -4.255) 7.077 28.174 ( -1.958 -4.865 -0.877) 5.317 28.174 ( -1.958 4.865 -0.877) 5.317 28.218 ( 1.242 -3.091 0.494) 3.368 28.218 ( 1.242 3.091 0.494) 3.368 28.399 ( 0.863 -3.633 1.682) 4.095 28.399 ( 0.863 3.633 1.682) 4.095 28.709 ( -4.042 -4.019 -0.220) 5.704 28.709 ( -4.042 4.019 -0.220) 5.704 29.073 ( -9.885 -7.718 0.200) 12.543 29.073 ( -9.885 7.718 0.200) 12.543 29.566 ( 2.680 -6.402 -1.585) 7.119 29.566 ( 2.680 6.402 -1.585) 7.119 29.800 ( 1.130 -5.748 6.803) 8.978 29.800 ( 1.130 5.748 6.803) 8.978 30.037 ( 2.019 -2.702 -2.419) 4.151 30.037 ( 2.019 2.702 -2.419) 4.151 30.564 ( -3.519 -4.388 0.235) 5.630 30.564 ( -3.519 4.388 0.235) 5.630 31.101 ( 8.379 -9.227 -0.312) 12.468 31.101 ( 8.379 9.227 -0.312) 12.468 ======================= Grid point 22 (13/63) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 6.615 -21.106 8.069) 23.544 2.029 ( 6.615 21.106 8.069) 23.544 2.289 ( 9.059 -7.953 3.508) 12.555 2.289 ( 9.059 7.953 3.508) 12.555 2.763 ( 0.749 -2.560 9.652) 10.013 2.763 ( 0.749 2.560 9.652) 10.013 2.911 ( -0.499 -3.481 -3.769) 5.155 2.911 ( -0.499 3.481 -3.769) 5.155 2.985 ( 5.991 -6.637 -5.649) 10.576 2.985 ( 5.991 6.637 -5.649) 10.576 3.179 ( 4.548 -3.094 -11.865) 13.078 3.179 ( 4.548 3.094 -11.865) 13.078 3.324 ( -6.239 -6.317 -5.814) 10.613 3.324 ( -6.239 6.317 -5.814) 10.613 3.648 ( 1.123 -4.781 8.532) 9.845 3.648 ( 1.123 4.781 8.532) 9.845 3.790 ( 7.141 -6.167 -1.124) 9.502 3.790 ( 7.141 6.167 -1.124) 9.502 3.933 ( 2.964 -1.561 -8.007) 8.679 3.933 ( 2.964 1.561 -8.007) 8.679 4.054 ( -4.384 -4.196 5.696) 8.324 4.054 ( -4.384 4.196 5.696) 8.324 4.213 ( 3.073 -5.540 1.904) 6.615 4.213 ( 3.073 5.540 1.904) 6.615 4.296 ( 1.576 -6.727 3.897) 7.933 4.296 ( 1.576 6.727 3.897) 7.933 4.386 ( 4.174 -4.203 -0.206) 5.927 4.386 ( 4.174 4.203 -0.206) 5.927 4.561 ( -1.195 -8.593 1.056) 8.740 4.561 ( -1.195 8.593 1.056) 8.740 4.695 ( -5.014 -8.252 -0.374) 9.663 4.695 ( -5.014 8.252 -0.374) 9.663 4.887 ( -0.615 -4.351 -0.228) 4.400 4.887 ( -0.615 4.351 -0.228) 4.400 5.039 ( 1.566 -2.525 5.903) 6.609 5.039 ( 1.566 2.525 5.903) 6.609 5.146 ( -1.757 -2.313 0.385) 2.930 5.146 ( -1.757 2.313 0.385) 2.930 5.215 ( -7.687 -7.421 1.076) 10.739 5.215 ( -7.687 7.421 1.076) 10.739 5.465 ( -3.459 -4.297 -1.300) 5.667 5.465 ( -3.459 4.297 -1.300) 5.667 5.604 ( -0.095 -9.421 -0.337) 9.427 5.604 ( -0.095 9.421 -0.337) 9.427 5.669 ( 1.448 -2.945 -5.881) 6.734 5.669 ( 1.448 2.945 -5.881) 6.734 5.792 ( -4.097 -2.711 -1.587) 5.163 5.792 ( -4.097 2.711 -1.587) 5.163 5.923 ( -2.855 -0.946 2.867) 4.156 5.923 ( -2.855 0.946 2.867) 4.156 6.067 ( 0.587 -2.482 2.345) 3.465 6.067 ( 0.587 2.482 2.345) 3.465 6.151 ( -1.618 -4.695 0.378) 4.980 6.151 ( -1.618 4.695 0.378) 4.980 6.252 ( -0.535 -1.490 -0.528) 1.669 6.252 ( -0.535 1.490 -0.528) 1.669 6.392 ( 2.875 -2.852 -10.630) 11.375 6.392 ( 2.875 2.852 -10.630) 11.375 6.416 ( 1.756 -7.366 1.096) 7.651 6.416 ( 1.756 7.366 1.096) 7.651 6.679 ( -1.302 -2.950 2.513) 4.088 6.679 ( -1.302 2.950 2.513) 4.088 6.867 ( -1.406 -3.392 -0.303) 3.684 6.867 ( -1.406 3.392 -0.303) 3.684 7.073 ( -4.833 -8.665 3.034) 10.375 7.073 ( -4.833 8.665 3.034) 10.375 7.372 ( -0.783 -0.420 4.483) 4.570 7.372 ( -0.783 0.420 4.483) 4.570 7.537 ( 1.073 -2.295 0.094) 2.535 7.537 ( 1.073 2.295 0.094) 2.535 7.776 ( -3.805 -2.637 -10.506) 11.481 7.776 ( -3.805 2.637 -10.506) 11.481 7.877 ( -4.107 -2.487 6.228) 7.863 7.877 ( -4.107 2.487 6.228) 7.863 8.091 ( 1.048 -2.569 2.311) 3.611 8.091 ( 1.048 2.569 2.311) 3.611 8.379 ( -4.089 -5.744 -4.055) 8.134 8.379 ( -4.089 5.744 -4.055) 8.134 8.621 ( 0.826 -5.234 -1.219) 5.438 8.621 ( 0.826 5.234 -1.219) 5.438 8.670 ( -2.537 -4.943 1.985) 5.900 8.670 ( -2.537 4.943 1.985) 5.900 8.870 ( 1.856 -5.092 0.186) 5.423 8.870 ( 1.856 5.092 0.186) 5.423 9.024 ( -2.130 -2.626 -0.235) 3.389 9.024 ( -2.130 2.626 -0.235) 3.389 9.218 ( 2.581 -3.491 -1.597) 4.626 9.218 ( 2.581 3.491 -1.597) 4.626 9.307 ( 2.339 -3.653 -1.194) 4.499 9.307 ( 2.339 3.653 -1.194) 4.499 9.499 ( 0.212 -2.731 1.286) 3.026 9.499 ( 0.212 2.731 1.286) 3.026 9.699 ( 1.139 -4.828 0.019) 4.961 9.699 ( 1.139 4.828 0.019) 4.961 9.907 ( 1.541 -6.405 -0.488) 6.605 9.907 ( 1.541 6.405 -0.488) 6.605 10.119 ( 0.007 -2.804 -1.134) 3.025 10.119 ( 0.007 2.804 -1.134) 3.025 10.384 ( 2.792 -2.115 -1.672) 3.881 10.384 ( 2.792 2.115 -1.672) 3.881 10.599 ( -2.878 -4.762 3.897) 6.793 10.599 ( -2.878 4.762 3.897) 6.793 10.725 ( -0.081 -5.256 -2.944) 6.025 10.725 ( -0.081 5.256 -2.944) 6.025 11.085 ( -0.142 -2.864 0.590) 2.928 11.085 ( -0.142 2.864 0.590) 2.928 11.167 ( 0.268 -2.236 -0.081) 2.254 11.167 ( 0.268 2.236 -0.081) 2.254 11.910 ( 0.435 -2.814 -1.616) 3.274 11.910 ( 0.435 2.814 -1.616) 3.274 12.045 ( -0.137 -2.595 2.238) 3.429 12.045 ( -0.137 2.595 2.238) 3.429 12.245 ( 0.905 -3.042 1.204) 3.394 12.245 ( 0.905 3.042 1.204) 3.394 12.366 ( -5.839 -4.164 5.124) 8.814 12.366 ( -5.839 4.164 5.124) 8.814 12.479 ( -1.651 -4.558 0.173) 4.851 12.479 ( -1.651 4.558 0.173) 4.851 12.625 ( 0.513 -1.725 0.308) 1.825 12.625 ( 0.513 1.725 0.308) 1.825 12.835 ( -2.925 -7.356 -2.207) 8.218 12.835 ( -2.925 7.356 -2.207) 8.218 13.036 ( -2.827 -7.443 -2.708) 8.409 13.036 ( -2.827 7.443 -2.708) 8.409 13.167 ( 3.722 -1.736 -1.771) 4.473 13.167 ( 3.722 1.736 -1.771) 4.473 13.258 ( -2.347 -0.114 3.311) 4.060 13.258 ( -2.347 0.114 3.311) 4.060 13.515 ( 10.041 -0.767 0.936) 10.113 13.515 ( 10.041 0.767 0.936) 10.113 13.830 ( -3.247 -5.192 4.761) 7.757 13.830 ( -3.247 5.192 4.761) 7.757 14.022 ( -4.437 -6.105 3.797) 8.448 14.022 ( -4.437 6.105 3.797) 8.448 14.359 ( -7.093 -4.315 -5.377) 9.891 14.359 ( -7.093 4.315 -5.377) 9.891 14.581 ( -2.110 -0.707 3.014) 3.746 14.581 ( -2.110 0.707 3.014) 3.746 14.802 ( 3.108 -7.395 -3.989) 8.959 14.802 ( 3.108 7.395 -3.989) 8.959 15.238 ( 0.046 -2.854 -1.991) 3.480 15.238 ( 0.046 2.854 -1.991) 3.480 15.428 ( -2.403 -4.971 0.688) 5.564 15.428 ( -2.403 4.971 0.688) 5.564 15.578 ( -3.151 -0.623 0.012) 3.212 15.578 ( -3.151 0.623 0.012) 3.212 15.825 ( 4.181 -7.442 -2.230) 8.822 15.825 ( 4.181 7.442 -2.230) 8.822 15.942 ( -1.743 -4.149 -1.423) 4.720 15.942 ( -1.743 4.149 -1.423) 4.720 16.301 ( 4.365 -4.190 -1.513) 6.237 16.301 ( 4.365 4.190 -1.513) 6.237 16.614 ( 0.069 -11.600 0.679) 11.620 16.614 ( 0.069 11.600 0.679) 11.620 16.822 ( 5.749 -1.519 -0.997) 6.029 16.822 ( 5.749 1.519 -0.997) 6.029 19.199 ( 0.816 -6.218 -0.194) 6.274 19.199 ( 0.816 6.218 -0.194) 6.274 19.482 ( -1.820 -6.933 -0.946) 7.230 19.482 ( -1.820 6.933 -0.946) 7.230 21.056 ( 1.044 -4.084 -1.089) 4.354 21.056 ( 1.044 4.084 -1.089) 4.354 21.168 ( 1.173 -3.540 -0.579) 3.774 21.168 ( 1.173 3.540 -0.579) 3.774 24.971 ( 0.589 -0.608 2.020) 2.190 24.971 ( 0.589 0.608 2.020) 2.190 25.328 ( 2.882 -1.268 1.679) 3.568 25.328 ( 2.882 1.268 1.679) 3.568 25.949 ( -0.899 -1.716 -2.979) 3.554 25.949 ( -0.899 1.716 -2.979) 3.554 26.101 ( -0.411 -0.176 2.690) 2.727 26.101 ( -0.411 0.176 2.690) 2.727 26.664 ( 1.633 -3.417 5.216) 6.446 26.664 ( 1.633 3.417 5.216) 6.446 26.980 ( -0.897 -2.176 1.106) 2.600 26.980 ( -0.897 2.176 1.106) 2.600 27.124 ( 4.965 -1.860 -1.836) 5.611 27.124 ( 4.965 1.860 -1.836) 5.611 27.335 ( 1.021 -3.302 -2.531) 4.284 27.335 ( 1.021 3.302 -2.531) 4.284 27.625 ( 0.711 -5.528 2.234) 6.004 27.625 ( 0.711 5.528 2.234) 6.004 27.773 ( 1.390 -5.747 -1.740) 6.163 27.773 ( 1.390 5.747 -1.740) 6.163 28.133 ( -1.715 -6.666 -0.294) 6.890 28.133 ( -1.715 6.666 -0.294) 6.890 28.250 ( 1.885 -3.188 0.298) 3.715 28.250 ( 1.885 3.188 0.298) 3.715 28.407 ( -1.879 -5.137 -0.378) 5.483 28.407 ( -1.879 5.137 -0.378) 5.483 28.605 ( -5.413 -4.112 -3.829) 7.802 28.605 ( -5.413 4.112 -3.829) 7.802 28.938 ( -7.462 -5.685 3.228) 9.921 28.938 ( -7.462 5.685 3.228) 9.921 29.504 ( -4.896 -12.200 -2.876) 13.456 29.504 ( -4.896 12.200 -2.876) 13.456 29.882 ( -0.256 -5.819 5.403) 7.945 29.882 ( -0.256 5.819 5.403) 7.945 30.032 ( 1.086 -3.582 -4.491) 5.846 30.032 ( 1.086 3.582 -4.491) 5.846 30.533 ( 0.121 -7.899 0.846) 7.945 30.533 ( 0.121 7.899 0.846) 7.945 31.262 ( 8.765 -8.722 1.307) 12.434 31.262 ( 8.765 8.722 1.307) 12.434 ======================= Grid point 24 (14/63) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -3.972 -12.330 -0.266) 12.957 2.119 ( -3.972 12.330 -0.266) 12.957 2.316 ( -2.619 -6.739 -4.754) 8.652 2.316 ( -2.619 6.739 -4.754) 8.652 2.476 ( -10.322 -7.282 -16.266) 20.595 2.476 ( -10.322 7.282 -16.266) 20.595 2.842 ( -1.888 -1.691 -5.197) 5.783 2.842 ( -1.888 1.691 -5.197) 5.783 3.073 ( 3.830 -1.464 -1.340) 4.314 3.073 ( 3.830 1.464 -1.340) 4.314 3.188 ( 6.351 -7.013 -4.221) 10.361 3.188 ( 6.351 7.013 -4.221) 10.361 3.329 ( 0.013 -2.585 3.247) 4.151 3.329 ( 0.013 2.585 3.247) 4.151 3.705 ( -1.911 -6.676 -0.468) 6.960 3.705 ( -1.911 6.676 -0.468) 6.960 3.827 ( 4.675 -6.884 -4.167) 9.306 3.827 ( 4.675 6.884 -4.167) 9.306 3.911 ( -1.573 -3.975 4.058) 5.895 3.911 ( -1.573 3.975 4.058) 5.895 4.041 ( -0.629 -3.288 0.141) 3.351 4.041 ( -0.629 3.288 0.141) 3.351 4.241 ( 1.463 -13.309 -0.461) 13.397 4.241 ( 1.463 13.309 -0.461) 13.397 4.400 ( 3.248 -6.041 0.802) 6.905 4.400 ( 3.248 6.041 0.802) 6.905 4.490 ( 8.307 -8.265 -1.179) 11.777 4.490 ( 8.307 8.265 -1.179) 11.777 4.638 ( -0.653 -9.543 11.959) 15.314 4.638 ( -0.653 9.543 11.959) 15.314 4.705 ( 3.196 -5.631 3.122) 7.188 4.705 ( 3.196 5.631 3.122) 7.188 4.851 ( -1.667 -7.348 0.035) 7.535 4.851 ( -1.667 7.348 0.035) 7.535 5.009 ( -3.735 -3.752 -0.585) 5.327 5.009 ( -3.735 3.752 -0.585) 5.327 5.124 ( -0.592 -3.651 -1.507) 3.994 5.124 ( -0.592 3.651 -1.507) 3.994 5.230 ( -1.659 -5.243 7.393) 9.214 5.230 ( -1.659 5.243 7.393) 9.214 5.381 ( -4.636 -1.440 0.549) 4.886 5.381 ( -4.636 1.440 0.549) 4.886 5.537 ( -4.548 -3.780 -6.766) 8.986 5.537 ( -4.548 3.780 -6.766) 8.986 5.639 ( 4.824 -8.083 -1.836) 9.590 5.639 ( 4.824 8.083 -1.836) 9.590 5.784 ( -0.468 -1.288 3.057) 3.350 5.784 ( -0.468 1.288 3.057) 3.350 5.916 ( -2.280 -3.512 5.062) 6.569 5.916 ( -2.280 3.512 5.062) 6.569 6.005 ( -6.176 -0.669 -3.169) 6.974 6.005 ( -6.176 0.669 -3.169) 6.974 6.208 ( 2.865 -3.007 3.929) 5.717 6.208 ( 2.865 3.007 3.929) 5.717 6.290 ( 4.087 -4.579 -5.087) 7.972 6.290 ( 4.087 4.579 -5.087) 7.972 6.391 ( 6.449 -3.695 0.124) 7.434 6.391 ( 6.449 3.695 0.124) 7.434 6.465 ( 2.170 -6.843 2.099) 7.479 6.465 ( 2.170 6.843 2.099) 7.479 6.686 ( -1.443 -4.394 2.542) 5.277 6.686 ( -1.443 4.394 2.542) 5.277 6.855 ( -0.813 -3.217 0.781) 3.409 6.855 ( -0.813 3.217 0.781) 3.409 7.043 ( -1.946 -11.577 2.918) 12.097 7.043 ( -1.946 11.577 2.918) 12.097 7.359 ( -4.421 -1.307 1.411) 4.821 7.359 ( -4.421 1.307 1.411) 4.821 7.541 ( 0.858 -1.868 -4.084) 4.572 7.541 ( 0.858 1.868 -4.084) 4.572 7.607 ( -3.436 -3.212 -2.805) 5.476 7.607 ( -3.436 3.212 -2.805) 5.476 7.912 ( -0.578 -2.736 5.357) 6.043 7.912 ( -0.578 2.736 5.357) 6.043 8.144 ( -0.295 -2.235 3.199) 3.914 8.144 ( -0.295 2.235 3.199) 3.914 8.250 ( -2.134 -2.144 -3.873) 4.914 8.250 ( -2.134 2.144 -3.873) 4.914 8.606 ( -2.955 -4.172 -3.887) 6.423 8.606 ( -2.955 4.172 -3.887) 6.423 8.665 ( 0.789 -3.202 1.028) 3.454 8.665 ( 0.789 3.202 1.028) 3.454 8.861 ( -0.840 -9.597 -1.129) 9.700 8.861 ( -0.840 9.597 -1.129) 9.700 9.015 ( 0.298 -2.695 1.899) 3.311 9.015 ( 0.298 2.695 1.899) 3.311 9.254 ( 1.811 -2.408 -0.427) 3.043 9.254 ( 1.811 2.408 -0.427) 3.043 9.331 ( 2.562 -3.324 -2.054) 4.673 9.331 ( 2.562 3.324 -2.054) 4.673 9.500 ( -0.548 -4.646 -1.439) 4.894 9.500 ( -0.548 4.646 -1.439) 4.894 9.657 ( -2.240 -0.459 -2.727) 3.558 9.657 ( -2.240 0.459 -2.727) 3.558 9.949 ( 2.395 -4.109 0.913) 4.843 9.949 ( 2.395 4.109 0.913) 4.843 10.111 ( 0.636 -1.576 -1.558) 2.305 10.111 ( 0.636 1.576 -1.558) 2.305 10.393 ( 0.566 -2.984 -1.664) 3.463 10.393 ( 0.566 2.984 -1.664) 3.463 10.570 ( -4.237 -5.252 1.724) 6.965 10.570 ( -4.237 5.252 1.724) 6.965 10.676 ( -0.425 -2.564 -2.849) 3.857 10.676 ( -0.425 2.564 -2.849) 3.857 11.041 ( -1.052 -0.967 -2.432) 2.821 11.041 ( -1.052 0.967 -2.432) 2.821 11.247 ( 2.809 -0.291 3.828) 4.757 11.247 ( 2.809 0.291 3.828) 4.757 11.880 ( -0.647 -0.425 -1.295) 1.509 11.880 ( -0.647 0.425 -1.295) 1.509 12.112 ( 2.240 -1.078 4.498) 5.139 12.112 ( 2.240 1.078 4.498) 5.139 12.242 ( -3.159 -5.292 1.581) 6.363 12.242 ( -3.159 5.292 1.581) 6.363 12.318 ( -0.896 -1.874 -0.867) 2.251 12.318 ( -0.896 1.874 -0.867) 2.251 12.471 ( -2.078 -3.238 3.173) 4.987 12.471 ( -2.078 3.238 3.173) 4.987 12.648 ( 1.886 -2.317 -0.901) 3.120 12.648 ( 1.885 2.317 -0.901) 3.120 12.750 ( -3.047 -3.635 -1.900) 5.110 12.750 ( -3.047 3.635 -1.900) 5.110 12.999 ( -0.185 -4.507 0.454) 4.534 12.999 ( -0.185 4.507 0.454) 4.534 13.156 ( -0.776 -3.023 -2.495) 3.996 13.156 ( -0.776 3.023 -2.495) 3.996 13.324 ( 3.619 -5.128 2.230) 6.661 13.324 ( 3.619 5.128 2.230) 6.661 13.669 ( 6.689 -2.783 -0.658) 7.274 13.669 ( 6.689 2.783 -0.658) 7.274 13.823 ( -0.383 -3.539 -0.207) 3.565 13.823 ( -0.383 3.539 -0.207) 3.565 13.962 ( -6.714 -3.943 6.263) 9.993 13.962 ( -6.714 3.943 6.263) 9.993 14.186 ( -5.914 -7.658 -4.377) 10.620 14.186 ( -5.914 7.658 -4.377) 10.620 14.561 ( -2.353 -5.384 1.158) 5.989 14.561 ( -2.353 5.384 1.158) 5.989 14.852 ( 3.696 -5.636 -0.000) 6.740 14.852 ( 3.696 5.636 -0.000) 6.740 15.241 ( 1.839 -5.035 -1.262) 5.507 15.241 ( 1.839 5.035 -1.262) 5.507 15.384 ( -2.751 -0.571 0.385) 2.836 15.384 ( -2.751 0.571 0.385) 2.836 15.546 ( -0.856 -1.488 -0.131) 1.722 15.546 ( -0.856 1.488 -0.131) 1.722 15.864 ( 1.503 -4.831 -0.573) 5.092 15.864 ( 1.503 4.831 -0.573) 5.092 15.903 ( -0.529 -7.155 -1.420) 7.314 15.903 ( -0.529 7.155 -1.420) 7.314 16.324 ( 1.459 -2.369 -3.003) 4.094 16.324 ( 1.459 2.369 -3.003) 4.094 16.661 ( 1.907 -9.813 3.855) 10.714 16.661 ( 1.907 9.813 3.855) 10.714 16.899 ( 4.006 -1.970 -1.401) 4.679 16.899 ( 4.006 1.970 -1.401) 4.679 19.213 ( 0.437 -5.905 0.309) 5.929 19.213 ( 0.437 5.905 0.309) 5.929 19.444 ( -1.549 -5.788 -0.334) 6.001 19.444 ( -1.549 5.788 -0.334) 6.001 21.054 ( 0.629 -2.207 -1.963) 3.020 21.054 ( 0.629 2.207 -1.963) 3.020 21.173 ( -0.009 -1.629 0.037) 1.630 21.173 ( -0.009 1.629 0.037) 1.630 24.996 ( 0.359 -0.878 1.148) 1.489 24.996 ( 0.359 0.878 1.148) 1.489 25.389 ( 2.066 -2.571 1.423) 3.592 25.389 ( 2.066 2.571 1.423) 3.592 25.915 ( -0.461 -1.778 -1.302) 2.251 25.915 ( -0.461 1.778 -1.302) 2.251 26.114 ( -0.476 -0.106 1.321) 1.408 26.114 ( -0.476 0.106 1.321) 1.408 26.712 ( -0.128 -4.761 2.456) 5.358 26.712 ( -0.128 4.761 2.456) 5.358 26.999 ( 0.687 -1.759 2.181) 2.885 26.999 ( 0.687 1.759 2.181) 2.885 27.185 ( 3.222 -1.110 -1.005) 3.553 27.185 ( 3.222 1.110 -1.005) 3.553 27.336 ( 1.191 -1.582 -1.343) 2.393 27.336 ( 1.191 1.582 -1.343) 2.393 27.620 ( -0.013 -2.166 -1.279) 2.516 27.620 ( -0.013 2.166 -1.279) 2.516 27.850 ( 4.046 -2.716 4.719) 6.783 27.850 ( 4.046 2.716 4.719) 6.783 28.117 ( -1.412 -6.426 0.804) 6.628 28.117 ( -1.412 6.426 0.804) 6.628 28.251 ( -3.205 -5.814 -3.963) 7.731 28.251 ( -3.205 5.814 -3.963) 7.731 28.324 ( -0.350 -1.238 -2.921) 3.191 28.324 ( -0.350 1.238 -2.921) 3.191 28.500 ( -3.047 -3.606 -1.872) 5.078 28.500 ( -3.047 3.606 -1.872) 5.078 28.875 ( -3.837 -5.575 2.590) 7.247 28.875 ( -3.837 5.575 2.590) 7.247 29.393 ( -4.147 -14.884 -2.252) 15.614 29.393 ( -4.147 14.884 -2.252) 15.614 29.901 ( -1.900 -4.927 3.094) 6.120 29.901 ( -1.900 4.927 3.094) 6.120 29.996 ( 0.054 -2.885 -3.426) 4.479 29.996 ( 0.054 2.885 -3.426) 4.479 30.573 ( 2.411 -11.961 0.966) 12.240 30.573 ( 2.411 11.961 0.966) 12.240 31.397 ( 4.881 -5.253 1.346) 7.296 31.397 ( 4.881 5.253 1.346) 7.296 ======================= Grid point 26 (15/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.000 -9.011 0.000) 9.011 1.987 ( 0.000 9.011 0.000) 9.011 2.235 ( 0.000 -9.679 0.000) 9.679 2.235 ( 0.000 9.679 0.000) 9.679 2.350 ( 0.000 -0.037 0.000) 0.037 2.350 ( 0.000 0.037 0.000) 0.037 2.799 ( 0.000 -7.376 0.000) 7.376 2.799 ( 0.000 7.376 0.000) 7.376 3.089 ( 0.000 -1.600 0.000) 1.600 3.089 ( 0.000 1.600 0.000) 1.600 3.278 ( -0.000 -0.945 -0.000) 0.945 3.278 ( 0.000 0.945 0.000) 0.945 3.300 ( -0.000 -0.764 0.000) 0.764 3.300 ( 0.000 0.764 0.000) 0.764 3.666 ( 0.000 -6.035 0.000) 6.035 3.666 ( 0.000 6.035 -0.000) 6.035 3.831 ( 0.000 -1.389 0.000) 1.389 3.831 ( 0.000 1.389 0.000) 1.389 3.974 ( 0.000 -6.762 0.000) 6.762 3.974 ( 0.000 6.762 0.000) 6.762 4.029 ( -0.000 -1.302 -0.000) 1.302 4.029 ( 0.000 1.302 0.000) 1.302 4.228 ( 0.000 -19.658 0.000) 19.658 4.228 ( 0.000 19.658 0.000) 19.658 4.435 ( 0.000 -4.350 0.000) 4.350 4.435 ( 0.000 4.350 0.000) 4.350 4.563 ( 0.000 -1.960 0.000) 1.960 4.563 ( 0.000 1.960 0.000) 1.960 4.698 ( 0.000 -7.868 -0.000) 7.868 4.698 ( 0.000 7.868 0.000) 7.868 4.778 ( 0.000 -8.568 -0.000) 8.568 4.778 ( 0.000 8.568 0.000) 8.568 4.837 ( 0.000 -10.720 0.000) 10.720 4.837 ( 0.000 10.720 0.000) 10.720 4.984 ( 0.000 -6.039 -0.000) 6.039 4.984 ( 0.000 6.039 -0.000) 6.039 5.111 ( 0.000 -0.789 -0.000) 0.789 5.111 ( 0.000 0.789 0.000) 0.789 5.207 ( 0.000 -4.670 0.000) 4.670 5.207 ( 0.000 4.670 -0.000) 4.670 5.356 ( 0.000 -6.918 0.000) 6.918 5.356 ( 0.000 6.918 0.000) 6.918 5.467 ( 0.000 -5.541 -0.000) 5.541 5.467 ( 0.000 5.541 0.000) 5.541 5.702 ( 0.000 -6.350 0.000) 6.350 5.702 ( 0.000 6.350 -0.000) 6.350 5.804 ( 0.000 -1.871 -0.000) 1.871 5.804 ( -0.000 1.871 -0.000) 1.871 5.863 ( 0.000 -1.045 0.000) 1.045 5.863 ( 0.000 1.045 0.000) 1.045 5.958 ( 0.000 -3.464 -0.000) 3.464 5.958 ( 0.000 3.464 0.000) 3.464 6.248 ( 0.000 -2.748 0.000) 2.748 6.248 ( 0.000 2.748 0.000) 2.748 6.290 ( 0.000 -5.521 0.000) 5.521 6.290 ( 0.000 5.521 0.000) 5.521 6.483 ( 0.000 -0.680 0.000) 0.680 6.483 ( 0.000 0.680 0.000) 0.680 6.509 ( 0.000 -4.138 0.000) 4.138 6.509 ( 0.000 4.138 0.000) 4.138 6.687 ( 0.000 -4.315 0.000) 4.315 6.687 ( 0.000 4.315 0.000) 4.315 6.846 ( 0.000 -3.239 0.000) 3.239 6.846 ( 0.000 3.239 0.000) 3.239 7.051 ( 0.000 -11.736 0.000) 11.736 7.051 ( 0.000 11.736 0.000) 11.736 7.307 ( 0.000 -0.696 -0.000) 0.696 7.307 ( 0.000 0.696 0.000) 0.696 7.505 ( 0.000 -4.501 0.000) 4.501 7.505 ( 0.000 4.501 0.000) 4.501 7.598 ( 0.000 -2.765 0.000) 2.765 7.598 ( 0.000 2.765 0.000) 2.765 7.939 ( 0.000 -5.494 0.000) 5.494 7.939 ( 0.000 5.494 0.000) 5.494 8.105 ( 0.000 -0.644 0.000) 0.644 8.105 ( 0.000 0.644 0.000) 0.644 8.283 ( 0.000 -2.191 0.000) 2.191 8.283 ( 0.000 2.192 0.000) 2.192 8.514 ( 0.000 -5.338 0.000) 5.338 8.514 ( 0.000 5.338 0.000) 5.338 8.682 ( 0.000 -3.492 0.000) 3.492 8.682 ( 0.000 3.492 0.000) 3.492 8.849 ( 0.000 -12.088 0.000) 12.088 8.849 ( 0.000 12.088 0.000) 12.088 9.037 ( 0.000 -1.217 0.000) 1.217 9.037 ( 0.000 1.217 0.000) 1.217 9.263 ( 0.000 -5.002 0.000) 5.002 9.263 ( 0.000 5.002 0.000) 5.002 9.348 ( 0.000 -2.931 0.000) 2.931 9.348 ( 0.000 2.931 -0.000) 2.931 9.471 ( 0.000 -3.474 0.000) 3.474 9.471 ( 0.000 3.474 0.000) 3.474 9.627 ( 0.000 -3.674 0.000) 3.674 9.627 ( 0.000 3.674 0.000) 3.674 9.979 ( 0.000 -0.018 0.000) 0.018 9.979 ( 0.000 0.018 0.000) 0.018 10.108 ( 0.000 -0.502 0.000) 0.502 10.108 ( 0.000 0.502 0.000) 0.502 10.387 ( 0.000 -3.185 0.000) 3.185 10.387 ( 0.000 3.185 0.000) 3.185 10.525 ( 0.000 -4.379 0.000) 4.379 10.525 ( 0.000 4.379 0.000) 4.379 10.667 ( 0.000 -2.943 0.000) 2.943 10.667 ( 0.000 2.943 0.000) 2.943 11.019 ( 0.000 -0.473 0.000) 0.473 11.019 ( 0.000 0.473 0.000) 0.473 11.293 ( 0.000 -0.429 0.000) 0.429 11.293 ( 0.000 0.429 0.000) 0.429 11.872 ( 0.000 -0.047 0.000) 0.047 11.872 ( 0.000 0.047 0.000) 0.047 12.157 ( 0.000 -1.660 -0.000) 1.660 12.157 ( 0.000 1.660 0.000) 1.660 12.223 ( 0.000 -4.127 -0.000) 4.127 12.223 ( 0.000 4.127 0.000) 4.127 12.303 ( -0.000 -5.339 -0.000) 5.339 12.303 ( 0.000 5.339 0.000) 5.339 12.463 ( 0.000 -4.129 -0.000) 4.129 12.463 ( 0.000 4.129 -0.000) 4.129 12.664 ( 0.000 -8.281 0.000) 8.281 12.664 ( 0.000 8.281 -0.000) 8.281 12.716 ( 0.000 -2.330 0.000) 2.330 12.716 ( 0.000 2.330 0.000) 2.330 13.009 ( 0.000 -6.087 -0.000) 6.087 13.009 ( 0.000 6.087 0.000) 6.087 13.129 ( 0.000 -2.047 0.000) 2.047 13.129 ( 0.000 2.047 0.000) 2.047 13.371 ( 0.000 -4.834 0.000) 4.834 13.371 ( 0.000 4.834 0.000) 4.834 13.723 ( 0.000 -0.993 0.000) 0.993 13.723 ( 0.000 0.993 0.000) 0.993 13.806 ( 0.000 -0.011 0.000) 0.011 13.806 ( 0.000 0.011 0.000) 0.011 13.952 ( 0.000 -5.171 -0.000) 5.171 13.952 ( 0.000 5.171 -0.000) 5.171 14.104 ( 0.000 -8.312 0.000) 8.312 14.104 ( 0.000 8.312 0.000) 8.312 14.544 ( 0.000 -7.115 0.000) 7.115 14.544 ( 0.000 7.115 0.000) 7.115 14.888 ( 0.000 -4.285 0.000) 4.285 14.888 ( 0.000 4.285 0.000) 4.285 15.256 ( 0.000 -6.585 0.000) 6.585 15.256 ( 0.000 6.585 0.000) 6.585 15.359 ( 0.000 -2.860 0.000) 2.860 15.359 ( 0.000 2.860 0.000) 2.860 15.539 ( 0.000 -1.077 0.000) 1.077 15.539 ( 0.000 1.077 0.000) 1.077 15.866 ( 0.000 -6.389 0.000) 6.389 15.866 ( 0.000 6.389 0.000) 6.389 15.898 ( 0.000 -8.548 -0.000) 8.548 15.898 ( 0.000 8.548 0.000) 8.548 16.318 ( 0.000 -2.497 0.000) 2.497 16.318 ( 0.000 2.497 -0.000) 2.497 16.706 ( 0.000 -8.173 0.000) 8.173 16.706 ( 0.000 8.173 0.000) 8.173 16.925 ( 0.000 -1.657 0.000) 1.657 16.925 ( 0.000 1.657 0.000) 1.657 19.218 ( 0.000 -5.542 0.000) 5.542 19.218 ( 0.000 5.542 0.000) 5.542 19.429 ( 0.000 -5.045 0.000) 5.045 19.429 ( 0.000 5.045 0.000) 5.045 21.048 ( 0.000 -2.377 -0.000) 2.377 21.048 ( 0.000 2.377 0.000) 2.377 21.173 ( 0.000 -1.684 0.000) 1.684 21.173 ( 0.000 1.684 0.000) 1.684 25.004 ( 0.000 -0.924 0.000) 0.924 25.004 ( 0.000 0.924 0.000) 0.924 25.416 ( 0.000 -3.152 0.000) 3.152 25.416 ( 0.000 3.152 0.000) 3.152 25.905 ( 0.000 -1.851 0.000) 1.851 25.905 ( 0.000 1.851 0.000) 1.851 26.115 ( 0.000 -0.224 -0.000) 0.224 26.115 ( 0.000 0.224 0.000) 0.224 26.721 ( 0.000 -5.298 0.000) 5.298 26.721 ( 0.000 5.298 0.000) 5.298 27.021 ( 0.000 -3.846 0.000) 3.846 27.021 ( 0.000 3.846 0.000) 3.846 27.206 ( 0.000 -0.448 -0.000) 0.448 27.206 ( 0.000 0.448 -0.000) 0.448 27.340 ( 0.000 -1.150 0.000) 1.150 27.340 ( 0.000 1.150 0.000) 1.150 27.618 ( 0.000 -3.985 0.000) 3.985 27.618 ( 0.000 3.985 -0.000) 3.985 27.959 ( 0.000 -3.186 0.000) 3.186 27.959 ( 0.000 3.186 -0.000) 3.186 28.035 ( 0.000 -9.014 0.000) 9.014 28.035 ( -0.000 9.014 -0.000) 9.014 28.201 ( 0.000 -8.999 0.000) 8.999 28.201 ( 0.000 8.999 -0.000) 8.999 28.334 ( 0.000 -3.088 0.000) 3.088 28.334 ( 0.000 3.088 0.000) 3.088 28.455 ( 0.000 -3.312 0.000) 3.312 28.455 ( 0.000 3.312 0.000) 3.312 28.854 ( 0.000 -6.640 0.000) 6.640 28.854 ( 0.000 6.640 0.000) 6.640 29.343 ( 0.000 -15.329 0.000) 15.329 29.343 ( 0.000 15.329 0.000) 15.329 29.897 ( 0.000 -2.676 0.000) 2.676 29.897 ( 0.000 2.676 0.000) 2.676 29.979 ( 0.000 -3.023 0.000) 3.023 29.979 ( 0.000 3.023 -0.000) 3.023 30.603 ( 0.000 -13.425 0.000) 13.425 30.603 ( 0.000 13.425 0.000) 13.425 31.446 ( 0.000 -2.832 0.000) 2.832 31.446 ( 0.000 2.832 0.000) 2.832 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -11.233 0.000 33.809) 35.626 0.869 ( -9.480 0.000 43.703) 44.719 1.393 ( 8.250 0.000 69.106) 69.596 2.343 ( 12.745 0.000 -20.042) 23.751 2.354 ( 10.328 0.000 17.119) 19.994 2.712 ( 7.964 0.000 -2.209) 8.265 2.900 ( 6.697 0.000 -17.739) 18.961 2.964 ( 0.305 0.000 2.293) 2.313 2.988 ( 3.182 0.000 0.063) 3.182 3.105 ( -3.278 0.000 12.229) 12.661 3.195 ( 0.016 0.000 -1.443) 1.443 3.217 ( 2.369 0.000 4.332) 4.937 3.238 ( 6.357 0.000 -4.853) 7.998 3.453 ( 1.745 0.000 -1.887) 2.570 3.552 ( -2.971 0.000 6.444) 7.096 3.644 ( 0.548 0.000 -9.013) 9.030 3.672 ( -3.134 0.000 -2.210) 3.835 3.755 ( 1.955 0.000 4.475) 4.883 3.798 ( 7.042 0.000 8.728) 11.215 3.847 ( -7.857 0.000 -6.150) 9.978 3.956 ( -2.730 0.000 -0.915) 2.880 4.113 ( 4.936 0.000 2.187) 5.399 4.169 ( -1.321 0.000 1.566) 2.049 4.286 ( 0.298 0.000 -1.900) 1.923 4.310 ( 7.403 0.000 3.209) 8.069 4.365 ( 2.270 0.000 -8.485) 8.784 4.389 ( -2.576 0.000 3.253) 4.150 4.481 ( -10.401 0.000 3.976) 11.135 4.619 ( 1.221 0.000 9.017) 9.099 4.663 ( -1.975 0.000 6.707) 6.991 4.724 ( -4.695 0.000 -0.259) 4.702 4.881 ( 0.590 0.000 -10.804) 10.820 4.905 ( -0.918 0.000 -3.593) 3.708 4.926 ( 6.710 0.000 -0.196) 6.713 4.993 ( -6.415 0.000 -1.635) 6.620 5.099 ( 4.110 0.000 -2.841) 4.997 5.135 ( -3.400 0.000 -3.259) 4.710 5.250 ( -3.559 0.000 -0.845) 3.658 5.276 ( -1.403 0.000 -3.607) 3.870 5.354 ( -2.350 0.000 -5.806) 6.264 5.360 ( -0.418 0.000 -5.601) 5.617 5.455 ( 2.472 0.000 -0.788) 2.595 5.464 ( 5.000 0.000 -3.588) 6.154 5.515 ( 1.789 0.000 -1.642) 2.428 5.557 ( -4.553 0.000 -5.230) 6.934 5.728 ( -2.666 0.000 -7.024) 7.513 5.786 ( 5.000 0.000 3.775) 6.265 5.849 ( 7.161 0.000 -5.384) 8.959 5.901 ( -1.728 0.000 -5.089) 5.374 5.927 ( -2.305 0.000 0.817) 2.445 6.057 ( -10.411 0.000 0.519) 10.424 6.092 ( -5.747 0.000 -4.907) 7.557 6.224 ( -2.037 0.000 2.420) 3.163 6.264 ( -1.667 0.000 -2.228) 2.783 6.329 ( 9.649 0.000 -5.923) 11.321 6.363 ( -2.499 0.000 -4.742) 5.360 6.413 ( -3.958 0.000 7.211) 8.226 6.478 ( -6.781 0.000 0.825) 6.831 6.665 ( -0.078 0.000 4.478) 4.479 6.707 ( -1.404 0.000 7.304) 7.438 6.770 ( 1.368 0.000 7.196) 7.325 6.841 ( -4.095 0.000 9.357) 10.214 6.885 ( 1.476 0.000 -4.123) 4.379 6.962 ( -0.133 0.000 -5.153) 5.155 7.023 ( 9.754 0.000 1.711) 9.903 7.161 ( 4.754 0.000 1.937) 5.133 7.254 ( -5.193 0.000 -2.553) 5.787 7.403 ( 4.229 0.000 1.247) 4.409 7.483 ( -3.568 0.000 2.910) 4.604 7.514 ( 6.387 0.000 -2.894) 7.012 7.552 ( 3.444 0.000 -2.487) 4.248 7.705 ( -1.993 0.000 -4.291) 4.731 7.900 ( -1.268 0.000 7.883) 7.984 7.968 ( -0.134 0.000 -2.953) 2.956 8.061 ( -2.316 0.000 -1.803) 2.935 8.116 ( -0.420 0.000 -0.178) 0.457 8.407 ( 0.165 0.000 -4.330) 4.333 8.481 ( -1.339 0.000 0.370) 1.389 8.651 ( 4.777 0.000 -4.360) 6.468 8.661 ( 8.016 0.000 -4.337) 9.114 8.758 ( -7.452 0.000 1.467) 7.595 8.760 ( 6.173 0.000 -0.970) 6.249 8.804 ( -9.311 0.000 2.473) 9.634 8.835 ( 3.811 0.000 -0.936) 3.924 9.042 ( 4.917 0.000 3.175) 5.853 9.043 ( -2.221 0.000 2.482) 3.331 9.083 ( 7.098 0.000 0.702) 7.133 9.198 ( 7.328 0.000 -4.154) 8.424 9.293 ( -1.723 0.000 3.909) 4.272 9.353 ( -5.936 0.000 3.266) 6.775 9.431 ( -3.929 0.000 1.500) 4.206 9.526 ( -7.013 0.000 4.210) 8.180 9.614 ( 8.493 0.000 -2.086) 8.745 9.672 ( -4.916 0.000 1.411) 5.114 9.876 ( -0.385 0.000 -4.577) 4.593 9.965 ( 5.243 0.000 -5.591) 7.665 10.013 ( 1.293 0.000 -1.882) 2.283 10.187 ( -1.252 0.000 -4.389) 4.564 10.365 ( -1.692 0.000 7.629) 7.815 10.408 ( -1.468 0.000 1.670) 2.223 10.685 ( 1.529 0.000 -1.619) 2.227 10.813 ( 0.364 0.000 3.531) 3.549 10.876 ( -0.631 0.000 7.179) 7.207 10.918 ( 7.329 0.000 0.823) 7.375 10.924 ( 2.336 0.000 4.862) 5.394 11.145 ( 1.330 0.000 -8.886) 8.985 11.261 ( 3.333 0.000 -3.065) 4.528 11.310 ( -3.213 0.000 -5.706) 6.548 11.830 ( 1.805 0.000 2.339) 2.954 12.070 ( 0.435 0.000 3.260) 3.288 12.114 ( -7.045 0.000 -4.833) 8.544 12.119 ( 1.676 0.000 1.812) 2.468 12.175 ( 1.448 0.000 0.538) 1.545 12.220 ( -0.033 0.000 4.815) 4.815 12.269 ( -3.833 0.000 -0.289) 3.843 12.316 ( -2.012 0.000 -1.036) 2.263 12.379 ( 3.143 0.000 -1.933) 3.690 12.577 ( -0.571 0.000 5.619) 5.648 12.714 ( 0.473 0.000 -3.030) 3.067 12.759 ( -3.905 0.000 0.826) 3.991 12.864 ( 6.732 0.000 1.751) 6.956 12.963 ( 1.104 0.000 -0.644) 1.278 12.987 ( -0.071 0.000 -4.386) 4.387 13.001 ( -1.108 0.000 0.425) 1.186 13.133 ( -0.018 0.000 2.022) 2.022 13.155 ( -2.483 0.000 4.642) 5.264 13.184 ( -5.528 0.000 1.021) 5.621 13.457 ( 1.516 0.000 -1.501) 2.133 13.497 ( 24.347 0.000 1.588) 24.398 13.628 ( 3.403 0.000 0.293) 3.416 13.685 ( 0.232 0.000 -1.687) 1.702 13.898 ( 10.724 0.000 -0.832) 10.756 13.958 ( -2.312 0.000 2.952) 3.749 14.110 ( -3.584 0.000 -3.493) 5.005 14.120 ( -5.651 0.000 0.936) 5.728 14.307 ( -2.909 0.000 3.585) 4.617 14.509 ( 1.744 0.000 -4.950) 5.248 14.530 ( -0.903 0.000 -5.221) 5.299 14.799 ( -22.655 0.000 4.007) 23.006 14.866 ( 2.945 0.000 2.453) 3.832 15.041 ( 1.154 0.000 0.300) 1.193 15.209 ( -0.638 0.000 -0.221) 0.675 15.352 ( -0.544 0.000 -2.199) 2.265 15.383 ( -4.835 0.000 -5.099) 7.027 15.463 ( -0.600 0.000 3.033) 3.092 15.567 ( 0.219 0.000 0.179) 0.283 15.834 ( -0.932 0.000 3.438) 3.562 15.835 ( -30.286 0.000 4.026) 30.552 16.008 ( -3.719 0.000 -2.920) 4.729 16.178 ( -0.284 0.000 2.960) 2.973 16.228 ( 1.444 0.000 -2.497) 2.884 16.408 ( 9.789 0.000 -4.252) 10.673 16.437 ( -13.830 0.000 -5.129) 14.750 16.575 ( 0.212 0.000 -1.720) 1.733 16.652 ( 0.114 0.000 2.901) 2.904 16.701 ( -2.871 0.000 1.762) 3.368 19.053 ( -3.831 0.000 0.885) 3.932 19.221 ( 1.024 0.000 -3.790) 3.926 19.498 ( 0.367 0.000 2.721) 2.745 19.716 ( -0.619 0.000 -2.106) 2.195 20.823 ( -0.246 0.000 1.986) 2.001 20.963 ( -0.668 0.000 -1.401) 1.553 21.208 ( -0.640 0.000 1.802) 1.912 21.379 ( 5.779 0.000 -1.983) 6.109 24.940 ( -0.701 0.000 0.850) 1.102 25.168 ( -4.818 0.000 -6.011) 7.704 25.267 ( 2.241 0.000 6.282) 6.670 25.379 ( -11.916 0.000 3.848) 12.522 25.849 ( -1.415 0.000 -3.904) 4.153 25.937 ( -2.092 0.000 -5.104) 5.516 26.049 ( 0.982 0.000 3.974) 4.093 26.108 ( -1.275 0.000 2.643) 2.935 26.519 ( 23.052 0.000 3.414) 23.304 26.545 ( 2.007 0.000 4.701) 5.111 26.909 ( 0.393 0.000 4.495) 4.512 27.018 ( -1.538 0.000 -1.404) 2.082 27.021 ( -5.452 0.000 -2.381) 5.950 27.214 ( -0.875 0.000 -2.263) 2.426 27.394 ( -4.680 0.000 -1.494) 4.913 27.410 ( -4.589 0.000 -0.543) 4.621 27.417 ( 1.287 0.000 -1.290) 1.822 27.495 ( -1.793 0.000 -4.659) 4.992 27.715 ( 4.011 0.000 4.118) 5.749 28.019 ( -2.319 0.000 -0.047) 2.320 28.038 ( -3.148 0.000 -5.677) 6.491 28.079 ( 0.461 0.000 -2.394) 2.437 28.217 ( 0.361 0.000 3.850) 3.867 28.358 ( 14.199 0.000 -0.654) 14.214 28.462 ( 3.058 0.000 0.259) 3.069 28.524 ( -1.067 0.000 -0.382) 1.133 28.788 ( 1.590 0.000 5.376) 5.606 29.002 ( -4.186 0.000 1.542) 4.461 29.125 ( -30.538 0.000 1.799) 30.591 29.258 ( 2.080 0.000 -2.188) 3.019 29.351 ( 5.471 0.000 -1.540) 5.683 29.418 ( -1.731 0.000 -3.255) 3.686 29.748 ( -8.208 0.000 2.257) 8.512 29.865 ( 39.557 0.000 -0.728) 39.564 29.971 ( -2.429 0.000 6.823) 7.242 30.288 ( 1.220 0.000 -1.944) 2.295 30.548 ( 4.824 0.000 -0.945) 4.916 30.624 ( -5.897 0.000 -1.351) 6.049 30.899 ( -0.750 0.000 0.240) 0.787 31.058 ( 11.600 0.000 -2.365) 11.838 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 8.273 0.000 24.879) 26.219 1.107 ( 1.283 0.000 34.516) 34.540 2.333 ( 17.340 0.000 -13.979) 22.273 2.526 ( 30.114 0.000 39.064) 49.324 2.602 ( 3.528 0.000 -8.169) 8.899 2.803 ( -3.982 0.000 -18.134) 18.566 2.849 ( 4.105 0.000 0.522) 4.138 2.977 ( 3.409 0.000 -2.203) 4.059 3.044 ( 3.689 0.000 7.896) 8.715 3.097 ( -7.098 0.000 -5.375) 8.904 3.133 ( -8.533 0.000 10.584) 13.596 3.300 ( 4.075 0.000 1.158) 4.236 3.375 ( 5.923 0.000 8.686) 10.513 3.506 ( 0.499 0.000 2.382) 2.433 3.507 ( -5.592 0.000 -7.854) 9.641 3.563 ( 2.285 0.000 -5.717) 6.157 3.602 ( -3.737 0.000 -1.946) 4.213 3.660 ( -2.142 0.000 0.815) 2.292 3.804 ( -0.882 0.000 1.647) 1.868 3.882 ( 4.857 0.000 -7.480) 8.918 3.897 ( -2.794 0.000 2.400) 3.683 4.085 ( -8.267 0.000 0.146) 8.268 4.216 ( 1.585 0.000 3.146) 3.522 4.231 ( -1.340 0.000 -6.120) 6.265 4.329 ( 2.376 0.000 -0.797) 2.506 4.338 ( 0.790 0.000 -3.330) 3.423 4.460 ( -3.236 0.000 13.294) 13.682 4.525 ( -9.182 0.000 -4.666) 10.300 4.578 ( 5.606 0.000 11.244) 12.564 4.679 ( -6.791 0.000 7.399) 10.043 4.780 ( 5.566 0.000 -1.387) 5.736 4.791 ( 0.647 0.000 -11.298) 11.317 4.828 ( 2.100 0.000 6.449) 6.782 4.878 ( -6.334 0.000 -1.234) 6.453 4.965 ( -5.099 0.000 -13.958) 14.860 5.072 ( 6.549 0.000 0.727) 6.590 5.146 ( 8.377 0.000 -3.921) 9.249 5.182 ( -5.079 0.000 -2.722) 5.763 5.222 ( 2.019 0.000 0.937) 2.226 5.249 ( -0.584 0.000 -5.618) 5.648 5.313 ( 1.053 0.000 -6.551) 6.635 5.445 ( -3.757 0.000 -1.147) 3.929 5.508 ( 2.962 0.000 1.126) 3.169 5.581 ( 5.431 0.000 3.348) 6.380 5.612 ( 4.814 0.000 -1.921) 5.183 5.654 ( -2.301 0.000 -1.202) 2.596 5.744 ( -0.514 0.000 -4.538) 4.568 5.844 ( 1.266 0.000 -4.934) 5.094 5.907 ( -5.434 0.000 1.809) 5.727 5.913 ( 4.621 0.000 2.027) 5.046 6.000 ( -2.317 0.000 1.302) 2.657 6.005 ( 3.647 0.000 1.273) 3.862 6.049 ( -9.422 0.000 -8.410) 12.630 6.163 ( -2.127 0.000 -4.860) 5.305 6.367 ( 5.881 0.000 -4.474) 7.389 6.368 ( 3.360 0.000 -6.385) 7.215 6.407 ( -6.572 0.000 5.985) 8.888 6.518 ( 2.255 0.000 9.349) 9.617 6.674 ( -5.851 0.000 8.731) 10.510 6.693 ( -7.333 0.000 1.614) 7.508 6.794 ( -6.908 0.000 10.069) 12.211 6.803 ( -7.979 0.000 1.376) 8.097 6.898 ( -1.782 0.000 1.274) 2.191 6.898 ( 1.617 0.000 6.324) 6.527 7.048 ( 0.803 0.000 -5.447) 5.506 7.217 ( 2.007 0.000 -2.270) 3.030 7.331 ( 1.415 0.000 -1.256) 1.892 7.413 ( 0.641 0.000 -6.836) 6.866 7.435 ( 4.630 0.000 -3.630) 5.883 7.576 ( -1.817 0.000 1.239) 2.199 7.635 ( 2.645 0.000 -4.442) 5.169 7.643 ( 7.582 0.000 -3.468) 8.338 7.911 ( -1.569 0.000 -4.704) 4.959 7.923 ( -5.280 0.000 9.237) 10.639 8.020 ( -3.240 0.000 5.400) 6.297 8.120 ( 2.957 0.000 -4.106) 5.060 8.389 ( 2.630 0.000 -3.346) 4.256 8.441 ( -2.954 0.000 -0.621) 3.019 8.612 ( -11.042 0.000 1.383) 11.129 8.623 ( -7.602 0.000 -0.010) 7.602 8.667 ( -3.929 0.000 1.052) 4.068 8.689 ( 4.280 0.000 -4.170) 5.975 8.833 ( 1.884 0.000 -0.081) 1.886 8.887 ( 2.482 0.000 0.414) 2.516 9.037 ( -1.580 0.000 3.593) 3.924 9.106 ( 2.126 0.000 -3.044) 3.713 9.159 ( -1.858 0.000 -4.796) 5.143 9.165 ( 0.103 0.000 1.756) 1.759 9.265 ( -4.221 0.000 4.639) 6.272 9.329 ( 1.989 0.000 2.940) 3.550 9.486 ( -0.107 0.000 3.366) 3.367 9.622 ( 7.181 0.000 -2.860) 7.729 9.632 ( -0.846 0.000 2.680) 2.811 9.740 ( 7.367 0.000 -6.387) 9.750 9.860 ( 3.562 0.000 -1.474) 3.855 10.008 ( 6.735 0.000 -5.274) 8.554 10.022 ( 1.081 0.000 -0.345) 1.135 10.109 ( -1.014 0.000 -7.743) 7.809 10.362 ( -6.476 0.000 4.032) 7.629 10.392 ( -1.891 0.000 2.332) 3.003 10.696 ( 2.006 0.000 -1.994) 2.828 10.866 ( -7.866 0.000 0.854) 7.913 10.866 ( 0.543 0.000 5.679) 5.705 10.939 ( -0.954 0.000 8.071) 8.127 11.034 ( 3.365 0.000 6.016) 6.893 11.050 ( -2.833 0.000 -10.204) 10.590 11.162 ( -4.344 0.000 -7.568) 8.727 11.232 ( -7.248 0.000 -3.086) 7.877 11.913 ( -7.190 0.000 -1.441) 7.333 11.922 ( 4.404 0.000 4.512) 6.305 12.035 ( -4.204 0.000 0.499) 4.234 12.141 ( -3.611 0.000 0.985) 3.743 12.205 ( 0.316 0.000 0.424) 0.528 12.234 ( -0.383 0.000 1.279) 1.335 12.282 ( 1.346 0.000 6.603) 6.739 12.329 ( 6.413 0.000 2.599) 6.920 12.437 ( 3.242 0.000 -2.125) 3.877 12.601 ( -1.211 0.000 4.831) 4.981 12.679 ( -1.437 0.000 -0.133) 1.443 12.694 ( -2.097 0.000 -0.524) 2.162 12.852 ( -8.573 0.000 4.901) 9.875 12.962 ( 2.204 0.000 -4.290) 4.823 12.979 ( -2.805 0.000 0.812) 2.920 13.017 ( 4.113 0.000 -1.093) 4.255 13.144 ( 0.895 0.000 -1.405) 1.666 13.154 ( 0.983 0.000 2.585) 2.765 13.193 ( 2.509 0.000 3.285) 4.133 13.457 ( -0.425 0.000 -1.945) 1.991 13.624 ( 1.944 0.000 -3.505) 4.008 13.631 ( -5.226 0.000 -1.666) 5.485 13.719 ( 4.503 0.000 1.059) 4.626 13.809 ( -8.674 0.000 -1.076) 8.740 14.053 ( 4.961 0.000 2.501) 5.556 14.136 ( 0.296 0.000 -3.910) 3.921 14.191 ( 6.075 0.000 2.779) 6.681 14.387 ( 9.013 0.000 -4.810) 10.216 14.410 ( -2.389 0.000 -2.517) 3.470 14.428 ( -4.068 0.000 -4.335) 5.945 14.635 ( -5.468 0.000 6.305) 8.345 14.880 ( -3.713 0.000 2.211) 4.322 15.057 ( -1.089 0.000 3.842) 3.993 15.128 ( -4.889 0.000 -5.108) 7.070 15.325 ( 0.541 0.000 -2.277) 2.341 15.328 ( 1.463 0.000 0.131) 1.469 15.479 ( -0.702 0.000 2.368) 2.470 15.547 ( -3.313 0.000 0.430) 3.340 15.628 ( -6.608 0.000 8.898) 11.084 15.828 ( -2.985 0.000 1.960) 3.571 15.927 ( -1.960 0.000 -3.445) 3.964 16.145 ( 0.619 0.000 2.527) 2.602 16.278 ( -5.638 0.000 -0.605) 5.670 16.343 ( 5.500 0.000 1.480) 5.696 16.515 ( 5.702 0.000 -0.289) 5.709 16.650 ( 7.868 0.000 -2.713) 8.323 16.764 ( 7.876 0.000 -1.312) 7.984 16.778 ( 8.735 0.000 0.993) 8.791 19.087 ( 3.391 0.000 -1.805) 3.842 19.203 ( 1.150 0.000 -2.185) 2.469 19.526 ( -0.940 0.000 3.620) 3.740 19.672 ( -1.210 0.000 -3.489) 3.693 20.864 ( 2.266 0.000 2.447) 3.335 20.958 ( 1.847 0.000 -2.238) 2.901 21.191 ( -3.116 0.000 1.470) 3.445 21.344 ( -4.204 0.000 -1.450) 4.447 24.949 ( 0.008 0.000 1.805) 1.805 25.045 ( -3.623 0.000 0.283) 3.634 25.340 ( -0.486 0.000 2.612) 2.657 25.405 ( 5.081 0.000 7.793) 9.304 25.805 ( -0.568 0.000 -1.709) 1.801 25.878 ( -0.121 0.000 -4.132) 4.134 26.093 ( 0.318 0.000 2.612) 2.632 26.112 ( -1.185 0.000 1.475) 1.892 26.620 ( 1.242 0.000 0.394) 1.303 26.800 ( 9.675 0.000 -4.100) 10.508 26.935 ( 0.022 0.000 5.480) 5.480 27.000 ( 3.994 0.000 0.570) 4.035 27.005 ( 3.442 0.000 -2.127) 4.047 27.201 ( 1.761 0.000 -1.039) 2.045 27.281 ( -6.947 0.000 3.461) 7.762 27.392 ( 0.207 0.000 0.260) 0.333 27.420 ( -1.268 0.000 -4.289) 4.473 27.454 ( 2.627 0.000 -0.214) 2.636 27.805 ( 1.669 0.000 4.905) 5.181 27.901 ( -4.522 0.000 -8.014) 9.202 27.963 ( -3.115 0.000 -0.522) 3.158 28.099 ( 2.893 0.000 -0.414) 2.923 28.231 ( -1.484 0.000 0.303) 1.515 28.395 ( -2.143 0.000 -0.926) 2.335 28.507 ( -1.224 0.000 -0.979) 1.567 28.512 ( 1.097 0.000 2.182) 2.442 28.757 ( -9.847 0.000 8.643) 13.102 28.888 ( -8.228 0.000 -1.692) 8.401 28.927 ( -4.987 0.000 6.282) 8.021 29.149 ( -14.340 0.000 -0.675) 14.356 29.343 ( -3.899 0.000 -3.331) 5.128 29.447 ( 6.020 0.000 -1.782) 6.278 29.678 ( 2.286 0.000 0.663) 2.380 29.961 ( -4.641 0.000 4.021) 6.140 30.103 ( 2.095 0.000 1.471) 2.560 30.318 ( 2.043 0.000 -2.949) 3.587 30.479 ( -5.974 0.000 -6.080) 8.524 30.732 ( 15.656 0.000 0.426) 15.662 30.873 ( -1.847 0.000 2.595) 3.185 31.297 ( 16.701 0.000 -11.843) 20.474 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 12.767 0.000 13.025) 18.239 1.544 ( 15.543 0.000 18.998) 24.546 2.256 ( -12.943 0.000 -38.674) 40.783 2.390 ( 14.809 0.000 -20.781) 25.518 2.479 ( -5.081 0.000 -14.278) 15.155 2.739 ( -7.419 0.000 -3.441) 8.178 2.752 ( -22.029 0.000 -3.593) 22.320 2.788 ( -11.676 0.000 -13.532) 17.873 3.077 ( 7.487 0.000 -3.905) 8.444 3.194 ( -5.946 0.000 0.214) 5.950 3.308 ( 0.103 0.000 0.548) 0.557 3.366 ( 4.409 0.000 1.478) 4.650 3.445 ( 10.621 0.000 15.741) 18.989 3.529 ( -2.494 0.000 -0.821) 2.626 3.562 ( 0.900 0.000 0.706) 1.144 3.640 ( 0.425 0.000 -4.018) 4.040 3.648 ( 9.505 0.000 13.834) 16.784 3.675 ( 3.289 0.000 9.857) 10.392 3.789 ( 2.359 0.000 0.865) 2.512 3.856 ( -3.845 0.000 9.983) 10.698 3.908 ( -8.899 0.000 -2.577) 9.264 4.009 ( 13.757 0.000 -0.107) 13.758 4.159 ( -4.949 0.000 4.499) 6.688 4.230 ( 1.340 0.000 -3.990) 4.209 4.336 ( -0.512 0.000 3.691) 3.727 4.421 ( -5.526 0.000 6.140) 8.261 4.437 ( 7.588 0.000 1.456) 7.726 4.566 ( 2.691 0.000 5.984) 6.561 4.623 ( 2.754 0.000 -11.657) 11.978 4.681 ( -5.740 0.000 -1.589) 5.956 4.698 ( -4.480 0.000 -5.598) 7.170 4.734 ( 2.324 0.000 9.329) 9.614 4.781 ( 2.561 0.000 -0.448) 2.600 4.862 ( 5.119 0.000 -7.823) 9.349 4.922 ( -3.756 0.000 2.442) 4.480 5.088 ( -2.269 0.000 -2.342) 3.261 5.110 ( -4.216 0.000 0.355) 4.231 5.225 ( 4.582 0.000 1.470) 4.812 5.298 ( 1.257 0.000 -2.159) 2.499 5.324 ( 7.523 0.000 -0.506) 7.540 5.326 ( 2.563 0.000 -8.992) 9.350 5.374 ( 0.468 0.000 0.335) 0.576 5.400 ( -5.181 0.000 -4.243) 6.697 5.573 ( 0.877 0.000 -1.956) 2.144 5.580 ( -6.087 0.000 -3.730) 7.139 5.749 ( -2.763 0.000 3.480) 4.444 5.779 ( -3.575 0.000 -1.025) 3.719 5.856 ( 12.201 0.000 4.835) 13.125 5.869 ( 0.034 0.000 3.478) 3.478 5.944 ( -0.180 0.000 -2.541) 2.547 5.984 ( 6.548 0.000 -2.117) 6.882 6.053 ( -2.107 0.000 0.795) 2.252 6.054 ( -1.071 0.000 5.041) 5.153 6.102 ( 2.456 0.000 -5.089) 5.651 6.324 ( -8.476 0.000 0.763) 8.510 6.365 ( -1.857 0.000 0.753) 2.004 6.388 ( 4.394 0.000 0.422) 4.414 6.586 ( -6.611 0.000 8.405) 10.693 6.598 ( -0.449 0.000 2.793) 2.829 6.692 ( -2.083 0.000 9.374) 9.602 6.752 ( -2.389 0.000 5.785) 6.259 6.810 ( -0.949 0.000 10.161) 10.206 6.906 ( -2.457 0.000 4.007) 4.700 6.990 ( 2.633 0.000 3.598) 4.459 7.007 ( 0.954 0.000 -5.896) 5.973 7.195 ( 0.894 0.000 -6.230) 6.294 7.252 ( -3.029 0.000 -2.661) 4.032 7.363 ( 1.283 0.000 -4.246) 4.435 7.482 ( 1.748 0.000 -3.759) 4.145 7.542 ( -2.778 0.000 1.197) 3.025 7.610 ( -1.350 0.000 -6.270) 6.414 7.684 ( 6.125 0.000 -12.228) 13.676 7.891 ( 1.188 0.000 3.497) 3.693 7.921 ( -3.147 0.000 5.356) 6.212 8.049 ( -3.310 0.000 9.712) 10.261 8.153 ( 3.330 0.000 0.382) 3.352 8.367 ( -5.458 0.000 -2.000) 5.813 8.414 ( 2.453 0.000 -1.833) 3.062 8.430 ( -9.621 0.000 -0.035) 9.621 8.473 ( -8.626 0.000 -0.406) 8.635 8.625 ( -3.551 0.000 5.286) 6.368 8.699 ( 2.395 0.000 -5.497) 5.996 8.879 ( 4.821 0.000 -3.146) 5.757 8.893 ( -3.151 0.000 0.702) 3.229 9.019 ( -6.054 0.000 -9.678) 11.416 9.062 ( -1.198 0.000 3.886) 4.067 9.106 ( 0.783 0.000 -0.613) 0.994 9.190 ( 2.504 0.000 4.153) 4.849 9.262 ( 0.684 0.000 0.598) 0.908 9.383 ( 1.868 0.000 0.694) 1.993 9.493 ( -2.471 0.000 2.337) 3.401 9.667 ( 1.650 0.000 -1.034) 1.948 9.680 ( 1.793 0.000 3.877) 4.271 9.791 ( 6.851 0.000 -5.887) 9.033 9.878 ( 0.842 0.000 -5.838) 5.899 9.992 ( -3.517 0.000 -7.112) 7.934 10.034 ( -1.013 0.000 1.442) 1.762 10.094 ( 8.076 0.000 -3.530) 8.814 10.259 ( -5.194 0.000 0.079) 5.195 10.401 ( -0.479 0.000 2.861) 2.901 10.723 ( 3.444 0.000 -2.494) 4.253 10.740 ( -7.600 0.000 1.020) 7.668 10.867 ( -6.455 0.000 -7.140) 9.625 10.939 ( 1.976 0.000 4.615) 5.020 10.998 ( -2.422 0.000 9.197) 9.510 11.006 ( -5.144 0.000 -7.011) 8.696 11.064 ( -5.923 0.000 -2.655) 6.491 11.140 ( 1.907 0.000 5.257) 5.592 11.853 ( 0.355 0.000 -1.196) 1.247 11.979 ( -2.491 0.000 0.582) 2.558 12.042 ( 2.184 0.000 2.330) 3.193 12.068 ( -1.780 0.000 1.455) 2.299 12.252 ( 2.737 0.000 1.441) 3.093 12.265 ( 2.277 0.000 1.213) 2.580 12.386 ( 0.358 0.000 2.213) 2.241 12.423 ( 0.499 0.000 1.215) 1.314 12.447 ( 5.253 0.000 -2.170) 5.684 12.629 ( 1.942 0.000 -0.458) 1.995 12.668 ( -4.438 0.000 6.286) 7.695 12.678 ( 0.248 0.000 -2.322) 2.335 12.759 ( -7.475 0.000 7.027) 10.260 12.928 ( -3.599 0.000 0.896) 3.709 12.966 ( 2.402 0.000 -1.927) 3.079 13.066 ( 4.266 0.000 -2.836) 5.123 13.136 ( -1.458 0.000 0.171) 1.468 13.229 ( 3.536 0.000 1.580) 3.873 13.308 ( 6.877 0.000 2.568) 7.340 13.340 ( -9.495 0.000 -2.842) 9.911 13.543 ( -0.964 0.000 -0.559) 1.114 13.633 ( 2.589 0.000 -4.700) 5.366 13.724 ( -1.193 0.000 -1.317) 1.777 13.776 ( 2.695 0.000 -3.255) 4.226 13.963 ( -8.050 0.000 -6.165) 10.140 14.057 ( -7.034 0.000 -0.157) 7.036 14.276 ( 2.342 0.000 0.729) 2.453 14.383 ( -3.408 0.000 1.489) 3.719 14.398 ( 2.786 0.000 0.642) 2.859 14.481 ( 6.771 0.000 -5.799) 8.914 14.667 ( 3.545 0.000 2.839) 4.542 14.820 ( -6.868 0.000 4.688) 8.315 15.013 ( -2.073 0.000 -3.604) 4.158 15.093 ( 0.159 0.000 5.244) 5.246 15.339 ( 1.434 0.000 0.914) 1.701 15.373 ( 1.825 0.000 1.838) 2.590 15.472 ( -2.459 0.000 1.664) 2.969 15.484 ( -3.256 0.000 -0.506) 3.295 15.638 ( -2.985 0.000 7.457) 8.032 15.781 ( -3.440 0.000 0.373) 3.460 15.897 ( 1.071 0.000 -0.791) 1.331 16.184 ( -3.707 0.000 -2.577) 4.515 16.241 ( 4.704 0.000 4.035) 6.198 16.402 ( 1.344 0.000 -1.256) 1.840 16.625 ( 5.496 0.000 3.027) 6.275 16.754 ( 7.883 0.000 -4.499) 9.076 16.865 ( 5.032 0.000 -2.262) 5.517 16.935 ( 8.430 0.000 0.274) 8.435 19.116 ( 1.741 0.000 -0.528) 1.819 19.233 ( 2.388 0.000 1.639) 2.897 19.532 ( -2.529 0.000 3.333) 4.184 19.611 ( -1.144 0.000 -3.970) 4.132 20.935 ( 2.479 0.000 2.791) 3.733 20.965 ( 1.967 0.000 -3.384) 3.914 21.143 ( -3.548 0.000 1.335) 3.791 21.253 ( -4.296 0.000 -1.134) 4.443 24.969 ( -0.052 0.000 1.875) 1.876 25.020 ( -0.206 0.000 -0.203) 0.289 25.364 ( 0.920 0.000 0.739) 1.180 25.562 ( 3.885 0.000 6.157) 7.280 25.792 ( -0.284 0.000 0.418) 0.505 25.848 ( 0.323 0.000 -2.098) 2.123 26.098 ( -1.259 0.000 0.198) 1.275 26.114 ( -0.456 0.000 1.775) 1.833 26.579 ( -0.066 0.000 -6.591) 6.591 26.817 ( 2.736 0.000 -8.610) 9.034 27.045 ( 1.074 0.000 -1.714) 2.023 27.072 ( 5.895 0.000 1.201) 6.016 27.136 ( 7.028 0.000 12.798) 14.601 27.220 ( -2.316 0.000 6.201) 6.619 27.320 ( 6.963 0.000 3.699) 7.884 27.368 ( 0.439 0.000 -3.832) 3.857 27.399 ( -1.209 0.000 1.852) 2.211 27.475 ( -0.071 0.000 -0.585) 0.589 27.746 ( -2.940 0.000 -8.638) 9.125 27.897 ( 3.211 0.000 4.991) 5.934 27.910 ( -2.770 0.000 -0.040) 2.770 28.134 ( 0.886 0.000 -2.059) 2.241 28.176 ( -2.023 0.000 -2.311) 3.071 28.352 ( -1.363 0.000 -0.283) 1.392 28.462 ( -2.618 0.000 -1.013) 2.807 28.528 ( -2.045 0.000 1.787) 2.715 28.704 ( -5.353 0.000 5.490) 7.668 28.716 ( -7.492 0.000 -4.087) 8.534 28.829 ( -19.393 0.000 -0.280) 19.395 28.868 ( -7.746 0.000 3.183) 8.374 29.252 ( -2.604 0.000 -2.492) 3.604 29.522 ( 5.806 0.000 -1.717) 6.055 29.792 ( 6.834 0.000 -0.497) 6.852 29.915 ( -3.046 0.000 0.873) 3.168 30.134 ( -3.371 0.000 7.367) 8.102 30.264 ( -3.951 0.000 -0.395) 3.971 30.319 ( -4.410 0.000 -7.679) 8.855 30.930 ( 2.663 0.000 5.711) 6.302 31.007 ( 15.560 0.000 -1.400) 15.623 31.395 ( 8.937 0.000 -10.603) 13.867 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 12.979 0.000 -0.910) 13.011 1.850 ( 3.052 0.000 -10.699) 11.126 1.937 ( 12.297 0.000 10.144) 15.941 2.336 ( -0.663 0.000 -3.334) 3.400 2.360 ( -5.235 0.000 -3.993) 6.584 2.423 ( -13.963 0.000 5.285) 14.929 2.587 ( 12.052 0.000 -12.770) 17.559 2.654 ( 6.734 0.000 -11.426) 13.263 3.034 ( -6.738 0.000 -2.288) 7.116 3.124 ( 0.837 0.000 -1.077) 1.364 3.238 ( -4.230 0.000 -3.749) 5.652 3.410 ( -0.773 0.000 1.996) 2.141 3.492 ( -2.589 0.000 0.862) 2.728 3.547 ( 0.507 0.000 -1.343) 1.435 3.594 ( -2.289 0.000 2.602) 3.465 3.653 ( -6.589 0.000 7.138) 9.714 3.681 ( 2.303 0.000 6.502) 6.898 3.758 ( -3.637 0.000 -2.939) 4.676 3.820 ( 4.236 0.000 6.745) 7.965 3.895 ( 4.462 0.000 0.695) 4.515 4.040 ( -7.466 0.000 8.696) 11.461 4.167 ( -0.324 0.000 0.737) 0.805 4.225 ( 1.302 0.000 -1.406) 1.916 4.241 ( 9.841 0.000 6.165) 11.613 4.364 ( -1.426 0.000 0.508) 1.514 4.454 ( 9.630 0.000 1.726) 9.783 4.537 ( 0.240 0.000 -1.418) 1.438 4.594 ( 3.812 0.000 -3.669) 5.291 4.594 ( 2.700 0.000 0.787) 2.812 4.647 ( -0.584 0.000 1.099) 1.245 4.701 ( 6.149 0.000 -4.376) 7.547 4.816 ( 0.952 0.000 0.854) 1.279 4.838 ( -3.632 0.000 0.089) 3.633 4.865 ( 2.086 0.000 4.528) 4.985 4.929 ( 5.306 0.000 -1.300) 5.463 5.007 ( -9.735 0.000 2.121) 9.964 5.070 ( 0.464 0.000 3.541) 3.571 5.117 ( -10.182 0.000 -10.712) 14.779 5.141 ( -10.134 0.000 -4.143) 10.948 5.300 ( 3.379 0.000 -2.665) 4.303 5.363 ( 1.904 0.000 -1.059) 2.179 5.367 ( -5.009 0.000 -5.899) 7.739 5.389 ( 1.597 0.000 0.121) 1.601 5.506 ( 5.183 0.000 -0.467) 5.204 5.613 ( 6.302 0.000 -5.619) 8.443 5.710 ( -5.738 0.000 2.666) 6.327 5.743 ( -1.855 0.000 2.027) 2.747 5.855 ( -1.151 0.000 -4.186) 4.342 5.958 ( 1.625 0.000 1.542) 2.240 5.973 ( -3.676 0.000 -3.293) 4.935 5.979 ( -3.393 0.000 0.243) 3.401 6.038 ( 3.625 0.000 -6.350) 7.312 6.052 ( 7.693 0.000 -5.299) 9.341 6.155 ( 2.530 0.000 2.612) 3.636 6.194 ( -5.225 0.000 3.503) 6.291 6.424 ( 1.750 0.000 4.784) 5.094 6.468 ( -3.279 0.000 7.406) 8.100 6.535 ( -4.937 0.000 0.538) 4.966 6.648 ( -0.124 0.000 3.728) 3.730 6.775 ( 2.689 0.000 8.234) 8.662 6.777 ( -3.405 0.000 5.959) 6.863 6.875 ( -4.758 0.000 2.722) 5.482 6.901 ( -1.120 0.000 0.421) 1.196 6.912 ( -3.062 0.000 -4.891) 5.770 7.048 ( -0.110 0.000 0.957) 0.963 7.176 ( 2.113 0.000 -4.468) 4.942 7.259 ( 5.535 0.000 0.133) 5.537 7.336 ( 2.391 0.000 -7.912) 8.265 7.461 ( -1.299 0.000 3.835) 4.049 7.485 ( -0.289 0.000 -5.337) 5.345 7.540 ( -3.203 0.000 5.046) 5.977 7.675 ( 5.607 0.000 -8.753) 10.395 7.925 ( 0.050 0.000 -0.029) 0.058 7.956 ( 2.310 0.000 1.058) 2.541 8.034 ( -7.494 0.000 3.731) 8.371 8.171 ( -6.357 0.000 3.999) 7.510 8.246 ( -3.705 0.000 -0.393) 3.726 8.340 ( -7.508 0.000 0.285) 7.513 8.344 ( 3.140 0.000 -3.980) 5.070 8.435 ( 1.945 0.000 -0.835) 2.117 8.653 ( -1.485 0.000 -4.529) 4.766 8.688 ( 2.413 0.000 6.797) 7.212 8.781 ( -5.694 0.000 -8.224) 10.003 8.856 ( -0.179 0.000 0.507) 0.538 8.930 ( 3.557 0.000 -4.030) 5.375 9.050 ( -4.251 0.000 3.930) 5.789 9.144 ( 0.831 0.000 5.458) 5.521 9.300 ( 2.697 0.000 2.337) 3.569 9.321 ( 6.825 0.000 -1.781) 7.054 9.419 ( 1.179 0.000 1.661) 2.037 9.448 ( -4.595 0.000 1.282) 4.770 9.666 ( -2.558 0.000 1.899) 3.186 9.719 ( -4.299 0.000 3.537) 5.567 9.811 ( 3.141 0.000 -4.704) 5.657 9.843 ( 3.368 0.000 -3.145) 4.608 9.889 ( -1.617 0.000 -2.335) 2.841 10.051 ( 3.476 0.000 0.417) 3.501 10.205 ( 6.976 0.000 -0.859) 7.028 10.220 ( -1.121 0.000 1.412) 1.803 10.410 ( -1.385 0.000 1.714) 2.204 10.629 ( -5.167 0.000 -0.155) 5.169 10.735 ( -2.902 0.000 -2.174) 3.627 10.748 ( 2.999 0.000 -3.934) 4.947 10.930 ( 1.697 0.000 -2.784) 3.260 10.978 ( -2.002 0.000 0.888) 2.191 11.022 ( 2.350 0.000 2.308) 3.294 11.032 ( -4.169 0.000 9.579) 10.447 11.179 ( -2.815 0.000 3.024) 4.132 11.867 ( 1.145 0.000 -0.278) 1.178 11.975 ( 1.333 0.000 0.839) 1.575 11.993 ( -2.020 0.000 -1.471) 2.499 12.163 ( 4.198 0.000 2.174) 4.727 12.263 ( -2.833 0.000 -3.026) 4.145 12.309 ( 2.404 0.000 -1.434) 2.799 12.347 ( 1.206 0.000 -2.781) 3.031 12.455 ( 0.339 0.000 -4.456) 4.469 12.467 ( -0.619 0.000 -1.434) 1.561 12.596 ( -2.540 0.000 -3.242) 4.118 12.652 ( -5.088 0.000 5.114) 7.214 12.664 ( 0.410 0.000 0.915) 1.003 12.784 ( 0.224 0.000 8.556) 8.559 12.882 ( -3.996 0.000 2.796) 4.877 13.008 ( 3.111 0.000 -0.947) 3.252 13.101 ( -1.132 0.000 -2.200) 2.474 13.106 ( -1.532 0.000 -2.258) 2.729 13.119 ( -0.078 0.000 -4.518) 4.519 13.358 ( 3.295 0.000 4.914) 5.916 13.456 ( 4.483 0.000 1.480) 4.721 13.551 ( 0.073 0.000 1.565) 1.566 13.565 ( -0.537 0.000 -3.969) 4.005 13.717 ( 1.962 0.000 -0.768) 2.106 13.759 ( 0.983 0.000 -2.491) 2.678 13.888 ( 1.813 0.000 -2.260) 2.897 13.918 ( -7.940 0.000 1.938) 8.173 14.214 ( -3.275 0.000 -9.916) 10.443 14.309 ( -4.142 0.000 -1.435) 4.384 14.499 ( 3.022 0.000 -7.008) 7.632 14.523 ( 4.900 0.000 7.525) 8.980 14.714 ( -8.947 0.000 1.557) 9.082 14.770 ( 3.369 0.000 4.072) 5.285 15.012 ( 1.699 0.000 2.584) 3.093 15.158 ( 1.848 0.000 3.043) 3.560 15.363 ( -0.391 0.000 1.427) 1.480 15.415 ( 0.160 0.000 1.314) 1.324 15.433 ( -4.270 0.000 1.596) 4.558 15.436 ( -0.641 0.000 -0.798) 1.023 15.667 ( -2.375 0.000 7.323) 7.699 15.727 ( -2.272 0.000 -1.125) 2.535 15.936 ( 1.551 0.000 3.399) 3.736 16.111 ( -0.761 0.000 -3.247) 3.335 16.330 ( 2.833 0.000 -2.109) 3.532 16.374 ( -1.074 0.000 -2.578) 2.793 16.740 ( 2.558 0.000 4.130) 4.858 16.816 ( 5.739 0.000 -6.643) 8.779 16.908 ( 2.211 0.000 0.854) 2.370 17.062 ( 5.441 0.000 0.873) 5.511 19.144 ( 1.165 0.000 1.078) 1.587 19.280 ( -0.104 0.000 1.637) 1.640 19.509 ( -3.219 0.000 2.552) 4.108 19.576 ( 0.746 0.000 -1.383) 1.572 20.962 ( 2.244 0.000 -3.595) 4.238 20.983 ( -0.410 0.000 2.225) 2.262 21.116 ( -1.930 0.000 2.767) 3.374 21.194 ( -1.317 0.000 -0.349) 1.362 24.979 ( -0.461 0.000 1.053) 1.150 25.018 ( 0.246 0.000 -0.874) 0.908 25.378 ( 0.705 0.000 -0.992) 1.217 25.622 ( -0.637 0.000 -0.712) 0.956 25.799 ( -0.095 0.000 1.723) 1.726 25.852 ( 0.762 0.000 1.077) 1.320 26.078 ( -0.713 0.000 -0.798) 1.071 26.110 ( -1.323 0.000 0.570) 1.440 26.543 ( 2.690 0.000 -4.210) 4.996 26.771 ( 3.242 0.000 -9.998) 10.510 27.030 ( 0.097 0.000 -1.510) 1.513 27.144 ( 2.482 0.000 -1.641) 2.976 27.264 ( -0.818 0.000 6.338) 6.390 27.306 ( -1.462 0.000 4.973) 5.184 27.369 ( -4.367 0.000 2.566) 5.065 27.418 ( 3.263 0.000 0.439) 3.292 27.466 ( 2.762 0.000 1.569) 3.176 27.487 ( 4.380 0.000 3.706) 5.737 27.678 ( 3.572 0.000 -2.189) 4.190 27.878 ( -1.470 0.000 1.586) 2.162 27.968 ( 1.714 0.000 -1.319) 2.163 28.066 ( -2.103 0.000 -2.154) 3.010 28.183 ( 2.536 0.000 -0.935) 2.703 28.340 ( 0.007 0.000 -2.451) 2.451 28.416 ( -0.544 0.000 0.140) 0.562 28.477 ( -3.894 0.000 -0.084) 3.895 28.553 ( -12.420 0.000 2.047) 12.587 28.603 ( -3.020 0.000 0.825) 3.131 28.656 ( -5.005 0.000 1.404) 5.198 28.781 ( -5.880 0.000 6.093) 8.468 29.196 ( -0.961 0.000 -3.579) 3.706 29.617 ( 5.835 0.000 0.120) 5.836 29.803 ( 0.908 0.000 -10.308) 10.348 29.880 ( -1.334 0.000 -0.509) 1.428 30.133 ( -5.520 0.000 7.500) 9.313 30.189 ( -2.389 0.000 -4.085) 4.732 30.285 ( 0.218 0.000 10.103) 10.106 31.018 ( 0.520 0.000 4.053) 4.086 31.201 ( 10.264 0.000 -5.552) 11.670 31.416 ( 5.531 0.000 -8.636) 10.256 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -3.662 0.000 5.899) 6.943 2.082 ( 26.070 0.000 15.615) 30.389 2.164 ( 1.526 0.000 7.885) 8.031 2.278 ( -0.592 0.000 12.074) 12.089 2.368 ( 3.846 0.000 11.362) 11.995 2.561 ( 15.307 0.000 8.719) 17.616 2.694 ( 3.580 0.000 -3.501) 5.007 2.750 ( 17.325 0.000 -13.040) 21.684 2.994 ( 2.121 0.000 3.447) 4.047 3.129 ( 5.817 0.000 -2.410) 6.297 3.189 ( 0.630 0.000 0.001) 0.630 3.351 ( -6.837 0.000 -0.655) 6.868 3.423 ( -5.111 0.000 -2.823) 5.839 3.551 ( 1.656 0.000 -0.884) 1.877 3.606 ( -5.014 0.000 8.247) 9.651 3.613 ( -0.974 0.000 6.017) 6.095 3.741 ( 1.742 0.000 1.857) 2.546 3.807 ( 3.655 0.000 0.913) 3.767 3.824 ( -6.927 0.000 -4.061) 8.030 3.898 ( -15.985 0.000 8.747) 18.221 4.009 ( 8.697 0.000 4.889) 9.977 4.138 ( -4.541 0.000 1.226) 4.704 4.218 ( -2.238 0.000 3.613) 4.250 4.263 ( -12.289 0.000 -5.414) 13.429 4.371 ( -1.672 0.000 -2.073) 2.664 4.457 ( -17.810 0.000 -1.988) 17.920 4.512 ( -4.662 0.000 -1.625) 4.937 4.562 ( -0.293 0.000 -2.954) 2.969 4.603 ( 9.192 0.000 -3.574) 9.862 4.672 ( -0.133 0.000 -6.087) 6.089 4.686 ( -3.719 0.000 -5.478) 6.621 4.737 ( -4.796 0.000 -6.216) 7.851 4.798 ( -0.823 0.000 -0.020) 0.823 4.903 ( 5.730 0.000 -4.891) 7.533 4.917 ( 1.407 0.000 3.986) 4.227 4.933 ( 4.007 0.000 -1.306) 4.214 5.021 ( 4.177 0.000 -0.566) 4.215 5.145 ( 4.492 0.000 4.406) 6.292 5.155 ( 1.075 0.000 6.379) 6.469 5.245 ( 5.418 0.000 -8.565) 10.135 5.355 ( 6.364 0.000 0.392) 6.376 5.375 ( 1.079 0.000 -0.479) 1.181 5.436 ( 2.458 0.000 2.176) 3.283 5.570 ( 0.633 0.000 6.182) 6.214 5.608 ( -1.236 0.000 -7.850) 7.947 5.688 ( 0.383 0.000 -8.194) 8.203 5.742 ( 2.512 0.000 2.072) 3.257 5.803 ( 1.503 0.000 -4.900) 5.125 5.875 ( -1.720 0.000 -4.168) 4.509 5.937 ( -0.021 0.000 -0.126) 0.128 5.998 ( 2.951 0.000 -1.780) 3.446 6.011 ( -3.477 0.000 -2.521) 4.295 6.079 ( 3.761 0.000 -6.011) 7.091 6.197 ( 1.666 0.000 -2.749) 3.214 6.232 ( -0.031 0.000 9.942) 9.942 6.382 ( -8.077 0.000 -3.061) 8.638 6.423 ( -6.525 0.000 -2.953) 7.162 6.469 ( -2.250 0.000 5.129) 5.601 6.623 ( -6.816 0.000 2.573) 7.285 6.704 ( -7.747 0.000 -8.663) 11.622 6.724 ( -4.290 0.000 -1.804) 4.654 6.824 ( -6.893 0.000 4.188) 8.066 6.824 ( -3.306 0.000 2.771) 4.314 6.949 ( 7.733 0.000 -0.815) 7.776 7.045 ( -0.170 0.000 0.118) 0.206 7.132 ( 0.588 0.000 -5.652) 5.682 7.310 ( 1.817 0.000 -6.334) 6.590 7.329 ( 0.863 0.000 0.548) 1.022 7.538 ( 5.206 0.000 2.655) 5.844 7.548 ( 2.451 0.000 7.586) 7.972 7.580 ( 3.033 0.000 5.874) 6.611 7.687 ( 4.276 0.000 -5.811) 7.215 7.905 ( 1.473 0.000 -6.747) 6.906 7.910 ( -5.751 0.000 -2.777) 6.386 8.026 ( 3.439 0.000 3.394) 4.831 8.067 ( -8.057 0.000 2.686) 8.493 8.219 ( -0.023 0.000 -2.477) 2.477 8.281 ( 0.540 0.000 4.568) 4.600 8.362 ( 2.680 0.000 -4.126) 4.920 8.479 ( 2.407 0.000 0.237) 2.418 8.583 ( -5.403 0.000 -2.547) 5.973 8.618 ( 2.567 0.000 -1.643) 3.048 8.881 ( 1.776 0.000 -0.356) 1.811 8.922 ( 9.174 0.000 6.393) 11.181 8.931 ( 0.692 0.000 -2.503) 2.597 9.009 ( -4.555 0.000 3.599) 5.805 9.224 ( -0.041 0.000 8.206) 8.206 9.296 ( -1.159 0.000 -4.002) 4.166 9.345 ( -3.403 0.000 -2.610) 4.288 9.393 ( -5.989 0.000 1.684) 6.221 9.465 ( 5.185 0.000 2.540) 5.773 9.637 ( -2.154 0.000 3.186) 3.846 9.676 ( -2.313 0.000 0.331) 2.336 9.850 ( 3.299 0.000 -3.007) 4.463 9.898 ( 4.305 0.000 2.482) 4.970 9.906 ( 3.843 0.000 1.716) 4.209 10.133 ( 2.392 0.000 2.754) 3.648 10.247 ( 0.750 0.000 5.037) 5.093 10.281 ( 1.291 0.000 0.239) 1.313 10.389 ( -2.400 0.000 0.878) 2.556 10.592 ( 0.274 0.000 0.871) 0.913 10.742 ( 3.795 0.000 2.592) 4.595 10.748 ( 2.245 0.000 -4.837) 5.333 10.947 ( 2.230 0.000 1.698) 2.803 10.990 ( -7.422 0.000 3.965) 8.414 11.058 ( 5.057 0.000 6.130) 7.946 11.071 ( -3.016 0.000 1.793) 3.509 11.108 ( -4.555 0.000 -0.832) 4.631 11.877 ( 0.462 0.000 0.291) 0.546 11.958 ( 0.410 0.000 -2.456) 2.490 12.010 ( 0.050 0.000 1.626) 1.627 12.146 ( -4.778 0.000 -4.529) 6.584 12.248 ( 4.146 0.000 0.430) 4.168 12.300 ( 0.337 0.000 -5.438) 5.448 12.322 ( 0.037 0.000 -5.053) 5.053 12.394 ( -1.997 0.000 -4.288) 4.731 12.400 ( -1.719 0.000 -5.202) 5.479 12.501 ( -1.524 0.000 -8.213) 8.353 12.627 ( -4.143 0.000 7.481) 8.551 12.693 ( -0.080 0.000 2.817) 2.818 12.836 ( -6.092 0.000 8.104) 10.139 12.891 ( 4.164 0.000 1.826) 4.546 13.006 ( -0.967 0.000 -3.085) 3.233 13.063 ( 0.372 0.000 -3.921) 3.939 13.071 ( 3.363 0.000 -0.230) 3.371 13.170 ( 3.796 0.000 -1.427) 4.055 13.394 ( -2.932 0.000 -3.078) 4.250 13.460 ( 1.034 0.000 7.819) 7.887 13.550 ( -2.349 0.000 1.770) 2.941 13.712 ( 2.952 0.000 4.467) 5.354 13.768 ( 6.353 0.000 2.184) 6.718 13.782 ( 2.126 0.000 2.866) 3.569 13.866 ( 0.281 0.000 3.719) 3.730 13.897 ( 1.126 0.000 -2.365) 2.620 14.027 ( -2.283 0.000 -15.059) 15.231 14.237 ( -0.421 0.000 -4.504) 4.524 14.468 ( 2.506 0.000 -7.167) 7.592 14.528 ( -7.844 0.000 -1.993) 8.093 14.702 ( 3.531 0.000 5.852) 6.834 14.843 ( 0.386 0.000 3.329) 3.352 15.089 ( 1.359 0.000 7.084) 7.214 15.183 ( -2.957 0.000 1.856) 3.491 15.354 ( -2.548 0.000 0.427) 2.583 15.376 ( -0.805 0.000 0.440) 0.918 15.382 ( -1.062 0.000 -1.994) 2.259 15.464 ( 0.833 0.000 1.976) 2.145 15.683 ( -0.186 0.000 -3.415) 3.420 15.703 ( -0.579 0.000 5.592) 5.622 16.003 ( 0.053 0.000 6.372) 6.372 16.104 ( 1.274 0.000 0.392) 1.333 16.249 ( -3.457 0.000 -6.443) 7.312 16.381 ( 2.068 0.000 -2.427) 3.188 16.756 ( -3.552 0.000 0.955) 3.678 16.819 ( 2.718 0.000 -6.797) 7.320 16.981 ( 2.415 0.000 4.343) 4.969 17.123 ( 0.445 0.000 0.632) 0.773 19.175 ( 0.615 0.000 2.324) 2.404 19.259 ( -1.929 0.000 -0.948) 2.149 19.486 ( -1.917 0.000 2.084) 2.832 19.605 ( 2.126 0.000 1.201) 2.442 20.966 ( -2.381 0.000 0.146) 2.386 20.987 ( 3.919 0.000 -1.786) 4.307 21.123 ( -1.616 0.000 3.996) 4.311 21.196 ( 0.459 0.000 1.024) 1.123 24.975 ( -0.742 0.000 0.368) 0.828 25.006 ( -0.342 0.000 -1.483) 1.522 25.371 ( 0.187 0.000 -1.582) 1.593 25.540 ( -3.357 0.000 -6.978) 7.744 25.825 ( 0.070 0.000 3.245) 3.246 25.892 ( 1.050 0.000 3.718) 3.863 26.057 ( -0.211 0.000 -1.816) 1.828 26.086 ( -1.036 0.000 -0.968) 1.418 26.571 ( 3.132 0.000 -1.637) 3.534 26.736 ( 4.338 0.000 -9.824) 10.739 27.034 ( 1.660 0.000 -0.493) 1.732 27.101 ( -3.493 0.000 -5.378) 6.413 27.298 ( -2.643 0.000 4.918) 5.583 27.316 ( -3.456 0.000 2.274) 4.137 27.320 ( -1.255 0.000 3.396) 3.621 27.424 ( 0.389 0.000 -0.999) 1.072 27.435 ( -2.853 0.000 -2.745) 3.959 27.546 ( -2.606 0.000 2.254) 3.446 27.802 ( 6.034 0.000 4.716) 7.658 27.898 ( 0.164 0.000 4.704) 4.707 27.901 ( -3.707 0.000 -7.336) 8.220 28.111 ( 4.021 0.000 3.645) 5.427 28.226 ( 1.733 0.000 0.632) 1.844 28.299 ( -0.008 0.000 -2.780) 2.780 28.428 ( 0.873 0.000 -0.871) 1.233 28.445 ( 0.056 0.000 1.938) 1.939 28.459 ( -1.819 0.000 3.680) 4.105 28.577 ( -2.095 0.000 -3.013) 3.670 28.646 ( 2.774 0.000 6.321) 6.903 28.803 ( -1.232 0.000 9.647) 9.726 29.143 ( 0.785 0.000 -6.042) 6.093 29.676 ( 2.408 0.000 -15.354) 15.542 29.702 ( -0.623 0.000 3.242) 3.301 29.857 ( -0.379 0.000 -1.084) 1.148 30.098 ( -5.553 0.000 4.839) 7.366 30.188 ( 5.119 0.000 0.916) 5.200 30.415 ( -0.466 0.000 14.106) 14.114 31.006 ( -4.751 0.000 0.842) 4.825 31.215 ( 0.694 0.000 -9.800) 9.824 31.446 ( 6.794 0.000 -6.721) 9.557 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -26.611 0.000 4.621) 27.009 2.043 ( -26.393 0.000 8.879) 27.846 2.512 ( 3.071 0.000 -6.310) 7.018 2.570 ( 14.649 0.000 8.033) 16.707 2.665 ( 14.258 0.000 9.833) 17.320 2.758 ( 8.953 0.000 3.703) 9.689 2.875 ( 11.702 0.000 -6.234) 13.259 2.928 ( 11.617 0.000 -4.218) 12.359 3.141 ( -9.196 0.000 -13.040) 15.957 3.183 ( 5.393 0.000 16.789) 17.634 3.224 ( 1.876 0.000 -1.416) 2.350 3.285 ( 0.325 0.000 -4.433) 4.445 3.287 ( 1.755 0.000 -0.910) 1.977 3.447 ( -20.627 0.000 -4.829) 21.185 3.591 ( -7.153 0.000 -0.298) 7.159 3.596 ( -11.768 0.000 0.283) 11.772 3.654 ( -1.415 0.000 -0.773) 1.612 3.693 ( -5.743 0.000 7.470) 9.422 3.742 ( 1.690 0.000 3.632) 4.006 3.838 ( -2.567 0.000 1.623) 3.037 3.966 ( -10.593 0.000 -12.038) 16.035 4.012 ( 0.704 0.000 5.334) 5.381 4.115 ( -2.069 0.000 4.584) 5.029 4.219 ( -3.237 0.000 1.100) 3.419 4.243 ( -7.899 0.000 -1.094) 7.974 4.292 ( 1.606 0.000 8.660) 8.808 4.467 ( -4.590 0.000 -9.261) 10.336 4.510 ( -1.370 0.000 0.724) 1.549 4.533 ( -3.210 0.000 1.209) 3.430 4.667 ( 7.682 0.000 5.791) 9.620 4.683 ( -0.009 0.000 -3.121) 3.121 4.735 ( 4.172 0.000 -2.667) 4.952 4.792 ( 0.320 0.000 -5.045) 5.055 4.833 ( -6.856 0.000 1.889) 7.111 5.023 ( 7.638 0.000 -0.155) 7.639 5.028 ( 4.964 0.000 -8.695) 10.012 5.092 ( 7.690 0.000 4.200) 8.762 5.207 ( -1.522 0.000 4.121) 4.394 5.265 ( 8.675 0.000 -1.521) 8.807 5.371 ( -2.228 0.000 -1.732) 2.822 5.379 ( 14.490 0.000 -10.011) 17.612 5.483 ( -1.762 0.000 -2.406) 2.982 5.483 ( 4.005 0.000 -1.001) 4.128 5.530 ( 3.818 0.000 -0.951) 3.935 5.646 ( 4.748 0.000 -3.275) 5.768 5.713 ( 0.516 0.000 14.792) 14.801 5.776 ( 2.203 0.000 2.653) 3.449 5.831 ( 8.452 0.000 -1.928) 8.669 5.835 ( 0.264 0.000 -1.918) 1.936 5.883 ( -6.882 0.000 -2.943) 7.485 5.985 ( 5.144 0.000 2.222) 5.603 5.990 ( -5.765 0.000 -9.872) 11.432 6.051 ( 2.555 0.000 0.291) 2.571 6.112 ( -1.992 0.000 -9.395) 9.604 6.286 ( -0.283 0.000 -5.336) 5.343 6.309 ( 0.004 0.000 3.496) 3.496 6.332 ( 2.181 0.000 3.831) 4.408 6.415 ( -9.757 0.000 4.904) 10.920 6.517 ( -5.948 0.000 -4.769) 7.624 6.518 ( -5.516 0.000 0.772) 5.570 6.725 ( 5.928 0.000 3.450) 6.859 6.786 ( -5.148 0.000 7.591) 9.172 6.826 ( -0.381 0.000 2.963) 2.987 7.026 ( -2.996 0.000 0.046) 2.997 7.066 ( 6.904 0.000 -1.367) 7.038 7.119 ( 3.042 0.000 -4.176) 5.166 7.282 ( 3.072 0.000 -5.245) 6.078 7.324 ( -2.563 0.000 1.675) 3.061 7.580 ( -1.260 0.000 2.166) 2.506 7.621 ( 3.275 0.000 -3.508) 4.799 7.710 ( 0.235 0.000 0.918) 0.947 7.713 ( 4.503 0.000 -4.545) 6.398 7.805 ( -3.973 0.000 2.132) 4.509 7.919 ( 10.002 0.000 -3.063) 10.460 7.971 ( -5.573 0.000 1.398) 5.746 8.147 ( 1.573 0.000 6.111) 6.310 8.206 ( 4.855 0.000 -4.885) 6.888 8.371 ( 2.892 0.000 -2.607) 3.893 8.378 ( 3.455 0.000 2.991) 4.569 8.513 ( 0.662 0.000 2.227) 2.323 8.526 ( -0.359 0.000 1.726) 1.763 8.687 ( 6.329 0.000 -3.290) 7.133 8.890 ( 1.697 0.000 -3.213) 3.633 8.915 ( -0.381 0.000 -0.503) 0.631 8.972 ( -4.428 0.000 4.248) 6.136 9.061 ( 2.222 0.000 0.025) 2.222 9.184 ( -4.497 0.000 -6.769) 8.126 9.242 ( -6.583 0.000 -0.926) 6.648 9.308 ( -0.016 0.000 8.341) 8.341 9.335 ( -2.650 0.000 2.073) 3.365 9.541 ( 1.029 0.000 2.607) 2.803 9.626 ( -3.016 0.000 -0.600) 3.075 9.703 ( 5.981 0.000 2.847) 6.624 9.857 ( 1.303 0.000 -3.642) 3.868 9.984 ( 2.758 0.000 0.857) 2.888 10.026 ( 6.343 0.000 1.300) 6.475 10.157 ( -4.083 0.000 3.405) 5.317 10.266 ( -1.034 0.000 -1.196) 1.580 10.316 ( 0.189 0.000 5.419) 5.422 10.359 ( -1.193 0.000 -0.106) 1.198 10.613 ( 0.280 0.000 0.355) 0.452 10.736 ( 1.838 0.000 -4.017) 4.418 10.866 ( -7.267 0.000 -1.766) 7.479 10.895 ( 7.737 0.000 6.480) 10.092 10.942 ( -7.429 0.000 -1.971) 7.686 11.051 ( -3.726 0.000 -1.428) 3.990 11.066 ( 5.999 0.000 7.673) 9.739 11.210 ( 4.130 0.000 6.341) 7.568 11.900 ( 1.626 0.000 0.950) 1.883 11.966 ( 3.056 0.000 -2.551) 3.980 11.997 ( -3.843 0.000 2.849) 4.784 12.021 ( -5.165 0.000 -3.180) 6.065 12.224 ( -1.852 0.000 -6.041) 6.319 12.237 ( -1.614 0.000 -2.480) 2.959 12.300 ( -1.137 0.000 -8.394) 8.471 12.315 ( -3.272 0.000 -2.509) 4.123 12.376 ( 6.787 0.000 0.442) 6.801 12.418 ( 0.267 0.000 -5.434) 5.441 12.662 ( -0.419 0.000 6.257) 6.271 12.709 ( -0.215 0.000 1.299) 1.317 12.819 ( -5.026 0.000 7.842) 9.314 12.949 ( -0.784 0.000 -3.065) 3.164 12.974 ( 2.648 0.000 1.992) 3.314 13.038 ( 1.604 0.000 -4.130) 4.431 13.136 ( 2.744 0.000 -2.788) 3.912 13.233 ( 5.262 0.000 1.236) 5.405 13.333 ( -3.142 0.000 0.257) 3.152 13.476 ( -7.472 0.000 5.720) 9.409 13.569 ( 0.270 0.000 5.615) 5.621 13.660 ( -4.211 0.000 -3.761) 5.646 13.731 ( -7.236 0.000 -2.297) 7.592 13.831 ( -3.489 0.000 -3.167) 4.713 13.886 ( 5.943 0.000 -12.000) 13.391 14.044 ( 10.272 0.000 7.789) 12.891 14.047 ( 10.214 0.000 3.090) 10.672 14.212 ( 3.736 0.000 -6.365) 7.380 14.404 ( -1.760 0.000 -2.997) 3.476 14.478 ( 5.770 0.000 -2.402) 6.250 14.782 ( -0.365 0.000 3.673) 3.691 14.828 ( -3.517 0.000 -1.212) 3.720 15.121 ( -5.112 0.000 3.813) 6.378 15.184 ( -0.085 0.000 7.335) 7.335 15.343 ( 0.757 0.000 0.045) 0.759 15.380 ( 2.647 0.000 1.626) 3.106 15.387 ( 0.553 0.000 0.893) 1.051 15.489 ( -0.643 0.000 2.604) 2.682 15.657 ( 2.813 0.000 -5.922) 6.556 15.776 ( 3.648 0.000 4.342) 5.671 16.059 ( -1.208 0.000 6.694) 6.802 16.135 ( -3.498 0.000 -3.465) 4.924 16.140 ( -0.492 0.000 5.233) 5.257 16.372 ( 0.477 0.000 -4.102) 4.130 16.657 ( -6.341 0.000 -2.743) 6.909 16.785 ( -0.418 0.000 -3.354) 3.380 17.036 ( -1.492 0.000 3.486) 3.792 17.084 ( -4.743 0.000 -0.934) 4.834 19.221 ( -0.962 0.000 -0.879) 1.303 19.221 ( 1.478 0.000 4.092) 4.351 19.489 ( -0.454 0.000 2.589) 2.628 19.657 ( 2.657 0.000 0.690) 2.746 20.916 ( -2.555 0.000 -1.421) 2.923 21.051 ( 4.518 0.000 -0.396) 4.536 21.125 ( -2.973 0.000 3.722) 4.763 21.209 ( 0.155 0.000 -0.008) 0.156 24.965 ( -0.890 0.000 0.561) 1.053 24.978 ( -1.036 0.000 -1.277) 1.644 25.355 ( -0.752 0.000 -0.622) 0.976 25.400 ( -3.954 0.000 -7.428) 8.415 25.864 ( -0.023 0.000 4.545) 4.545 25.956 ( 1.233 0.000 4.721) 4.879 26.034 ( 0.224 0.000 -2.687) 2.696 26.057 ( -0.596 0.000 -2.227) 2.305 26.592 ( 1.228 0.000 -2.912) 3.160 26.724 ( 5.618 0.000 -9.769) 11.269 26.947 ( -6.292 0.000 -5.337) 8.251 27.071 ( 1.745 0.000 1.345) 2.203 27.252 ( -4.814 0.000 2.908) 5.624 27.310 ( -5.499 0.000 5.291) 7.631 27.318 ( -2.269 0.000 2.930) 3.706 27.371 ( -1.503 0.000 -0.107) 1.506 27.432 ( 1.570 0.000 -0.085) 1.572 27.521 ( -2.460 0.000 2.721) 3.668 27.769 ( -2.497 0.000 -7.258) 7.675 27.918 ( 3.233 0.000 2.349) 3.996 27.979 ( 1.600 0.000 7.945) 8.105 28.140 ( 0.023 0.000 -3.312) 3.312 28.246 ( -0.702 0.000 4.129) 4.188 28.289 ( -1.489 0.000 -1.180) 1.900 28.400 ( -0.812 0.000 -4.231) 4.308 28.410 ( -2.566 0.000 -0.068) 2.567 28.559 ( 4.272 0.000 -5.036) 6.604 28.657 ( 14.212 0.000 6.069) 15.453 28.773 ( 3.810 0.000 6.441) 7.484 28.890 ( -1.142 0.000 8.245) 8.324 29.134 ( 5.661 0.000 -4.685) 7.348 29.538 ( 0.161 0.000 -14.194) 14.195 29.726 ( -0.862 0.000 3.663) 3.763 29.846 ( 0.359 0.000 -1.026) 1.087 30.046 ( -3.823 0.000 1.025) 3.958 30.369 ( 10.894 0.000 5.181) 12.063 30.527 ( -2.864 0.000 13.150) 13.458 30.888 ( -8.155 0.000 -0.726) 8.187 31.067 ( -5.732 0.000 -10.133) 11.642 31.486 ( 6.039 0.000 -7.892) 9.937 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -32.197 0.000 9.790) 33.652 1.484 ( -40.450 0.000 -6.739) 41.008 2.249 ( -51.318 0.000 -4.282) 51.496 2.468 ( -1.252 0.000 -15.104) 15.156 2.471 ( -14.789 0.000 -16.004) 21.791 2.830 ( 9.885 0.000 -5.224) 11.180 2.907 ( -5.834 0.000 -7.692) 9.654 2.994 ( 11.940 0.000 -10.693) 16.028 3.013 ( 0.451 0.000 -2.885) 2.920 3.080 ( -2.638 0.000 2.644) 3.736 3.244 ( -1.093 0.000 0.747) 1.323 3.286 ( -2.207 0.000 6.256) 6.634 3.389 ( -5.458 0.000 -4.630) 7.158 3.444 ( -1.428 0.000 4.147) 4.386 3.476 ( -4.072 0.000 -3.270) 5.223 3.503 ( 6.799 0.000 3.567) 7.678 3.600 ( 4.883 0.000 -12.299) 13.233 3.720 ( -2.842 0.000 -9.682) 10.091 3.784 ( -0.256 0.000 3.197) 3.207 3.817 ( 0.781 0.000 3.667) 3.749 3.829 ( 4.937 0.000 5.531) 7.414 4.095 ( -0.449 0.000 10.295) 10.304 4.155 ( -3.267 0.000 4.966) 5.944 4.187 ( -1.214 0.000 -0.049) 1.215 4.224 ( 0.959 0.000 8.194) 8.250 4.373 ( 4.236 0.000 1.016) 4.356 4.410 ( 0.533 0.000 2.096) 2.163 4.489 ( -0.291 0.000 6.906) 6.913 4.612 ( 1.582 0.000 7.515) 7.680 4.631 ( -4.240 0.000 0.349) 4.254 4.667 ( -4.929 0.000 -6.276) 7.980 4.783 ( -1.291 0.000 2.478) 2.794 4.797 ( 8.846 0.000 -6.986) 11.272 4.868 ( 6.012 0.000 3.244) 6.831 5.015 ( 2.604 0.000 -0.671) 2.689 5.120 ( 2.307 0.000 -0.481) 2.356 5.196 ( -2.167 0.000 1.987) 2.940 5.289 ( 4.724 0.000 5.841) 7.512 5.334 ( 1.642 0.000 -2.758) 3.210 5.364 ( 3.759 0.000 -4.969) 6.231 5.435 ( 3.210 0.000 -6.308) 7.078 5.478 ( 1.592 0.000 -3.625) 3.959 5.491 ( 5.817 0.000 -4.609) 7.421 5.528 ( -1.701 0.000 5.052) 5.330 5.729 ( -3.950 0.000 -11.786) 12.430 5.776 ( 2.728 0.000 -0.172) 2.733 5.777 ( -4.791 0.000 5.201) 7.071 5.840 ( 0.586 0.000 -0.624) 0.856 5.844 ( 5.299 0.000 -7.194) 8.935 5.862 ( 3.817 0.000 6.520) 7.555 5.942 ( 4.573 0.000 -3.104) 5.527 6.076 ( 4.814 0.000 -3.513) 5.960 6.128 ( 1.501 0.000 8.208) 8.344 6.164 ( 4.991 0.000 6.819) 8.451 6.273 ( 2.707 0.000 -3.755) 4.629 6.350 ( -0.726 0.000 8.689) 8.719 6.372 ( 7.205 0.000 -0.961) 7.269 6.438 ( 2.756 0.000 -0.313) 2.774 6.452 ( -3.714 0.000 2.321) 4.380 6.452 ( 0.772 0.000 9.037) 9.069 6.753 ( -6.657 0.000 6.101) 9.029 6.836 ( 0.338 0.000 -0.146) 0.368 6.931 ( -7.570 0.000 -0.630) 7.596 6.938 ( 7.243 0.000 9.387) 11.856 7.123 ( 2.313 0.000 -2.603) 3.482 7.145 ( 3.668 0.000 -1.964) 4.161 7.286 ( -0.444 0.000 -2.119) 2.166 7.351 ( 9.088 0.000 -4.230) 10.024 7.555 ( -0.592 0.000 -3.441) 3.492 7.587 ( 1.155 0.000 -10.132) 10.197 7.668 ( -2.327 0.000 0.303) 2.347 7.747 ( 0.305 0.000 -0.511) 0.595 7.837 ( 3.438 0.000 4.713) 5.834 7.883 ( -5.781 0.000 1.714) 6.030 8.091 ( 8.132 0.000 -0.955) 8.188 8.118 ( -1.812 0.000 -4.840) 5.168 8.299 ( 0.381 0.000 5.490) 5.503 8.413 ( 4.052 0.000 -1.901) 4.476 8.439 ( 2.286 0.000 1.230) 2.596 8.553 ( 1.418 0.000 2.653) 3.008 8.602 ( 6.993 0.000 0.719) 7.030 8.724 ( 2.606 0.000 -3.588) 4.435 8.898 ( 3.181 0.000 -4.160) 5.237 8.906 ( -1.105 0.000 0.207) 1.124 8.936 ( -3.989 0.000 2.757) 4.849 9.039 ( -3.785 0.000 0.651) 3.840 9.070 ( 0.593 0.000 -6.993) 7.018 9.113 ( -6.919 0.000 0.354) 6.928 9.321 ( -2.082 0.000 2.441) 3.208 9.352 ( -2.261 0.000 4.006) 4.600 9.572 ( -2.852 0.000 -0.112) 2.854 9.574 ( 0.184 0.000 1.232) 1.245 9.839 ( 1.588 0.000 -2.773) 3.195 9.852 ( 6.812 0.000 1.356) 6.945 10.013 ( 1.303 0.000 -1.153) 1.740 10.032 ( -11.114 0.000 -1.124) 11.171 10.102 ( 3.613 0.000 1.346) 3.856 10.259 ( 3.831 0.000 -6.224) 7.309 10.335 ( 1.431 0.000 -8.192) 8.316 10.349 ( -1.707 0.000 3.416) 3.818 10.598 ( -2.011 0.000 0.310) 2.035 10.737 ( 0.908 0.000 -2.798) 2.941 10.749 ( -1.927 0.000 -2.282) 2.987 10.829 ( -3.468 0.000 -0.829) 3.566 10.960 ( -4.645 0.000 -1.014) 4.754 11.096 ( 6.944 0.000 5.672) 8.966 11.254 ( 5.355 0.000 5.741) 7.851 11.325 ( 1.863 0.000 9.384) 9.567 11.899 ( -4.587 0.000 -2.653) 5.299 11.917 ( -5.949 0.000 3.320) 6.813 11.952 ( 1.899 0.000 -1.543) 2.447 12.017 ( 4.553 0.000 -1.516) 4.799 12.167 ( 0.461 0.000 -0.623) 0.775 12.179 ( -3.006 0.000 -0.794) 3.109 12.226 ( -0.165 0.000 -3.320) 3.324 12.280 ( -0.782 0.000 2.229) 2.362 12.386 ( 1.715 0.000 -4.588) 4.898 12.458 ( 1.500 0.000 -1.020) 1.814 12.714 ( 0.232 0.000 3.501) 3.509 12.726 ( 0.377 0.000 2.515) 2.543 12.814 ( -4.119 0.000 6.289) 7.518 12.958 ( 3.604 0.000 0.171) 3.608 13.000 ( -0.220 0.000 0.289) 0.363 13.054 ( 2.856 0.000 -0.988) 3.022 13.109 ( -2.100 0.000 -2.003) 2.902 13.258 ( -6.586 0.000 -1.264) 6.706 13.279 ( -3.945 0.000 1.035) 4.078 13.454 ( 4.096 0.000 -0.972) 4.210 13.514 ( -7.182 0.000 -4.822) 8.651 13.556 ( -3.047 0.000 2.181) 3.747 13.676 ( 1.376 0.000 1.464) 2.009 13.720 ( -4.768 0.000 -3.343) 5.823 13.884 ( 7.010 0.000 -11.082) 13.113 14.197 ( 2.168 0.000 -0.034) 2.169 14.223 ( 4.376 0.000 3.669) 5.711 14.236 ( 6.779 0.000 -4.600) 8.192 14.439 ( 5.975 0.000 1.523) 6.166 14.607 ( 1.768 0.000 3.013) 3.493 14.771 ( -1.626 0.000 -0.872) 1.845 14.777 ( 5.053 0.000 -0.847) 5.123 15.096 ( -2.400 0.000 2.284) 3.313 15.210 ( -0.932 0.000 1.432) 1.709 15.371 ( 1.581 0.000 1.560) 2.222 15.402 ( 0.158 0.000 0.477) 0.503 15.494 ( -2.969 0.000 6.198) 6.873 15.512 ( 5.238 0.000 4.983) 7.230 15.668 ( 5.449 0.000 -4.751) 7.230 15.905 ( 7.399 0.000 0.783) 7.441 16.072 ( -1.199 0.000 -0.873) 1.483 16.093 ( 0.026 0.000 2.769) 2.770 16.218 ( -0.962 0.000 14.965) 14.996 16.319 ( -0.774 0.000 -5.060) 5.119 16.508 ( -5.961 0.000 -4.937) 7.740 16.752 ( -3.693 0.000 4.221) 5.608 16.964 ( -6.240 0.000 -1.350) 6.384 16.981 ( -7.636 0.000 1.089) 7.713 19.214 ( 0.999 0.000 -0.825) 1.296 19.316 ( 4.183 0.000 4.939) 6.473 19.519 ( -0.237 0.000 4.450) 4.456 19.705 ( 2.400 0.000 -0.071) 2.401 20.853 ( -2.510 0.000 -2.195) 3.335 21.087 ( -4.450 0.000 1.438) 4.677 21.124 ( 3.488 0.000 0.674) 3.553 21.191 ( -0.881 0.000 -2.950) 3.079 24.958 ( -0.961 0.000 1.179) 1.521 24.965 ( -0.438 0.000 3.390) 3.418 25.274 ( -3.676 0.000 -3.909) 5.366 25.336 ( -1.881 0.000 1.748) 2.568 25.914 ( 0.121 0.000 5.054) 5.056 25.995 ( 1.033 0.000 -3.374) 3.529 26.014 ( -1.192 0.000 -3.709) 3.896 26.039 ( 0.591 0.000 4.729) 4.765 26.545 ( -2.100 0.000 -3.428) 4.020 26.712 ( 5.194 0.000 -13.874) 14.814 26.846 ( -1.527 0.000 -0.497) 1.606 27.093 ( -1.834 0.000 1.577) 2.419 27.236 ( -0.503 0.000 6.319) 6.339 27.244 ( -8.465 0.000 6.027) 10.392 27.291 ( -2.583 0.000 2.108) 3.334 27.394 ( 0.655 0.000 4.397) 4.446 27.469 ( 1.422 0.000 0.542) 1.522 27.510 ( -0.790 0.000 1.160) 1.404 27.676 ( -1.000 0.000 -5.609) 5.698 27.982 ( 1.563 0.000 2.514) 2.960 28.066 ( -1.094 0.000 3.140) 3.325 28.112 ( 1.139 0.000 -2.602) 2.840 28.152 ( -5.707 0.000 -7.012) 9.041 28.243 ( -4.328 0.000 0.841) 4.409 28.361 ( 3.315 0.000 -4.345) 5.465 28.438 ( 2.892 0.000 2.029) 3.533 28.608 ( 5.898 0.000 -2.811) 6.533 28.884 ( 4.815 0.000 3.289) 5.831 28.916 ( -2.254 0.000 6.076) 6.480 28.967 ( 12.916 0.000 4.930) 13.825 29.235 ( 7.839 0.000 -1.193) 7.929 29.411 ( 0.101 0.000 -11.189) 11.190 29.758 ( -0.595 0.000 5.183) 5.217 29.848 ( 1.162 0.000 -1.851) 2.185 29.995 ( -1.524 0.000 -1.921) 2.452 30.533 ( -8.866 0.000 5.111) 10.233 30.602 ( 7.890 0.000 5.694) 9.730 30.784 ( -2.436 0.000 2.938) 3.817 30.834 ( -9.317 0.000 -9.769) 13.500 31.482 ( 4.159 0.000 -11.896) 12.602 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -37.582 0.000 -5.772) 38.022 0.773 ( -31.832 0.000 22.611) 39.046 1.465 ( -58.554 0.000 44.257) 73.398 2.187 ( -3.847 0.000 -0.689) 3.908 2.361 ( 7.859 0.000 -20.046) 21.532 2.695 ( -1.091 0.000 -11.011) 11.065 2.883 ( 8.934 0.000 -11.889) 14.871 2.954 ( -1.896 0.000 -0.861) 2.083 3.018 ( 2.565 0.000 -8.801) 9.167 3.070 ( -4.636 0.000 7.965) 9.216 3.207 ( -1.080 0.000 -0.398) 1.151 3.223 ( -7.354 0.000 -0.064) 7.354 3.235 ( -0.786 0.000 -5.776) 5.829 3.482 ( 4.109 0.000 1.853) 4.508 3.515 ( 0.901 0.000 -11.366) 11.401 3.596 ( 6.739 0.000 4.237) 7.961 3.636 ( 3.145 0.000 7.789) 8.400 3.669 ( 4.546 0.000 -1.807) 4.892 3.782 ( -3.519 0.000 -1.738) 3.925 3.895 ( 2.409 0.000 3.786) 4.487 3.957 ( 4.851 0.000 3.784) 6.152 4.056 ( -8.910 0.000 -0.204) 8.913 4.177 ( -0.468 0.000 1.281) 1.364 4.202 ( 5.185 0.000 -0.899) 5.263 4.302 ( -1.271 0.000 6.037) 6.170 4.419 ( -6.607 0.000 5.007) 8.290 4.421 ( 0.255 0.000 -3.248) 3.258 4.543 ( -0.489 0.000 4.548) 4.575 4.589 ( 2.871 0.000 5.599) 6.292 4.609 ( -4.396 0.000 0.792) 4.467 4.711 ( 1.641 0.000 5.675) 5.907 4.825 ( 3.265 0.000 1.689) 3.676 4.911 ( 8.383 0.000 -2.823) 8.846 4.914 ( 1.080 0.000 -0.772) 1.328 5.078 ( -3.104 0.000 -3.168) 4.435 5.087 ( -1.148 0.000 2.671) 2.907 5.172 ( -1.286 0.000 1.556) 2.018 5.287 ( 0.720 0.000 -4.825) 4.879 5.294 ( -3.543 0.000 -0.022) 3.543 5.395 ( 4.546 0.000 -6.944) 8.300 5.421 ( 2.156 0.000 -8.125) 8.406 5.502 ( -2.063 0.000 2.301) 3.091 5.512 ( -0.828 0.000 -8.862) 8.901 5.518 ( 0.866 0.000 -0.271) 0.908 5.663 ( 4.154 0.000 5.025) 6.520 5.684 ( -5.744 0.000 -0.788) 5.798 5.805 ( 4.004 0.000 -10.192) 10.951 5.817 ( 0.761 0.000 -4.164) 4.233 5.875 ( 7.154 0.000 -5.256) 8.877 5.961 ( -1.705 0.000 1.720) 2.422 6.079 ( 10.134 0.000 11.161) 15.076 6.145 ( 4.243 0.000 -1.008) 4.361 6.165 ( -4.229 0.000 6.875) 8.072 6.287 ( 3.247 0.000 -7.648) 8.308 6.300 ( 2.690 0.000 1.456) 3.059 6.327 ( -4.634 0.000 2.219) 5.138 6.448 ( -1.974 0.000 8.682) 8.904 6.491 ( 5.882 0.000 -2.250) 6.297 6.569 ( -2.787 0.000 11.708) 12.035 6.611 ( 7.878 0.000 4.048) 8.857 6.704 ( -5.228 0.000 6.295) 8.183 6.819 ( -4.995 0.000 5.013) 7.077 6.844 ( 3.828 0.000 -3.070) 4.907 7.015 ( 0.259 0.000 -3.795) 3.804 7.145 ( -0.569 0.000 -4.001) 4.041 7.216 ( -5.515 0.000 -14.902) 15.890 7.252 ( 6.323 0.000 8.708) 10.761 7.375 ( -0.898 0.000 -6.832) 6.891 7.477 ( -0.744 0.000 -6.696) 6.737 7.501 ( 1.508 0.000 -7.242) 7.397 7.653 ( -9.699 0.000 -0.905) 9.741 7.707 ( 3.573 0.000 1.837) 4.018 7.838 ( -1.433 0.000 3.955) 4.206 7.955 ( 4.024 0.000 1.172) 4.191 8.071 ( 0.555 0.000 1.724) 1.811 8.141 ( -0.913 0.000 -0.134) 0.923 8.359 ( 3.484 0.000 11.507) 12.022 8.438 ( 0.916 0.000 -2.416) 2.584 8.483 ( 0.927 0.000 1.071) 1.417 8.609 ( 4.579 0.000 -2.824) 5.380 8.712 ( 1.900 0.000 0.840) 2.077 8.764 ( 3.748 0.000 0.800) 3.833 8.856 ( -5.290 0.000 1.039) 5.391 8.893 ( -2.774 0.000 6.468) 7.038 8.958 ( 6.471 0.000 -1.465) 6.635 8.975 ( -2.650 0.000 0.163) 2.655 9.051 ( 2.063 0.000 -3.884) 4.398 9.070 ( 3.457 0.000 -1.257) 3.679 9.301 ( -3.424 0.000 3.310) 4.763 9.337 ( -1.749 0.000 1.335) 2.201 9.542 ( 1.473 0.000 -1.692) 2.243 9.547 ( -5.415 0.000 2.460) 5.948 9.807 ( -8.985 0.000 -2.528) 9.334 9.885 ( 2.286 0.000 -1.002) 2.496 9.922 ( 3.784 0.000 -4.582) 5.943 10.015 ( 0.912 0.000 -1.982) 2.182 10.024 ( -9.521 0.000 -33.376) 34.707 10.242 ( -1.314 0.000 -2.464) 2.792 10.335 ( -3.101 0.000 4.380) 5.367 10.337 ( 7.621 0.000 6.727) 10.166 10.621 ( 6.808 0.000 6.066) 9.118 10.690 ( 0.357 0.000 -3.119) 3.139 10.774 ( 1.237 0.000 1.663) 2.072 10.816 ( 0.613 0.000 2.980) 3.042 10.896 ( -2.810 0.000 1.856) 3.368 11.187 ( 2.662 0.000 -3.333) 4.265 11.320 ( -1.257 0.000 -3.168) 3.409 11.379 ( -3.021 0.000 0.806) 3.127 11.823 ( -1.997 0.000 -0.500) 2.059 11.990 ( 2.625 0.000 1.937) 3.262 12.033 ( 10.392 0.000 23.073) 25.305 12.079 ( 3.139 0.000 -0.880) 3.260 12.161 ( 0.481 0.000 3.086) 3.123 12.194 ( 0.820 0.000 2.690) 2.812 12.212 ( -1.270 0.000 0.524) 1.374 12.295 ( -1.030 0.000 2.525) 2.727 12.401 ( 4.746 0.000 -1.346) 4.933 12.416 ( -2.655 0.000 -2.889) 3.924 12.730 ( -0.888 0.000 0.955) 1.304 12.765 ( 0.460 0.000 2.670) 2.709 12.790 ( -3.261 0.000 2.260) 3.967 12.998 ( -2.350 0.000 0.057) 2.350 13.002 ( -1.161 0.000 2.502) 2.758 13.063 ( -2.619 0.000 -0.745) 2.722 13.103 ( 1.808 0.000 4.174) 4.548 13.114 ( -2.604 0.000 -1.172) 2.855 13.229 ( -3.022 0.000 2.139) 3.702 13.350 ( -6.504 0.000 -2.829) 7.092 13.457 ( 1.567 0.000 -4.300) 4.576 13.627 ( -2.086 0.000 -2.172) 3.011 13.647 ( 5.492 0.000 2.140) 5.894 13.734 ( 5.535 0.000 0.504) 5.558 13.914 ( 6.453 0.000 -6.074) 8.862 14.190 ( -1.293 0.000 -1.096) 1.695 14.242 ( -7.137 0.000 4.838) 8.623 14.318 ( 4.544 0.000 -1.544) 4.799 14.545 ( -2.194 0.000 -5.382) 5.812 14.548 ( 3.877 0.000 -1.822) 4.284 14.771 ( 4.633 0.000 -1.028) 4.746 14.947 ( 7.001 0.000 2.004) 7.282 15.054 ( -3.280 0.000 -2.601) 4.186 15.208 ( 0.051 0.000 0.141) 0.150 15.386 ( -0.708 0.000 -1.508) 1.666 15.428 ( 0.806 0.000 3.566) 3.656 15.483 ( -3.731 0.000 2.399) 4.436 15.571 ( 1.150 0.000 -3.281) 3.477 15.772 ( 3.222 0.000 6.084) 6.884 15.994 ( 4.628 0.000 -4.650) 6.560 16.084 ( 4.253 0.000 -1.129) 4.400 16.121 ( 0.113 0.000 0.044) 0.121 16.286 ( 0.902 0.000 -0.603) 1.085 16.370 ( -2.058 0.000 -7.586) 7.860 16.404 ( 6.751 0.000 7.231) 9.892 16.693 ( -7.966 0.000 2.164) 8.254 16.821 ( -10.620 0.000 0.611) 10.638 16.967 ( 3.177 0.000 0.723) 3.259 19.227 ( 1.964 0.000 -2.412) 3.111 19.407 ( -0.403 0.000 -6.398) 6.411 19.500 ( -5.954 0.000 -6.835) 9.064 19.730 ( 0.872 0.000 -0.848) 1.216 20.812 ( -0.438 0.000 1.332) 1.402 21.014 ( -3.990 0.000 -0.410) 4.011 21.160 ( 2.223 0.000 5.640) 6.062 21.180 ( 1.848 0.000 1.316) 2.268 24.951 ( -1.134 0.000 0.755) 1.362 25.111 ( 10.070 0.000 9.621) 13.927 25.216 ( -1.431 0.000 1.963) 2.429 25.363 ( 0.691 0.000 12.747) 12.766 25.923 ( -1.912 0.000 -3.726) 4.188 25.975 ( 2.062 0.000 -3.897) 4.409 25.989 ( 0.713 0.000 3.791) 3.858 26.106 ( 0.920 0.000 6.051) 6.120 26.502 ( -0.740 0.000 1.089) 1.317 26.505 ( -11.271 0.000 -23.879) 26.405 26.859 ( 1.108 0.000 2.210) 2.472 27.057 ( -2.559 0.000 0.527) 2.612 27.145 ( -8.485 0.000 3.055) 9.018 27.253 ( -1.545 0.000 -0.557) 1.643 27.392 ( 3.753 0.000 3.445) 5.094 27.442 ( -1.923 0.000 -1.662) 2.542 27.500 ( 4.612 0.000 9.869) 10.893 27.549 ( 0.991 0.000 -0.317) 1.040 27.626 ( 2.007 0.000 -2.199) 2.977 27.900 ( -0.703 0.000 3.968) 4.030 28.036 ( 0.548 0.000 2.327) 2.391 28.116 ( 1.152 0.000 -4.419) 4.566 28.117 ( -1.552 0.000 -0.326) 1.586 28.177 ( -2.604 0.000 3.818) 4.622 28.405 ( 4.370 0.000 -1.765) 4.713 28.513 ( 2.447 0.000 2.028) 3.178 28.687 ( 4.856 0.000 0.176) 4.860 28.984 ( 2.513 0.000 3.579) 4.373 29.046 ( 9.522 0.000 19.789) 21.961 29.181 ( 8.881 0.000 -0.547) 8.898 29.329 ( 1.330 0.000 -6.627) 6.759 29.338 ( 5.124 0.000 -1.659) 5.386 29.775 ( -5.670 0.000 -17.142) 18.055 29.796 ( -2.200 0.000 5.643) 6.056 29.956 ( -2.878 0.000 3.312) 4.388 30.376 ( -8.898 0.000 -1.040) 8.958 30.589 ( -6.727 0.000 -7.780) 10.285 30.688 ( -2.842 0.000 4.225) 5.092 30.856 ( 4.479 0.000 1.847) 4.845 31.308 ( -8.612 0.000 -22.109) 23.727 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -1.906 30.887 17.573) 35.588 1.222 ( 16.385 20.242 37.311) 45.500 1.899 ( -8.011 34.903 40.339) 53.941 2.118 ( 12.066 -14.243 21.596) 28.545 2.375 ( 9.625 -3.217 -14.446) 17.654 2.583 ( 4.847 -12.674 -2.301) 13.763 2.736 ( 3.562 1.902 -2.852) 4.944 2.850 ( 1.633 -9.486 4.020) 10.432 2.944 ( 2.649 -0.466 -6.601) 7.128 3.041 ( 6.661 -1.399 1.506) 6.971 3.246 ( -0.179 2.899 -3.755) 4.747 3.302 ( -2.489 -2.755 5.410) 6.561 3.408 ( -3.923 2.177 1.362) 4.689 3.497 ( 3.510 -6.049 -4.435) 8.282 3.560 ( 2.524 6.529 0.033) 7.000 3.647 ( -5.308 5.065 6.769) 9.982 3.693 ( -2.917 0.339 0.156) 2.941 3.758 ( -4.804 0.201 2.582) 5.458 3.813 ( 2.848 8.072 -2.732) 8.985 3.853 ( 3.086 1.740 -2.043) 4.090 3.926 ( 5.294 -8.156 -7.323) 12.173 3.987 ( -2.706 0.657 -1.312) 3.078 4.202 ( 1.298 1.731 4.672) 5.149 4.233 ( 4.883 -2.802 3.503) 6.631 4.289 ( -4.162 -2.773 2.684) 5.676 4.348 ( -4.316 -1.723 0.056) 4.648 4.461 ( 2.776 -5.093 4.756) 7.501 4.538 ( -3.043 -0.713 -2.986) 4.322 4.559 ( -4.421 -3.773 5.788) 8.202 4.659 ( -1.620 5.880 2.716) 6.677 4.775 ( -1.397 1.257 -8.819) 9.017 4.832 ( -7.373 -0.284 -2.043) 7.657 4.883 ( 0.708 -1.962 3.856) 4.384 5.006 ( 3.269 1.180 -2.585) 4.331 5.014 ( 4.802 1.077 -2.940) 5.733 5.099 ( -1.022 -0.315 -0.678) 1.267 5.142 ( -5.819 3.690 0.483) 6.907 5.153 ( 5.186 2.581 1.703) 6.038 5.281 ( -2.998 -2.378 -7.431) 8.359 5.286 ( -1.167 -2.697 -2.986) 4.189 5.339 ( 6.887 0.501 -3.644) 7.808 5.452 ( -1.650 2.009 -5.493) 6.077 5.542 ( 0.119 3.842 -3.371) 5.113 5.561 ( 1.437 0.802 -5.532) 5.772 5.686 ( -3.223 -2.734 -1.030) 4.351 5.718 ( 1.973 7.219 -4.989) 8.994 5.776 ( 2.458 0.160 -1.637) 2.958 5.815 ( 1.260 -0.076 -4.241) 4.425 5.919 ( 0.016 -3.510 0.440) 3.538 5.968 ( 2.092 3.401 -4.387) 5.932 6.064 ( -1.622 0.890 -5.510) 5.812 6.123 ( -3.924 2.184 -1.383) 4.699 6.188 ( -1.315 -3.153 -0.188) 3.421 6.201 ( 2.189 -0.929 -2.413) 3.388 6.270 ( 0.824 -3.985 -2.493) 4.772 6.347 ( -2.911 -4.524 -4.395) 6.947 6.408 ( -3.514 -0.765 6.057) 7.044 6.463 ( -7.634 -0.002 -0.260) 7.639 6.563 ( 1.115 -7.343 -3.220) 8.095 6.702 ( 1.072 -2.212 5.536) 6.057 6.722 ( -6.304 -2.254 8.842) 11.090 6.828 ( -2.837 -0.108 2.893) 4.053 6.889 ( 0.677 -1.566 -0.201) 1.718 6.998 ( -1.378 4.637 1.807) 5.164 7.060 ( -0.706 1.026 -1.699) 2.107 7.209 ( -0.460 -2.847 2.715) 3.961 7.287 ( 4.528 0.599 -1.004) 4.677 7.388 ( 4.628 4.134 -1.332) 6.346 7.425 ( -2.219 -3.702 -2.803) 5.146 7.524 ( 5.307 -1.413 1.542) 5.704 7.605 ( 5.190 6.146 -7.430) 10.951 7.813 ( -1.688 1.955 -5.049) 5.671 7.910 ( -1.262 0.303 -1.546) 2.019 8.027 ( -2.623 5.513 5.195) 8.016 8.063 ( 0.450 -2.840 -2.691) 3.938 8.088 ( 0.625 2.032 0.096) 2.128 8.419 ( -0.928 -0.753 -1.506) 1.923 8.473 ( -1.799 -2.452 3.965) 4.997 8.595 ( -1.333 2.935 4.156) 5.260 8.689 ( 2.863 1.413 0.661) 3.260 8.738 ( -0.814 -0.153 0.752) 1.119 8.818 ( -0.776 2.968 0.145) 3.071 8.859 ( 0.120 5.225 -3.324) 6.194 8.912 ( -1.539 -1.702 -2.275) 3.231 8.981 ( -0.906 -1.394 2.212) 2.767 8.992 ( -3.845 1.142 -2.667) 4.817 9.080 ( 9.270 -1.311 0.136) 9.363 9.170 ( 6.348 -1.402 -3.059) 7.184 9.267 ( 0.956 -2.505 1.706) 3.178 9.333 ( -4.157 0.002 -0.130) 4.159 9.398 ( -1.404 -4.168 6.166) 7.574 9.493 ( -3.396 2.726 2.553) 5.048 9.625 ( 5.818 -1.938 0.442) 6.148 9.754 ( -2.665 5.528 -0.163) 6.139 9.796 ( 2.811 -7.255 -4.964) 9.229 9.971 ( 0.454 -0.407 -1.659) 1.768 10.083 ( 2.261 2.336 -1.006) 3.403 10.142 ( -1.131 -3.695 -3.067) 4.933 10.332 ( -1.472 -1.677 5.317) 5.766 10.390 ( 1.164 -2.791 3.362) 4.522 10.584 ( 3.264 -5.487 1.864) 6.651 10.693 ( 1.435 -3.954 2.932) 5.127 10.801 ( -0.100 -7.069 6.398) 9.535 10.821 ( -0.239 -1.969 2.926) 3.535 10.935 ( 3.371 2.210 3.245) 5.175 11.105 ( -0.725 -3.297 -2.837) 4.410 11.222 ( -3.395 -0.344 -4.463) 5.619 11.301 ( -1.606 -0.019 -3.636) 3.975 11.856 ( -0.230 1.214 1.368) 1.843 11.933 ( -2.322 -0.698 1.562) 2.884 12.071 ( -0.314 -5.057 2.000) 5.447 12.134 ( -1.343 -1.661 -0.894) 2.315 12.190 ( 4.204 5.797 6.402) 9.606 12.253 ( -1.142 3.318 2.909) 4.558 12.298 ( -3.863 1.404 0.624) 4.157 12.374 ( 4.829 3.540 5.310) 8.003 12.480 ( 0.662 2.899 -1.050) 3.154 12.528 ( -0.423 0.337 -2.462) 2.521 12.693 ( 0.392 2.817 -0.249) 2.854 12.740 ( 2.490 -7.008 0.739) 7.474 12.796 ( -1.065 -2.520 -2.041) 3.413 12.918 ( -7.102 -1.251 -1.901) 7.458 13.006 ( -1.023 1.494 1.278) 2.216 13.059 ( 3.077 0.302 2.216) 3.804 13.170 ( -0.190 -0.327 -1.270) 1.326 13.192 ( -2.648 2.218 2.355) 4.181 13.230 ( -4.543 1.480 -0.684) 4.827 13.381 ( 4.051 -5.216 3.006) 7.256 13.446 ( 3.033 -0.364 4.493) 5.433 13.663 ( -1.712 -1.780 -1.599) 2.942 13.692 ( 7.985 3.401 -3.050) 9.200 13.846 ( 2.552 -6.759 -4.634) 8.583 13.971 ( 6.556 2.559 7.041) 9.955 14.177 ( -1.889 -4.799 0.870) 5.230 14.287 ( -2.871 10.772 -0.910) 11.185 14.382 ( 0.167 7.772 1.591) 7.935 14.548 ( 0.730 2.474 -6.681) 7.162 14.597 ( 0.754 5.856 -6.451) 8.745 14.762 ( -5.917 -0.747 4.732) 7.613 14.959 ( 1.967 -5.790 -1.867) 6.393 15.147 ( 4.454 8.507 -10.853) 14.491 15.269 ( -3.375 3.329 -3.995) 6.199 15.352 ( 1.874 1.436 -2.410) 3.373 15.439 ( -3.453 4.390 -4.030) 6.888 15.568 ( -0.873 6.967 3.463) 7.829 15.600 ( 0.564 1.264 1.764) 2.242 15.708 ( -9.644 0.423 -0.698) 9.678 15.933 ( -0.317 -0.490 -1.203) 1.338 16.001 ( -7.915 -1.071 3.783) 8.838 16.129 ( -0.371 -9.066 2.144) 9.323 16.149 ( 3.053 -4.709 1.419) 5.789 16.256 ( 1.753 -1.210 -5.354) 5.762 16.554 ( -1.139 1.045 0.140) 1.552 16.575 ( 1.228 1.078 -2.371) 2.880 16.727 ( -1.784 3.479 -4.726) 6.133 16.733 ( -4.784 2.268 -2.497) 5.854 19.098 ( -3.456 3.954 0.762) 5.307 19.274 ( 0.450 3.830 -4.690) 6.072 19.421 ( 0.432 -5.212 2.661) 5.868 19.651 ( 0.721 -6.617 -5.512) 8.642 20.904 ( 0.258 6.099 1.864) 6.382 21.012 ( -1.192 3.780 -1.387) 4.199 21.175 ( 1.768 -3.027 1.361) 3.761 21.234 ( 0.007 -7.430 3.926) 8.404 24.950 ( -0.371 0.678 1.241) 1.462 25.041 ( -2.660 -5.494 3.742) 7.160 25.262 ( 0.571 -0.167 2.784) 2.847 25.318 ( -2.694 -2.549 4.504) 5.835 25.918 ( -0.377 3.376 -4.653) 5.761 25.964 ( -0.680 1.453 -3.310) 3.678 26.106 ( -2.894 1.520 0.946) 3.403 26.114 ( -0.233 1.086 1.839) 2.148 26.471 ( 10.179 -0.089 6.757) 12.218 26.572 ( 4.757 -1.325 1.145) 5.069 26.961 ( 0.840 3.262 2.164) 4.004 27.018 ( -2.437 -0.230 -2.103) 3.227 27.026 ( -3.960 0.802 -1.649) 4.364 27.216 ( -0.512 -3.799 3.317) 5.069 27.270 ( -3.171 -0.340 1.454) 3.505 27.407 ( 0.051 -1.056 -2.012) 2.273 27.443 ( 0.039 3.074 -0.895) 3.202 27.589 ( -0.041 0.410 -2.994) 3.023 27.752 ( -2.008 3.656 -2.554) 4.891 27.965 ( -3.457 -4.793 -2.582) 6.449 28.075 ( -1.343 4.604 0.379) 4.811 28.130 ( 0.468 3.027 -1.706) 3.506 28.262 ( 1.692 3.519 3.964) 5.565 28.327 ( 2.597 -5.350 2.189) 6.337 28.378 ( -0.813 -3.615 -0.946) 3.824 28.451 ( 1.832 -4.068 0.801) 4.533 28.733 ( -0.993 -3.579 3.500) 5.104 28.860 ( 3.081 -5.593 -0.092) 6.386 29.078 ( -8.135 2.914 6.164) 10.615 29.342 ( -0.851 3.911 -1.766) 4.375 29.369 ( 2.625 -3.225 -2.483) 4.843 29.442 ( 1.493 2.645 -3.489) 4.626 29.772 ( -4.029 1.612 2.666) 5.093 29.854 ( 17.432 -1.491 1.932) 17.602 30.007 ( -2.952 2.680 5.343) 6.667 30.172 ( -4.197 -5.315 4.472) 8.116 30.564 ( 4.217 1.041 -0.459) 4.368 30.636 ( -2.408 0.332 -0.783) 2.554 30.886 ( 0.318 0.185 -2.206) 2.236 31.054 ( 5.187 -2.821 -7.766) 9.756 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 12.221 25.932 14.973) 32.342 1.576 ( -2.284 33.081 24.072) 40.976 2.367 ( 11.943 -5.478 -10.807) 17.013 2.555 ( 11.397 0.705 -1.294) 11.492 2.599 ( 6.958 -6.920 3.325) 10.361 2.650 ( 18.431 3.869 32.255) 37.351 2.815 ( 9.447 -2.056 -5.654) 11.200 2.859 ( -1.940 4.851 -20.045) 20.715 2.984 ( 3.313 -9.142 12.556) 15.881 3.073 ( -4.240 -7.006 5.208) 9.705 3.173 ( -8.849 -3.108 -9.732) 13.515 3.243 ( -9.459 -10.888 3.406) 14.820 3.305 ( 3.410 -0.085 0.736) 3.489 3.425 ( -7.181 2.389 2.349) 7.924 3.608 ( 1.246 4.222 0.989) 4.512 3.612 ( -3.981 -5.560 -3.771) 7.809 3.702 ( 3.944 8.383 0.242) 9.268 3.733 ( 3.272 7.928 3.156) 9.139 3.857 ( 0.472 3.757 -1.698) 4.150 3.881 ( -3.309 -4.255 -2.761) 6.056 3.916 ( 4.222 -1.075 -5.057) 6.675 3.996 ( 1.945 9.000 5.137) 10.544 4.185 ( -3.254 -1.119 3.603) 4.983 4.242 ( 0.307 -1.430 -5.513) 5.704 4.326 ( 3.993 1.466 1.047) 4.380 4.384 ( -3.055 1.541 -0.030) 3.422 4.437 ( -3.441 1.132 -2.920) 4.653 4.495 ( -6.385 -5.537 -1.960) 8.675 4.517 ( -2.330 -11.597 8.698) 14.683 4.627 ( -0.811 4.230 3.036) 5.269 4.741 ( 0.516 -0.948 -3.396) 3.564 4.757 ( 4.323 -3.967 6.954) 9.099 4.926 ( -0.055 1.309 -4.760) 4.937 5.001 ( 2.777 3.486 -1.113) 4.594 5.032 ( -4.514 5.639 0.808) 7.268 5.040 ( -4.693 -2.913 -0.044) 5.524 5.080 ( 0.129 0.633 -1.920) 2.026 5.173 ( -0.008 0.473 0.098) 0.483 5.198 ( 2.917 1.520 -6.697) 7.461 5.317 ( 5.374 2.578 1.877) 6.248 5.383 ( 1.013 3.307 -6.554) 7.410 5.418 ( 1.931 -1.767 3.950) 4.739 5.517 ( -4.098 2.039 0.134) 4.579 5.600 ( 7.595 -0.449 -3.671) 8.447 5.603 ( -1.330 -0.375 -4.161) 4.384 5.684 ( -1.587 3.655 -2.495) 4.701 5.752 ( 7.614 -1.156 -7.885) 11.022 5.840 ( -1.643 0.509 -2.915) 3.385 5.895 ( -2.285 -1.581 0.229) 2.788 5.943 ( -5.070 3.971 -1.867) 6.706 5.990 ( -2.451 -1.440 -0.707) 2.929 6.002 ( -0.347 0.562 -0.283) 0.719 6.132 ( -0.021 -2.520 -6.174) 6.669 6.151 ( 0.155 6.060 -5.727) 8.340 6.279 ( 2.832 -4.208 -2.896) 5.841 6.316 ( 0.346 -5.094 -0.339) 5.117 6.383 ( -4.069 -4.138 2.602) 6.360 6.430 ( -1.018 -4.932 5.236) 7.265 6.517 ( -4.123 -5.627 1.432) 7.121 6.701 ( -3.797 -9.235 5.228) 11.271 6.748 ( -2.071 0.951 4.632) 5.162 6.814 ( -4.744 -1.357 7.828) 9.253 6.859 ( -4.677 1.202 0.869) 4.907 6.953 ( -4.620 2.433 4.534) 6.915 7.041 ( -0.561 0.804 -2.089) 2.308 7.223 ( 0.450 -1.970 -0.348) 2.050 7.338 ( -1.048 0.993 -1.206) 1.882 7.386 ( 4.695 -0.423 -1.586) 4.974 7.466 ( 2.718 3.384 -2.682) 5.102 7.616 ( 4.717 -0.078 -5.154) 6.987 7.628 ( 2.742 0.568 -0.649) 2.875 7.719 ( -0.646 3.160 -5.332) 6.232 7.897 ( 0.009 -0.685 0.718) 0.992 8.002 ( -4.966 2.627 1.581) 5.836 8.005 ( -3.789 3.506 2.717) 5.833 8.118 ( 2.704 0.469 -2.088) 3.448 8.403 ( -0.100 -4.523 -0.857) 4.604 8.456 ( -1.599 -0.304 0.544) 1.716 8.608 ( -4.266 0.197 0.999) 4.386 8.625 ( -6.695 2.329 0.543) 7.110 8.691 ( -10.160 4.983 0.437) 11.325 8.757 ( 3.690 2.088 1.639) 4.546 8.837 ( -3.724 -2.409 0.416) 4.455 8.860 ( 3.603 3.181 -5.571) 7.358 8.993 ( 3.400 3.829 -0.379) 5.134 9.053 ( 2.321 -6.474 3.664) 7.792 9.164 ( -1.275 1.279 -0.599) 1.903 9.175 ( 1.529 -0.618 -1.972) 2.571 9.277 ( -1.528 -4.545 1.086) 4.917 9.338 ( 1.279 -1.010 -0.049) 1.631 9.454 ( 0.291 -0.298 2.587) 2.620 9.500 ( 3.274 0.082 0.479) 3.310 9.729 ( -0.310 0.935 5.232) 5.324 9.745 ( 5.169 -0.556 -3.754) 6.413 9.786 ( 2.258 -4.488 -5.012) 7.097 9.993 ( 4.812 -1.365 -3.122) 5.896 10.069 ( -1.348 0.081 -1.897) 2.328 10.112 ( 0.952 2.175 -4.342) 4.949 10.326 ( -3.441 -1.441 1.570) 4.048 10.413 ( -1.172 -0.130 2.375) 2.651 10.643 ( 1.966 -2.568 -0.115) 3.236 10.732 ( -2.671 -9.478 3.432) 10.428 10.835 ( -2.400 -4.989 2.496) 6.073 10.845 ( -1.040 -5.372 5.339) 7.645 10.999 ( 0.590 1.957 -2.282) 3.063 11.102 ( 1.962 2.403 3.397) 4.600 11.141 ( -0.957 -1.694 -3.577) 4.072 11.199 ( -5.321 0.807 -3.139) 6.230 11.888 ( -0.982 -1.140 0.717) 1.666 11.901 ( 1.264 -0.303 0.616) 1.438 12.055 ( -1.532 -0.563 -0.384) 1.676 12.140 ( 1.380 -3.264 2.288) 4.219 12.218 ( -3.570 3.469 0.980) 5.073 12.266 ( -0.724 2.480 4.318) 5.032 12.348 ( 1.947 0.514 4.375) 4.816 12.426 ( -0.603 3.028 -1.246) 3.329 12.466 ( -1.295 6.384 -2.708) 7.054 12.530 ( 3.371 0.213 3.528) 4.884 12.684 ( -0.643 1.127 0.092) 1.301 12.724 ( -1.802 -2.966 -0.356) 3.489 12.785 ( -6.731 -3.045 0.661) 7.418 12.807 ( -0.596 -3.210 0.496) 3.302 13.007 ( 1.557 -1.366 -1.685) 2.670 13.091 ( -2.520 3.445 0.301) 4.278 13.164 ( -1.705 0.638 2.662) 3.225 13.176 ( -0.737 -0.707 1.722) 2.002 13.227 ( 5.398 4.685 2.320) 7.515 13.436 ( 0.558 -3.437 -2.421) 4.241 13.499 ( 1.160 -5.168 2.909) 6.043 13.547 ( -7.603 -7.366 0.422) 10.594 13.775 ( 3.600 4.039 -2.485) 5.954 13.816 ( -1.814 1.031 -1.283) 2.449 14.151 ( -3.111 -0.718 3.968) 5.093 14.160 ( 3.789 0.520 0.754) 3.898 14.288 ( 1.149 7.426 0.276) 7.520 14.394 ( -1.781 1.812 -2.081) 3.284 14.455 ( 2.052 4.846 -4.315) 6.805 14.546 ( 3.326 6.607 -7.215) 10.333 14.685 ( -7.522 1.962 4.200) 8.836 14.929 ( -1.877 -4.897 -3.561) 6.340 15.072 ( -3.224 6.224 -4.664) 8.420 15.183 ( -0.149 6.635 -3.321) 7.421 15.348 ( -0.373 1.883 0.710) 2.047 15.387 ( 0.571 4.303 -4.432) 6.203 15.561 ( -3.864 5.797 2.192) 7.304 15.595 ( -3.122 1.855 4.314) 5.639 15.630 ( 0.368 3.689 1.927) 4.179 15.880 ( -0.667 -3.996 -3.932) 5.646 15.922 ( -5.876 5.965 3.324) 9.009 16.128 ( -1.518 -9.782 1.090) 9.959 16.189 ( 1.365 1.626 1.032) 2.361 16.300 ( 5.559 -3.150 -0.425) 6.403 16.513 ( -0.065 0.302 1.486) 1.517 16.662 ( 7.961 1.556 -2.894) 8.612 16.739 ( 6.396 -2.955 0.780) 7.088 16.763 ( 4.486 -1.445 -2.428) 5.302 19.094 ( 0.930 1.955 0.141) 2.170 19.256 ( 2.200 2.553 -3.165) 4.623 19.446 ( -1.004 -4.848 3.251) 5.923 19.610 ( 0.004 -5.281 -4.268) 6.790 20.932 ( 0.805 5.276 1.719) 5.607 21.012 ( 2.402 4.403 -1.407) 5.209 21.154 ( -3.332 -3.190 0.560) 4.647 21.269 ( -0.261 -5.458 0.704) 5.510 24.962 ( 0.002 1.040 1.770) 2.053 25.023 ( -1.851 -1.545 1.780) 2.997 25.311 ( 1.006 -1.457 2.349) 2.942 25.360 ( 3.093 -3.148 4.562) 6.347 25.867 ( -1.053 4.240 -1.988) 4.800 25.919 ( -0.154 2.479 -3.036) 3.923 26.109 ( -0.064 1.073 2.233) 2.479 26.124 ( -0.722 0.700 1.655) 1.937 26.620 ( 1.903 0.092 0.950) 2.129 26.722 ( 8.025 -4.876 0.291) 9.395 26.950 ( -0.077 0.823 0.668) 1.063 26.998 ( 3.250 -0.746 -1.901) 3.838 27.022 ( 1.685 2.286 2.241) 3.617 27.218 ( -4.958 -4.655 4.993) 8.437 27.229 ( 1.124 2.531 -1.613) 3.205 27.397 ( 0.292 -3.045 -1.769) 3.533 27.449 ( 1.061 5.613 -0.171) 5.715 27.564 ( 2.262 7.440 -2.442) 8.151 27.759 ( -0.651 -3.680 2.960) 4.767 27.866 ( -1.971 -3.253 -4.534) 5.918 28.028 ( -3.301 5.465 -0.076) 6.385 28.142 ( 2.238 3.297 -0.063) 3.985 28.276 ( -1.486 2.939 -0.866) 3.405 28.333 ( -2.853 -5.016 0.406) 5.785 28.381 ( -0.335 -6.908 3.647) 7.819 28.481 ( 1.201 -1.504 -0.500) 1.989 28.713 ( -4.416 -2.967 1.858) 5.636 28.807 ( -7.948 -6.652 -0.860) 10.400 28.990 ( -7.363 4.555 5.581) 10.301 29.209 ( -10.845 -0.722 0.729) 10.893 29.340 ( -3.588 4.973 -3.400) 7.012 29.507 ( 5.100 2.652 -4.837) 7.513 29.746 ( 2.409 5.351 1.209) 5.992 29.991 ( -4.359 2.451 4.645) 6.826 30.056 ( 4.381 -4.995 -0.957) 6.713 30.185 ( -1.382 -7.704 4.334) 8.947 30.477 ( -5.938 1.195 -3.792) 7.146 30.723 ( 4.363 -5.868 1.774) 7.525 30.888 ( 8.027 5.325 -1.922) 9.822 31.208 ( 15.549 -6.492 -7.845) 18.587 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 16.274 18.492 5.831) 25.314 1.771 ( 0.825 26.746 16.359) 31.363 2.311 ( -12.130 3.697 -34.104) 36.385 2.420 ( 1.890 -0.424 -11.816) 11.974 2.481 ( -3.536 -0.236 -12.080) 12.589 2.654 ( -2.405 -4.563 -1.568) 5.391 2.703 ( -5.941 1.841 -9.754) 11.569 2.806 ( -8.369 0.160 -15.809) 17.888 2.958 ( 1.030 -10.253 -5.768) 11.809 3.169 ( -1.247 -3.293 1.181) 3.713 3.239 ( -2.417 -11.472 0.157) 11.725 3.275 ( 6.358 -8.772 11.613) 15.882 3.325 ( -1.682 -2.353 6.319) 6.949 3.508 ( 4.323 1.695 0.431) 4.663 3.545 ( 1.761 -7.470 1.124) 7.756 3.682 ( 0.938 5.634 2.548) 6.254 3.785 ( 4.355 8.271 4.348) 10.309 3.810 ( -0.479 -0.818 3.925) 4.038 3.837 ( 1.317 2.661 0.902) 3.103 3.881 ( 7.267 12.419 7.767) 16.352 3.924 ( 0.910 -3.080 -0.328) 3.229 3.973 ( -5.600 10.274 4.680) 12.602 4.201 ( 0.734 -4.353 0.563) 4.450 4.267 ( 1.650 -1.994 -7.746) 8.167 4.281 ( -0.183 2.723 4.681) 5.418 4.332 ( -1.306 -6.655 0.785) 6.827 4.430 ( 5.085 1.278 -1.425) 5.433 4.478 ( 1.181 3.767 1.991) 4.422 4.550 ( 1.908 -6.195 0.910) 6.545 4.682 ( -2.990 0.211 6.252) 6.933 4.749 ( 1.911 2.685 1.557) 3.644 4.812 ( 0.292 2.900 -4.465) 5.332 4.840 ( -2.020 4.239 -1.740) 5.008 4.959 ( -1.553 -0.670 0.551) 1.779 5.016 ( -0.403 1.121 3.185) 3.400 5.031 ( 1.025 3.594 -2.516) 4.505 5.141 ( 3.057 -5.429 4.784) 7.855 5.200 ( -2.197 -1.342 -1.524) 2.992 5.210 ( 1.801 2.106 -2.448) 3.697 5.311 ( -2.980 2.263 0.079) 3.743 5.357 ( 2.955 1.539 -1.603) 3.697 5.462 ( -2.316 -2.115 0.088) 3.138 5.500 ( -1.893 2.735 -6.360) 7.177 5.551 ( 1.153 -0.603 -1.993) 2.380 5.605 ( -3.564 7.239 -6.518) 10.372 5.716 ( 2.260 -5.059 4.437) 7.098 5.740 ( 2.799 -2.149 3.383) 4.888 5.794 ( -2.854 -2.160 -3.107) 4.739 5.858 ( 8.060 0.015 -5.942) 10.014 5.960 ( 0.647 0.798 3.315) 3.470 5.995 ( -1.649 -0.007 3.967) 4.296 6.019 ( 1.178 -0.199 -0.588) 1.331 6.105 ( 1.751 0.366 -5.272) 5.567 6.121 ( 1.359 4.013 -4.267) 6.013 6.283 ( -4.873 -2.327 0.340) 5.411 6.290 ( 2.845 -5.496 0.614) 6.219 6.354 ( -0.050 -2.866 3.069) 4.199 6.460 ( -2.784 -6.219 9.034) 11.315 6.545 ( 1.761 -7.849 5.608) 9.806 6.695 ( -2.778 -7.138 4.288) 8.778 6.740 ( -2.858 1.063 2.969) 4.256 6.806 ( -1.639 0.666 2.864) 3.367 6.817 ( -3.905 0.579 7.734) 8.683 6.948 ( -1.729 -0.443 3.561) 3.983 7.006 ( -1.448 -0.391 -0.779) 1.690 7.217 ( -0.192 -1.108 -0.384) 1.188 7.317 ( -0.351 4.343 -4.133) 6.006 7.394 ( 1.902 -0.070 -5.357) 5.685 7.462 ( -0.163 3.187 0.556) 3.239 7.555 ( -1.324 -0.325 -10.970) 11.054 7.616 ( -1.841 2.083 0.210) 2.788 7.763 ( 4.072 -6.530 2.007) 7.953 7.883 ( -1.788 4.946 -4.810) 7.127 7.960 ( -2.515 0.830 7.427) 7.885 7.987 ( -2.519 3.203 3.523) 5.387 8.157 ( 3.392 -0.349 0.011) 3.410 8.355 ( -5.477 -5.132 0.294) 7.511 8.399 ( -6.857 -3.443 -2.566) 8.091 8.487 ( -4.569 5.262 -0.463) 6.984 8.557 ( -2.038 6.433 0.531) 6.769 8.602 ( -0.466 3.322 -1.371) 3.624 8.780 ( -2.200 1.310 -1.093) 2.784 8.817 ( -1.977 -3.607 -0.789) 4.188 8.866 ( 4.383 -0.203 -4.241) 6.102 9.016 ( -1.331 2.767 0.994) 3.228 9.096 ( 0.553 -1.589 2.148) 2.729 9.147 ( -1.584 3.811 -1.297) 4.326 9.183 ( 2.080 -0.806 3.801) 4.407 9.291 ( 3.440 -3.865 -2.439) 5.720 9.323 ( -1.355 2.477 0.703) 2.910 9.449 ( -1.608 -2.484 1.263) 3.218 9.594 ( 5.002 -2.334 0.444) 5.538 9.735 ( -2.879 -7.642 -1.310) 8.271 9.759 ( -0.900 -3.013 -4.474) 5.469 9.787 ( 4.165 3.309 -1.234) 5.461 10.006 ( -2.574 -0.251 -1.847) 3.178 10.062 ( 3.940 -0.135 -1.059) 4.082 10.098 ( 4.022 1.746 -4.010) 5.942 10.273 ( -2.409 1.752 -0.754) 3.072 10.416 ( -0.623 0.330 1.519) 1.675 10.656 ( -2.767 -4.832 -1.583) 5.789 10.680 ( -2.000 -4.064 2.714) 5.280 10.753 ( -3.847 -6.065 -5.834) 9.253 10.881 ( -3.614 -6.747 5.997) 9.724 10.948 ( 0.013 2.436 -3.515) 4.276 11.071 ( -3.741 -0.651 -1.972) 4.279 11.133 ( 1.001 6.366 -0.089) 6.444 11.207 ( 1.630 4.103 6.094) 7.525 11.860 ( 0.217 0.512 -1.195) 1.318 11.935 ( -1.442 -3.078 2.379) 4.149 12.085 ( 4.441 1.621 1.886) 5.089 12.150 ( -3.422 5.364 1.050) 6.449 12.221 ( 3.345 -3.695 1.444) 5.189 12.298 ( -2.934 0.113 2.103) 3.611 12.318 ( 0.122 1.572 0.583) 1.681 12.376 ( -3.599 -0.776 -1.658) 4.038 12.523 ( 3.228 2.268 0.105) 3.946 12.590 ( 2.204 -0.695 -1.204) 2.606 12.655 ( -3.552 -6.312 1.547) 7.406 12.686 ( -3.037 -1.101 -1.690) 3.646 12.714 ( -1.095 2.399 3.180) 4.132 12.805 ( -2.617 -3.689 5.296) 6.965 13.023 ( 1.489 -3.279 -1.048) 3.751 13.059 ( -0.106 4.025 -1.667) 4.358 13.160 ( -3.076 -1.726 2.125) 4.118 13.201 ( 0.658 -0.332 -0.149) 0.752 13.277 ( -5.647 -3.082 -0.759) 6.478 13.374 ( 4.764 2.722 3.109) 6.307 13.527 ( 3.005 -2.468 -0.176) 3.893 13.592 ( 5.421 -3.889 0.009) 6.672 13.751 ( -1.092 1.401 -5.471) 5.752 13.788 ( 0.882 3.768 -2.871) 4.819 14.043 ( -7.647 5.397 -2.848) 9.784 14.105 ( -7.507 3.566 -0.903) 8.360 14.264 ( -4.052 -1.826 2.754) 5.229 14.333 ( -1.862 -1.467 -4.277) 4.890 14.527 ( 0.737 3.710 1.341) 4.014 14.613 ( 5.976 7.052 0.888) 9.286 14.640 ( 1.274 3.063 3.089) 4.533 14.854 ( -1.645 -2.494 -4.216) 5.167 15.001 ( -0.207 4.069 -2.029) 4.551 15.186 ( 1.018 6.670 1.110) 6.838 15.339 ( 0.439 -0.520 -3.221) 3.292 15.388 ( 0.410 1.709 3.383) 3.813 15.519 ( -3.507 4.089 1.442) 5.577 15.566 ( -3.884 3.534 2.200) 5.693 15.669 ( 1.613 4.160 1.889) 4.845 15.848 ( -5.746 5.579 3.090) 8.585 15.883 ( 2.707 -1.463 -0.929) 3.214 16.100 ( -2.311 -5.761 0.324) 6.216 16.255 ( 3.910 0.464 1.287) 4.142 16.382 ( 3.575 -4.537 0.921) 5.849 16.548 ( 2.021 -0.815 0.704) 2.290 16.771 ( 7.291 -0.313 -4.009) 8.327 16.810 ( 4.214 -3.855 -1.570) 5.923 16.874 ( 7.340 -5.413 0.973) 9.172 19.121 ( 1.166 1.662 1.344) 2.435 19.277 ( 2.393 2.042 -0.976) 3.294 19.450 ( -2.562 -5.071 3.386) 6.614 19.564 ( -0.571 -4.135 -3.754) 5.614 20.968 ( 2.124 2.731 0.500) 3.496 21.024 ( -0.415 3.853 -1.506) 4.157 21.121 ( -0.145 -0.934 0.849) 1.271 21.243 ( -2.702 -1.511 0.143) 3.099 24.980 ( -0.049 0.946 1.658) 1.910 25.017 ( -0.147 -0.321 0.194) 0.403 25.349 ( 1.498 -0.708 0.855) 1.864 25.468 ( 3.338 -5.914 3.868) 7.815 25.843 ( -0.519 3.782 -0.310) 3.830 25.902 ( 0.146 2.604 -0.625) 2.682 26.119 ( -1.139 1.379 0.607) 1.889 26.126 ( -0.498 0.835 1.558) 1.836 26.601 ( 0.700 2.047 -5.676) 6.075 26.772 ( 3.191 -3.770 -6.784) 8.392 27.025 ( 0.281 -1.255 -0.259) 1.312 27.041 ( 4.143 -2.506 4.373) 6.524 27.110 ( 3.532 0.258 4.996) 6.124 27.216 ( -0.771 -1.832 5.684) 6.021 27.277 ( 4.394 -0.343 1.329) 4.604 27.375 ( -0.741 -2.283 -0.920) 2.570 27.481 ( 4.198 5.689 -1.456) 7.218 27.600 ( -1.248 9.343 4.670) 10.519 27.712 ( 0.907 -2.175 -6.036) 6.480 27.888 ( 1.665 -0.898 3.787) 4.233 27.993 ( -0.790 6.219 1.763) 6.513 28.157 ( -2.055 2.175 -3.739) 4.789 28.210 ( -0.951 2.633 -2.596) 3.818 28.307 ( -1.064 -3.623 1.106) 3.935 28.390 ( -1.829 -5.838 2.408) 6.575 28.475 ( -0.996 -1.072 -1.517) 2.108 28.614 ( -11.805 -8.284 -1.489) 14.498 28.633 ( -5.304 -3.709 -0.195) 6.475 28.898 ( -8.110 3.850 1.100) 9.044 29.023 ( -10.599 6.603 2.561) 12.748 29.233 ( -4.332 1.884 -2.294) 5.252 29.526 ( 3.679 -0.762 -4.803) 6.098 29.836 ( 5.137 3.089 -1.362) 6.147 29.954 ( -2.887 2.980 0.763) 4.219 30.087 ( -1.534 -5.791 4.321) 7.386 30.146 ( -6.064 -6.335 3.477) 9.433 30.363 ( -2.491 4.878 -3.786) 6.658 30.801 ( 3.288 -10.056 3.728) 11.218 31.089 ( 13.924 5.943 -2.076) 15.281 31.351 ( 10.043 -3.909 -7.662) 13.223 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 4.246 8.801 -11.288) 14.930 2.000 ( 2.199 9.747 6.115) 11.715 2.044 ( 9.486 10.770 -2.175) 14.516 2.263 ( -4.714 -2.674 -2.185) 5.843 2.333 ( -9.040 1.115 5.528) 10.654 2.502 ( -7.340 2.594 0.704) 7.817 2.642 ( 4.303 -0.467 -1.465) 4.569 2.776 ( 19.492 9.785 -18.072) 28.325 2.900 ( -1.762 -6.879 -4.204) 8.252 3.124 ( -5.627 -2.480 5.242) 8.080 3.153 ( 0.575 -1.981 -3.936) 4.444 3.383 ( -1.459 -7.031 1.440) 7.323 3.422 ( 1.706 -4.929 5.507) 7.585 3.495 ( 3.842 -8.306 -3.795) 9.908 3.594 ( -0.341 -6.163 0.623) 6.204 3.680 ( -0.237 6.828 1.346) 6.963 3.773 ( -3.786 5.808 -1.805) 7.164 3.792 ( -7.296 10.022 6.164) 13.845 3.849 ( 3.105 2.452 -0.572) 3.998 3.944 ( 0.956 2.772 5.148) 5.925 4.015 ( 1.350 -3.848 3.366) 5.288 4.127 ( 1.741 -1.406 1.190) 2.534 4.203 ( -4.872 -2.489 4.000) 6.777 4.299 ( 4.599 -3.901 -1.948) 6.337 4.339 ( 5.214 1.560 1.528) 5.652 4.371 ( 5.455 3.555 0.182) 6.514 4.489 ( 3.738 -2.397 -6.337) 7.738 4.522 ( 2.098 1.904 3.828) 4.762 4.564 ( -0.113 -5.751 -1.785) 6.023 4.700 ( -1.093 4.985 -1.924) 5.454 4.748 ( -1.360 5.432 7.736) 9.550 4.829 ( 3.443 3.682 1.648) 5.304 4.876 ( 2.523 -0.336 1.677) 3.048 4.972 ( 0.051 1.932 -1.714) 2.583 5.001 ( -2.814 -2.840 0.085) 3.999 5.033 ( -3.555 3.885 -1.718) 5.540 5.042 ( -6.393 0.782 -1.451) 6.602 5.154 ( -4.791 2.976 -0.385) 5.653 5.201 ( -2.364 1.390 2.270) 3.560 5.276 ( -2.321 -0.205 -4.183) 4.789 5.327 ( -2.418 -0.223 -4.787) 5.368 5.390 ( 3.771 2.255 0.512) 4.424 5.448 ( 0.236 -4.679 -1.423) 4.896 5.504 ( -3.393 5.620 -1.797) 6.807 5.616 ( 3.443 0.667 -1.361) 3.761 5.681 ( -1.144 -2.628 -1.904) 3.441 5.740 ( 1.228 -2.375 -4.404) 5.152 5.846 ( 4.744 -1.401 -3.401) 6.003 5.916 ( 1.999 -3.644 0.187) 4.161 5.937 ( -2.823 -1.448 -3.290) 4.571 5.993 ( -3.332 0.190 -2.926) 4.439 6.037 ( -1.343 -1.115 6.296) 6.534 6.081 ( 6.088 1.824 -6.613) 9.172 6.118 ( -0.813 0.131 2.163) 2.314 6.236 ( 1.454 3.386 -2.624) 4.523 6.352 ( 0.214 -2.816 3.234) 4.294 6.443 ( 3.646 -5.784 3.185) 7.543 6.510 ( -4.825 -0.591 8.186) 9.521 6.595 ( -0.458 -7.835 2.046) 8.111 6.664 ( -2.899 -0.658 1.713) 3.430 6.740 ( -1.518 -4.756 1.002) 5.092 6.810 ( -5.942 -0.004 7.588) 9.638 6.843 ( 1.972 -3.633 -1.398) 4.364 6.934 ( -3.719 1.711 2.941) 5.041 6.991 ( -1.068 -3.011 1.171) 3.403 7.212 ( 1.480 -3.712 -1.993) 4.466 7.259 ( -0.390 3.370 -4.654) 5.759 7.379 ( -0.137 -1.681 -1.825) 2.484 7.454 ( 1.232 0.347 -3.476) 3.704 7.484 ( 1.456 3.942 1.329) 4.408 7.597 ( -1.720 2.901 1.936) 3.889 7.785 ( -1.864 6.782 -5.059) 8.663 7.822 ( -0.368 -11.461 2.970) 11.845 7.971 ( -1.422 2.817 -0.891) 3.279 8.014 ( 0.582 1.834 2.791) 3.390 8.152 ( -5.078 0.382 -1.237) 5.240 8.269 ( -3.007 -3.446 -0.158) 4.577 8.310 ( 1.400 -2.358 0.035) 2.742 8.399 ( -3.932 6.913 -2.354) 8.294 8.561 ( 0.532 8.867 -2.270) 9.169 8.612 ( 1.819 0.709 0.415) 1.996 8.687 ( -4.433 -4.607 -1.487) 6.564 8.752 ( -2.576 -0.354 -0.126) 2.603 8.915 ( 4.910 -0.244 -2.904) 5.709 8.989 ( -1.975 5.095 0.320) 5.473 9.098 ( -0.980 8.343 0.729) 8.432 9.172 ( -0.319 -2.660 7.585) 8.044 9.252 ( 4.614 -3.238 -3.269) 6.516 9.323 ( -0.624 2.349 3.818) 4.526 9.368 ( 4.516 -3.287 0.442) 5.603 9.445 ( -0.117 -0.393 0.931) 1.017 9.619 ( -2.829 -5.794 1.977) 6.744 9.662 ( -4.757 -3.746 -1.921) 6.352 9.705 ( 3.360 -6.323 -2.094) 7.460 9.858 ( 4.257 5.019 0.471) 6.598 9.957 ( -2.127 3.256 -0.076) 3.890 10.117 ( 2.931 1.501 2.158) 3.938 10.167 ( 3.890 -3.414 -0.439) 5.195 10.242 ( 1.060 3.978 -1.939) 4.551 10.414 ( -0.673 -0.174 0.237) 0.735 10.571 ( -5.027 -4.657 -0.049) 6.853 10.629 ( -0.876 -4.643 -3.477) 5.866 10.714 ( 1.542 -5.522 -0.495) 5.755 10.845 ( -2.614 -3.756 1.481) 4.810 10.966 ( 0.688 -1.277 2.958) 3.294 11.021 ( -1.240 0.889 0.443) 1.589 11.158 ( 1.190 7.452 0.233) 7.550 11.257 ( -1.959 5.104 3.322) 6.397 11.869 ( 0.956 -0.312 -0.307) 1.052 11.933 ( -0.821 -2.563 1.930) 3.312 12.082 ( -3.176 6.639 -1.688) 7.550 12.194 ( 4.400 1.468 0.383) 4.654 12.250 ( -1.552 -2.633 -2.211) 3.772 12.291 ( -0.919 -5.630 1.270) 5.844 12.296 ( -0.144 -2.090 -1.971) 2.876 12.341 ( 1.967 1.084 -1.190) 2.542 12.491 ( -4.024 -1.740 -0.907) 4.477 12.579 ( 0.130 -1.298 -5.323) 5.481 12.597 ( -3.313 -2.768 -1.476) 4.563 12.697 ( 1.308 -3.734 5.858) 7.069 12.731 ( -0.361 -0.220 1.095) 1.174 12.828 ( -2.122 -0.614 6.094) 6.482 12.977 ( -3.703 -4.728 -3.086) 6.752 13.058 ( 0.804 -0.365 -2.223) 2.392 13.110 ( 0.754 -0.924 0.207) 1.211 13.170 ( -1.785 2.305 1.338) 3.207 13.316 ( 1.857 -0.410 3.870) 4.312 13.474 ( 1.781 -0.909 3.667) 4.177 13.578 ( 3.288 4.251 -1.712) 5.640 13.674 ( 3.133 1.867 -4.821) 6.045 13.682 ( 3.735 -2.424 -2.986) 5.361 13.780 ( 1.575 1.879 -1.371) 2.809 13.914 ( -3.396 5.034 -1.991) 6.391 13.982 ( -6.634 4.364 0.939) 7.996 14.183 ( -6.823 -1.428 -1.345) 7.100 14.247 ( -1.546 -3.464 -4.853) 6.159 14.533 ( -3.292 -2.067 6.344) 7.440 14.651 ( 0.817 7.736 -0.470) 7.793 14.707 ( -1.037 2.045 -1.679) 2.842 14.847 ( 6.528 3.668 -2.724) 7.967 15.013 ( 0.805 3.269 1.962) 3.897 15.232 ( 2.584 4.700 1.537) 5.579 15.321 ( 0.271 -2.516 -1.232) 2.814 15.425 ( -0.369 -0.764 1.963) 2.139 15.481 ( -1.472 4.132 0.469) 4.412 15.513 ( -4.261 3.482 0.764) 5.556 15.708 ( 1.300 5.467 0.531) 5.644 15.795 ( -4.741 5.807 4.635) 8.814 15.933 ( 1.856 -0.306 2.584) 3.196 16.069 ( -1.374 -3.032 0.494) 3.365 16.313 ( 2.400 -1.419 -0.883) 2.925 16.436 ( 0.884 0.373 1.098) 1.458 16.569 ( 1.222 -5.144 -2.601) 5.893 16.830 ( 4.223 -3.523 -1.776) 5.779 16.874 ( 3.815 -1.686 -1.270) 4.360 16.995 ( 4.738 -5.755 1.486) 7.601 19.150 ( 0.267 1.402 1.668) 2.195 19.304 ( 1.105 0.736 -0.466) 1.407 19.425 ( -3.542 -4.754 2.531) 6.446 19.531 ( 0.379 -3.993 -1.704) 4.358 20.993 ( 0.205 2.570 -1.624) 3.047 21.018 ( 1.831 2.017 1.745) 3.235 21.142 ( -0.331 1.962 1.775) 2.666 21.200 ( -1.814 0.186 0.329) 1.853 24.988 ( -0.410 0.716 0.659) 1.057 25.015 ( 0.094 -0.234 -0.717) 0.760 25.373 ( 0.985 0.131 -0.468) 1.098 25.524 ( 0.351 -6.193 0.279) 6.209 25.843 ( -0.024 3.381 1.080) 3.550 25.904 ( 0.007 2.261 0.662) 2.356 26.099 ( -0.940 1.532 -0.609) 1.898 26.120 ( -1.272 0.635 0.374) 1.470 26.576 ( 2.661 2.792 -4.711) 6.088 26.743 ( 3.144 -2.616 -8.970) 9.859 27.011 ( -0.596 -1.003 -0.749) 1.386 27.100 ( 0.652 -4.135 -1.020) 4.308 27.211 ( 2.684 -1.241 3.828) 4.837 27.259 ( -1.314 -2.095 4.008) 4.710 27.355 ( 1.172 -0.476 0.665) 1.429 27.370 ( -1.055 -1.880 4.141) 4.668 27.532 ( -0.614 3.842 1.080) 4.038 27.637 ( 6.657 0.546 1.422) 6.829 27.759 ( 1.767 13.124 1.964) 13.388 27.905 ( -0.250 1.995 1.272) 2.380 28.018 ( -0.232 4.072 -1.569) 4.370 28.034 ( -2.611 -2.151 -2.903) 4.458 28.213 ( 1.751 2.188 -1.292) 3.086 28.283 ( -2.370 -4.137 -0.991) 4.869 28.390 ( -1.209 -5.024 2.459) 5.723 28.426 ( -2.930 -0.711 0.251) 3.026 28.473 ( -3.914 -5.241 5.032) 8.253 28.548 ( -2.788 -2.545 -1.467) 4.049 28.757 ( -6.529 5.333 -2.122) 8.693 28.924 ( -5.701 7.786 4.730) 10.747 29.150 ( -2.280 -0.871 -3.370) 4.161 29.557 ( 4.101 -5.805 -2.120) 7.417 29.826 ( -0.047 1.927 -8.339) 8.559 29.919 ( -1.112 2.694 -0.119) 2.917 30.095 ( -5.266 -3.376 5.674) 8.445 30.107 ( -1.997 -7.407 5.394) 9.378 30.343 ( 0.914 8.034 2.602) 8.494 30.882 ( 1.480 -10.842 2.263) 11.174 31.261 ( 9.324 4.221 -4.949) 11.369 31.406 ( 5.659 -1.225 -7.157) 9.205 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 13.643 -1.456 13.289) 19.101 2.140 ( -10.567 14.803 5.105) 18.890 2.149 ( 11.872 3.633 9.876) 15.864 2.339 ( 6.356 -1.233 12.556) 14.127 2.361 ( 8.865 4.997 9.253) 13.755 2.496 ( 1.806 -0.580 7.199) 7.445 2.763 ( 7.534 -5.587 2.193) 9.632 2.840 ( 0.350 1.428 -1.285) 1.953 2.970 ( 15.903 4.634 -6.022) 17.625 3.145 ( -0.951 4.083 4.454) 6.117 3.193 ( 7.179 1.285 -0.373) 7.302 3.324 ( -2.894 -5.556 -2.848) 6.882 3.462 ( -1.135 -2.819 2.367) 3.852 3.521 ( 1.417 -5.581 -1.817) 6.038 3.571 ( -2.509 -3.324 -0.584) 4.206 3.650 ( -2.646 3.050 -1.328) 4.251 3.705 ( -5.084 11.130 3.172) 12.641 3.769 ( -0.433 0.799 1.173) 1.484 3.889 ( -1.880 2.003 0.721) 2.840 3.982 ( -1.866 -5.883 4.801) 7.819 4.052 ( -3.882 -0.269 -1.226) 4.080 4.084 ( 2.340 4.894 3.953) 6.712 4.200 ( -3.397 -2.236 1.896) 4.487 4.293 ( -5.007 5.870 -3.367) 8.418 4.330 ( -1.927 0.832 -3.999) 4.517 4.424 ( -2.543 -2.448 0.057) 3.531 4.457 ( -2.476 0.724 -0.587) 2.646 4.511 ( 3.779 -8.808 -5.795) 11.200 4.581 ( -5.661 -0.044 -1.618) 5.888 4.650 ( -6.688 -0.377 -5.698) 8.794 4.725 ( -3.194 4.297 -0.666) 5.395 4.773 ( -0.984 0.899 -1.535) 2.032 4.874 ( -1.512 3.181 0.076) 3.523 4.895 ( -1.547 5.983 -0.065) 6.180 4.955 ( -0.870 0.959 1.208) 1.771 5.031 ( 4.652 5.105 -0.137) 6.908 5.050 ( 4.015 0.804 -1.672) 4.423 5.131 ( 2.282 -3.260 -0.791) 4.057 5.218 ( -1.188 -0.952 1.811) 2.366 5.245 ( 4.647 1.477 -3.304) 5.890 5.309 ( 0.379 -1.728 3.091) 3.561 5.385 ( 0.599 -3.005 -1.785) 3.546 5.420 ( -1.746 -0.612 -0.627) 1.953 5.511 ( 3.402 3.016 -1.260) 4.717 5.618 ( 1.269 1.772 -5.942) 6.329 5.689 ( 1.748 -4.111 -3.979) 5.983 5.722 ( 3.490 -2.024 -1.550) 4.322 5.851 ( -0.654 -0.582 -2.896) 3.025 5.893 ( -1.980 -1.506 -1.099) 2.720 5.920 ( 5.183 0.331 -2.305) 5.682 5.961 ( -1.874 -2.481 0.171) 3.114 6.005 ( -0.184 -2.084 -1.981) 2.881 6.122 ( 1.290 4.313 -0.425) 4.522 6.177 ( 3.479 -2.229 1.802) 4.508 6.221 ( 0.782 2.837 -5.484) 6.224 6.354 ( -3.880 -1.873 -1.492) 4.559 6.420 ( -4.384 1.844 -3.733) 6.046 6.464 ( -4.053 -3.474 1.866) 5.655 6.543 ( -6.418 -0.767 0.858) 6.520 6.650 ( -1.429 -4.909 -0.291) 5.121 6.691 ( -4.239 -4.101 3.355) 6.785 6.746 ( -4.696 -2.210 0.436) 5.209 6.845 ( 0.822 -1.697 -2.664) 3.264 6.896 ( -3.047 0.427 3.202) 4.440 6.977 ( -1.166 -3.791 0.448) 3.992 7.206 ( 0.736 3.760 -5.083) 6.366 7.247 ( 3.027 -5.113 -0.514) 5.964 7.356 ( -0.862 -1.193 -0.974) 1.765 7.516 ( 4.890 -0.933 -1.115) 5.102 7.542 ( 2.432 0.548 6.104) 6.594 7.590 ( -0.438 2.266 1.536) 2.772 7.743 ( -0.688 2.914 0.370) 3.017 7.849 ( -0.065 -11.333 2.558) 11.618 7.906 ( -2.736 3.435 -5.998) 7.434 7.986 ( 1.568 0.496 -5.505) 5.746 8.104 ( 0.630 0.310 0.211) 0.733 8.274 ( -2.795 1.855 -0.827) 3.455 8.297 ( 0.518 1.520 3.101) 3.492 8.382 ( 4.333 4.691 -1.205) 6.498 8.546 ( -0.166 6.818 -0.945) 6.885 8.612 ( 0.831 4.292 -0.062) 4.372 8.639 ( 0.462 -1.195 -1.883) 2.277 8.821 ( 4.111 -5.552 5.831) 9.040 8.929 ( -1.566 -0.197 -1.655) 2.287 8.984 ( 1.552 4.392 -0.247) 4.664 9.115 ( 1.179 7.453 1.497) 7.693 9.197 ( -3.259 -5.281 3.467) 7.108 9.288 ( 2.452 -0.381 -2.092) 3.246 9.340 ( -4.274 0.205 3.319) 5.415 9.376 ( -1.255 1.526 0.015) 1.976 9.472 ( 2.311 -0.029 0.944) 2.496 9.580 ( -3.786 -1.821 1.685) 4.527 9.682 ( 3.356 -3.038 5.375) 7.028 9.752 ( 2.399 -5.701 0.593) 6.214 9.927 ( -0.136 2.475 1.694) 3.002 9.940 ( 2.380 3.160 1.740) 4.322 10.159 ( -1.505 -0.126 0.826) 1.721 10.207 ( 0.715 -3.005 4.436) 5.405 10.281 ( 3.207 2.110 -1.019) 3.972 10.405 ( -0.070 0.473 -0.477) 0.675 10.530 ( 0.246 -3.845 0.898) 3.956 10.630 ( 2.798 -6.304 -1.815) 7.132 10.760 ( 3.643 -2.287 1.931) 4.714 10.826 ( -3.208 -7.851 4.276) 9.498 11.011 ( 0.626 -0.442 2.720) 2.826 11.028 ( -0.022 2.112 2.432) 3.221 11.154 ( -1.432 5.374 -2.289) 6.014 11.214 ( -3.496 5.845 -0.169) 6.812 11.877 ( 0.606 -0.662 -0.137) 0.907 11.933 ( -1.222 -3.333 1.475) 3.844 12.026 ( 0.002 4.954 -2.827) 5.704 12.164 ( -3.477 -1.816 -6.086) 7.240 12.227 ( 1.024 -0.145 -1.837) 2.108 12.261 ( 0.071 -5.392 -2.802) 6.077 12.294 ( 0.257 -2.040 -0.016) 2.056 12.372 ( 1.572 2.799 -2.205) 3.894 12.409 ( -3.697 -0.886 -1.967) 4.280 12.513 ( 1.709 -1.120 -6.275) 6.600 12.573 ( -2.597 -1.161 3.664) 4.639 12.718 ( -1.206 -0.663 0.155) 1.385 12.763 ( 0.112 -5.808 2.429) 6.296 12.838 ( -3.069 0.449 6.405) 7.117 12.924 ( 2.342 -3.712 -4.620) 6.372 13.054 ( 1.147 -0.289 0.153) 1.193 13.144 ( 1.104 0.405 0.180) 1.189 13.176 ( 0.926 1.356 1.975) 2.568 13.340 ( -2.603 -1.118 1.688) 3.298 13.496 ( -3.059 -3.365 3.010) 5.454 13.597 ( 2.271 6.271 -0.749) 6.711 13.694 ( 0.545 -1.720 -3.936) 4.330 13.763 ( 7.111 -0.232 2.942) 7.699 13.847 ( 2.564 3.992 1.152) 4.882 13.880 ( -4.724 1.604 -0.001) 4.989 13.887 ( 3.897 -2.772 -4.574) 6.617 14.039 ( -4.975 4.243 -1.651) 6.744 14.216 ( 3.006 -1.159 -3.442) 4.715 14.500 ( -3.921 -0.583 -0.467) 3.991 14.635 ( -0.101 6.760 -8.705) 11.022 14.678 ( -0.598 0.665 5.848) 5.916 14.929 ( 3.199 1.771 -0.294) 3.669 15.052 ( 0.698 3.593 3.354) 4.965 15.281 ( 0.045 4.101 2.405) 4.754 15.337 ( 2.800 -2.231 0.038) 3.580 15.377 ( -3.875 -0.422 -2.465) 4.612 15.457 ( -0.905 4.697 0.119) 4.785 15.501 ( 1.673 2.490 0.071) 3.001 15.720 ( -0.348 7.105 0.096) 7.114 15.780 ( -2.514 5.392 5.022) 7.785 15.989 ( 0.032 -1.191 4.934) 5.076 16.072 ( -0.603 -2.495 3.189) 4.094 16.317 ( -0.313 2.078 -3.104) 3.748 16.421 ( -0.889 5.836 -1.806) 6.173 16.558 ( -0.190 -10.704 -1.238) 10.777 16.864 ( 1.942 -2.920 -3.720) 5.112 16.914 ( 0.665 -3.584 2.464) 4.400 17.049 ( 0.075 -5.879 0.491) 5.900 19.163 ( -0.742 0.443 1.827) 2.021 19.302 ( 0.640 1.811 -2.090) 2.839 19.395 ( -2.495 -5.278 2.474) 6.341 19.544 ( 1.903 -5.043 -0.090) 5.391 20.994 ( -0.390 3.481 1.283) 3.730 21.070 ( 3.050 3.897 0.034) 4.949 21.134 ( -2.129 1.075 2.869) 3.730 21.198 ( -0.144 0.008 1.015) 1.025 24.981 ( -0.659 0.460 -0.183) 0.824 25.003 ( -0.390 -0.277 -1.364) 1.446 25.372 ( -0.127 0.407 -1.114) 1.193 25.486 ( -2.357 -3.884 -3.775) 5.907 25.864 ( 0.263 2.988 2.708) 4.041 25.921 ( 0.556 1.496 2.213) 2.729 26.078 ( -0.298 1.473 -1.685) 2.258 26.095 ( -0.995 0.631 -1.187) 1.672 26.587 ( 2.698 1.499 -3.036) 4.329 26.709 ( 3.330 -2.355 -8.786) 9.686 26.999 ( -0.128 -2.003 -0.727) 2.134 27.055 ( -1.629 -3.619 -5.079) 6.445 27.253 ( -2.947 -1.441 2.410) 4.071 27.270 ( 0.452 -1.787 2.456) 3.071 27.362 ( -1.874 0.886 3.706) 4.247 27.382 ( -0.792 -0.533 1.897) 2.124 27.540 ( -1.169 5.759 1.846) 6.160 27.662 ( -5.699 4.936 -2.003) 7.801 27.792 ( 5.201 0.420 2.069) 5.613 27.883 ( -3.421 -0.703 -4.944) 6.053 27.974 ( -0.412 5.375 0.864) 5.460 28.119 ( 5.971 0.921 6.613) 8.957 28.241 ( 0.688 0.003 -1.554) 1.700 28.256 ( 1.010 -2.142 0.851) 2.516 28.368 ( -0.921 -1.917 1.390) 2.541 28.429 ( -0.384 -1.329 2.914) 3.226 28.463 ( -2.733 -0.596 3.870) 4.775 28.575 ( 2.227 -3.583 2.801) 5.063 28.676 ( 1.684 4.379 -2.613) 5.370 28.910 ( -1.976 4.883 5.002) 7.264 29.093 ( 0.851 0.408 -4.426) 4.526 29.610 ( 4.563 -7.668 -4.188) 9.857 29.739 ( -1.154 4.115 -4.116) 5.934 29.904 ( -0.364 3.014 -0.695) 3.115 30.056 ( -4.608 -3.640 3.708) 6.945 30.154 ( 2.757 -4.401 3.949) 6.524 30.410 ( -0.716 3.768 8.380) 9.216 30.877 ( -3.167 -10.161 -0.454) 10.653 31.280 ( 0.650 4.365 -7.940) 9.084 31.429 ( 5.235 -1.553 -6.647) 8.602 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -24.659 13.304 5.196) 28.496 2.226 ( -17.572 13.435 4.591) 22.591 2.350 ( 5.917 -7.678 4.101) 10.525 2.510 ( 3.554 0.297 -5.962) 6.947 2.648 ( 6.058 -4.364 5.308) 9.161 2.712 ( 11.713 -2.035 2.091) 12.071 2.852 ( 5.724 -5.375 3.494) 8.594 3.003 ( 1.335 2.903 -0.300) 3.210 3.072 ( -1.572 -7.322 1.470) 7.632 3.205 ( 6.928 0.328 7.744) 10.396 3.260 ( 1.843 1.311 3.253) 3.963 3.336 ( 8.029 4.893 -5.000) 10.649 3.414 ( -10.053 2.880 3.156) 10.923 3.465 ( -6.705 -5.495 -3.205) 9.243 3.545 ( -11.296 0.142 -6.669) 13.119 3.589 ( 3.347 10.363 -5.159) 12.050 3.640 ( -1.050 -4.532 11.059) 11.998 3.733 ( 2.262 4.216 -9.053) 10.240 3.794 ( -12.524 8.790 -2.109) 15.446 3.866 ( -1.836 2.946 1.460) 3.766 3.986 ( -8.948 5.590 0.035) 10.550 4.065 ( 2.135 -0.673 1.953) 2.971 4.217 ( -3.863 5.735 2.803) 7.461 4.228 ( 2.836 -0.065 5.218) 5.940 4.249 ( -5.524 0.102 4.568) 7.169 4.304 ( -3.304 6.590 -8.141) 10.983 4.406 ( -2.582 -3.490 -1.835) 4.713 4.480 ( -3.760 -2.230 3.673) 5.710 4.527 ( 0.427 -1.547 0.033) 1.606 4.590 ( 4.913 -0.268 2.659) 5.593 4.734 ( 1.846 0.560 -3.850) 4.306 4.796 ( 4.536 -4.158 -1.123) 6.255 4.820 ( -0.784 5.879 -3.468) 6.870 4.865 ( -3.807 1.429 -0.860) 4.156 5.008 ( 6.754 1.932 0.441) 7.038 5.042 ( 2.965 -0.855 -2.125) 3.747 5.069 ( -5.528 -11.084 -4.185) 13.074 5.169 ( -0.612 -2.041 3.002) 3.681 5.200 ( 0.010 -3.138 -4.057) 5.129 5.256 ( 4.366 -2.528 -3.572) 6.181 5.375 ( 2.752 -0.267 0.651) 2.840 5.442 ( 5.568 -4.678 1.421) 7.409 5.479 ( 4.788 2.925 -0.370) 5.623 5.510 ( 3.082 2.829 3.422) 5.404 5.667 ( 6.273 1.403 -4.526) 7.862 5.718 ( 4.875 -3.773 0.946) 6.237 5.778 ( 4.240 -2.557 -3.243) 5.918 5.832 ( 2.545 0.493 -1.957) 3.248 5.876 ( -0.926 1.513 2.562) 3.116 5.909 ( -0.334 -2.532 1.659) 3.045 5.956 ( -4.583 0.424 -5.843) 7.438 6.011 ( 0.450 2.262 -1.378) 2.687 6.068 ( 1.742 0.107 -3.808) 4.189 6.155 ( 1.026 -1.464 -4.289) 4.647 6.242 ( 2.434 -0.240 0.820) 2.579 6.291 ( -1.611 1.276 0.455) 2.105 6.296 ( -1.881 1.626 -2.996) 3.893 6.450 ( -2.224 -0.970 -0.253) 2.439 6.474 ( -3.350 2.105 5.877) 7.084 6.622 ( -2.877 3.082 1.310) 4.415 6.699 ( -1.591 -5.801 6.545) 8.890 6.709 ( 2.879 -2.347 -0.915) 3.826 6.805 ( -3.564 1.687 4.575) 6.040 6.942 ( 4.685 -7.694 -0.630) 9.030 6.965 ( -1.028 -2.813 0.371) 3.017 7.180 ( 0.979 1.282 -2.652) 3.104 7.259 ( 1.764 -0.585 -5.182) 5.505 7.348 ( -0.928 0.085 1.778) 2.008 7.552 ( 0.685 -3.532 -4.198) 5.529 7.592 ( 1.117 -0.128 0.773) 1.364 7.681 ( 4.565 -1.982 3.140) 5.885 7.737 ( 0.321 3.160 0.862) 3.291 7.792 ( -1.883 -1.590 -4.560) 5.184 7.897 ( 1.292 -1.815 4.859) 5.345 8.006 ( 5.557 0.495 -5.336) 7.720 8.149 ( 4.215 -3.933 -3.719) 6.860 8.233 ( 0.631 4.444 2.317) 5.051 8.345 ( 1.752 -1.642 2.291) 3.319 8.465 ( 3.761 8.588 0.684) 9.400 8.527 ( -1.107 5.184 0.134) 5.302 8.647 ( 1.978 6.152 0.698) 6.499 8.677 ( 4.916 -2.147 -2.032) 5.737 8.866 ( -1.685 0.093 -4.041) 4.379 8.921 ( 1.002 -2.027 4.483) 5.021 9.000 ( 0.204 1.842 0.971) 2.092 9.106 ( -3.383 -3.338 -0.425) 4.771 9.183 ( -0.290 5.387 -2.134) 5.801 9.237 ( -4.850 -0.577 0.443) 4.905 9.299 ( -2.463 0.600 1.807) 3.113 9.396 ( 0.118 4.918 3.951) 6.310 9.493 ( -1.771 -3.881 1.762) 4.616 9.561 ( -0.210 -2.962 0.679) 3.047 9.741 ( -1.079 0.690 0.024) 1.281 9.780 ( 1.216 -4.239 -0.565) 4.446 9.964 ( 0.540 -2.958 4.661) 5.547 10.005 ( 2.138 -0.952 0.915) 2.513 10.122 ( -3.851 -1.711 0.689) 4.270 10.243 ( -0.939 -4.683 2.871) 5.573 10.304 ( 1.724 3.692 -1.675) 4.405 10.401 ( -0.646 1.651 -0.015) 1.773 10.567 ( 1.480 -2.515 1.400) 3.236 10.656 ( 3.293 -6.363 -3.590) 8.013 10.770 ( -4.604 -4.825 2.060) 6.980 10.914 ( 2.367 -5.960 7.095) 9.564 10.986 ( -1.337 5.455 -0.625) 5.651 11.047 ( -1.164 1.976 -4.701) 5.230 11.122 ( 2.007 2.420 5.489) 6.325 11.185 ( 0.113 0.382 0.292) 0.494 11.893 ( 0.040 -0.061 0.475) 0.480 11.954 ( 0.447 -1.103 4.603) 4.755 12.014 ( 1.985 2.733 -3.592) 4.931 12.041 ( -2.251 -0.217 -4.991) 5.479 12.187 ( -2.086 -4.048 -2.031) 4.987 12.270 ( 1.864 -3.843 -3.136) 5.299 12.285 ( -3.272 5.142 -2.152) 6.463 12.297 ( 0.393 1.044 -4.710) 4.841 12.399 ( 1.326 0.488 2.339) 2.733 12.485 ( 1.488 4.345 -5.387) 7.079 12.606 ( 1.594 -2.382 3.364) 4.419 12.688 ( -2.253 -2.465 1.337) 3.597 12.749 ( -1.672 -6.847 -0.704) 7.084 12.879 ( -0.319 3.006 6.763) 7.408 12.953 ( 4.762 -3.079 -2.942) 6.388 13.091 ( 1.361 1.842 1.311) 2.639 13.166 ( 0.252 -1.228 -0.592) 1.387 13.222 ( 3.306 1.446 2.203) 4.228 13.297 ( -2.502 -3.083 0.870) 4.064 13.435 ( -7.280 -3.955 2.950) 8.794 13.612 ( -3.968 1.925 1.840) 4.778 13.643 ( -2.435 -0.103 -4.265) 4.913 13.732 ( -7.869 -0.668 -1.307) 8.005 13.796 ( 5.087 -5.460 -12.076) 14.195 13.850 ( -1.182 2.459 -0.953) 2.890 14.017 ( 8.854 -1.514 1.874) 9.176 14.132 ( 9.034 5.357 5.534) 11.872 14.280 ( 7.341 4.072 -1.933) 8.614 14.454 ( 1.014 3.012 -1.572) 3.545 14.545 ( -0.268 3.803 -6.329) 7.389 14.716 ( -1.757 1.292 4.578) 5.071 14.940 ( -0.751 -0.949 -0.972) 1.552 15.100 ( 1.309 4.408 2.091) 5.052 15.288 ( -0.840 0.894 1.264) 1.762 15.315 ( -1.354 2.558 0.575) 2.951 15.406 ( 4.022 0.741 1.343) 4.304 15.468 ( 1.815 4.186 0.445) 4.585 15.529 ( 2.169 0.869 -1.108) 2.586 15.704 ( -1.454 8.122 0.395) 8.261 15.812 ( 0.793 3.720 4.051) 5.557 16.033 ( -1.193 -2.166 5.842) 6.344 16.097 ( -1.383 -3.568 5.076) 6.357 16.234 ( -3.234 6.483 -5.191) 8.913 16.405 ( 0.627 3.623 -2.482) 4.436 16.526 ( -3.726 -7.682 2.002) 8.769 16.822 ( -1.414 0.268 -4.245) 4.482 16.944 ( -1.254 -7.719 3.763) 8.678 17.002 ( -4.864 -5.885 -1.414) 7.765 19.166 ( -1.085 -0.487 2.384) 2.664 19.304 ( 2.253 2.585 -1.932) 3.936 19.389 ( -1.528 -5.583 2.932) 6.488 19.588 ( 3.313 -5.850 -0.273) 6.728 20.979 ( -2.400 5.102 0.087) 5.639 21.121 ( 2.002 3.914 1.014) 4.512 21.145 ( -0.786 1.146 3.500) 3.766 21.195 ( -0.665 -1.056 -0.316) 1.287 24.964 ( -0.931 0.040 -0.439) 1.031 24.978 ( -0.856 -0.155 -0.946) 1.285 25.349 ( -1.577 -0.064 -0.690) 1.723 25.391 ( -3.209 -0.941 -4.201) 5.369 25.905 ( 0.529 3.036 4.306) 5.295 25.969 ( 1.212 0.718 3.993) 4.235 26.052 ( 0.008 1.244 -3.086) 3.327 26.064 ( -0.544 0.481 -2.616) 2.715 26.589 ( 0.883 0.071 -3.602) 3.710 26.679 ( 2.899 -3.317 -8.420) 9.502 26.936 ( -3.024 -0.263 -3.693) 4.781 27.030 ( 1.537 -3.635 -0.200) 3.952 27.206 ( -4.816 -0.634 1.728) 5.156 27.277 ( -2.399 -2.576 2.579) 4.364 27.364 ( -3.797 2.090 5.666) 7.133 27.400 ( 0.916 1.090 1.856) 2.339 27.495 ( -3.539 5.530 -1.194) 6.673 27.604 ( -0.855 4.655 3.450) 5.857 27.760 ( -2.815 -0.288 -7.255) 7.787 27.892 ( 3.046 -3.130 2.937) 5.263 28.008 ( 0.345 3.839 4.574) 5.981 28.195 ( 0.279 3.382 -3.286) 4.724 28.236 ( 0.129 -2.495 1.318) 2.825 28.281 ( -0.104 0.563 3.369) 3.417 28.371 ( -1.888 -1.395 -0.795) 2.479 28.432 ( -2.014 1.839 -1.431) 3.080 28.507 ( 4.883 -1.655 3.427) 6.191 28.685 ( 8.674 -1.404 2.937) 9.265 28.733 ( 3.437 -1.698 0.384) 3.853 28.934 ( 1.954 -1.937 0.140) 2.755 29.129 ( 5.678 6.698 1.161) 8.857 29.588 ( 4.299 0.485 -13.017) 13.717 29.740 ( -1.603 1.686 5.953) 6.391 29.887 ( -0.249 2.218 -1.753) 2.839 30.022 ( -2.178 -0.906 1.816) 2.977 30.286 ( 6.413 -7.468 5.197) 11.131 30.466 ( -3.267 -1.273 9.173) 9.820 30.778 ( -6.067 -8.423 -2.073) 10.585 31.158 ( -5.068 6.346 -7.656) 11.161 31.433 ( 3.063 -4.382 -7.489) 9.201 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -25.517 20.467 7.969) 33.667 1.674 ( -35.473 13.122 -18.101) 41.931 2.307 ( -17.373 -10.986 -18.002) 27.323 2.426 ( -0.442 1.812 -12.859) 12.994 2.484 ( -10.665 -8.990 -0.943) 13.980 2.630 ( -20.083 11.376 -1.649) 23.140 2.790 ( -3.152 -10.029 2.978) 10.926 2.985 ( -3.346 0.599 -3.311) 4.745 3.028 ( -5.161 -6.394 -3.210) 8.821 3.135 ( -1.977 9.062 -10.768) 14.212 3.250 ( -0.010 -0.250 4.269) 4.276 3.356 ( -1.390 3.498 0.323) 3.778 3.393 ( 0.225 -5.006 2.771) 5.727 3.468 ( -2.610 1.545 -3.540) 4.662 3.544 ( 5.332 1.321 5.254) 7.601 3.589 ( -0.671 7.869 -2.178) 8.193 3.647 ( 7.334 -2.531 4.574) 9.007 3.739 ( -0.012 5.268 -4.582) 6.982 3.774 ( -2.291 7.856 0.850) 8.227 3.855 ( 4.787 7.174 0.916) 8.673 3.927 ( 0.688 8.107 -0.578) 8.157 4.075 ( 0.673 -7.224 -3.389) 8.008 4.144 ( -5.202 -1.917 -1.902) 5.861 4.167 ( -0.926 0.188 1.231) 1.552 4.283 ( -0.720 -2.174 0.090) 2.292 4.316 ( 1.473 1.982 5.405) 5.942 4.424 ( -1.308 0.854 13.013) 13.107 4.482 ( 0.393 0.826 4.364) 4.459 4.593 ( 4.022 0.316 -0.393) 4.053 4.673 ( -5.180 -0.245 -0.553) 5.215 4.727 ( -1.695 -2.104 8.037) 8.479 4.776 ( 4.351 2.462 -2.251) 5.483 4.821 ( 2.451 -0.260 -4.087) 4.773 4.931 ( 5.505 -3.905 1.788) 6.982 4.971 ( 2.574 -7.292 0.247) 7.737 5.011 ( -0.287 0.901 -0.632) 1.137 5.115 ( -1.353 -2.507 -0.830) 2.967 5.161 ( 0.554 -1.198 0.405) 1.381 5.253 ( 8.055 -4.459 -0.958) 9.256 5.329 ( 5.381 -1.007 0.317) 5.484 5.397 ( 1.903 1.826 0.357) 2.661 5.484 ( -4.829 -2.668 -5.209) 7.588 5.555 ( 5.178 1.991 2.086) 5.926 5.610 ( 6.322 3.546 -2.986) 7.840 5.734 ( 1.837 -1.274 1.484) 2.683 5.750 ( -0.242 -1.041 -11.365) 11.415 5.775 ( -0.153 -4.687 1.152) 4.829 5.823 ( 2.510 1.578 -2.247) 3.720 5.869 ( 3.140 2.096 -3.182) 4.937 5.908 ( -1.568 2.530 2.699) 4.018 5.984 ( 5.885 0.016 -3.017) 6.613 6.029 ( 7.590 -2.896 4.302) 9.193 6.170 ( -2.043 0.138 4.248) 4.716 6.192 ( 7.011 -1.726 -1.462) 7.367 6.211 ( 1.932 1.415 -2.305) 3.324 6.324 ( 3.158 -2.355 1.250) 4.133 6.343 ( 2.712 1.081 8.289) 8.788 6.461 ( 0.831 1.104 3.727) 3.975 6.491 ( -0.552 4.142 2.310) 4.775 6.581 ( -4.561 5.904 6.660) 10.001 6.706 ( -0.337 -4.209 0.882) 4.314 6.756 ( -2.488 -2.262 6.712) 7.507 6.908 ( 5.394 -1.250 4.906) 7.397 6.925 ( -3.113 -0.184 1.794) 3.597 7.025 ( 5.958 -7.300 -1.026) 9.478 7.167 ( 0.009 1.922 -4.057) 4.489 7.270 ( 5.334 -5.292 -2.623) 7.958 7.345 ( -0.089 1.410 0.619) 1.543 7.473 ( -1.507 -3.377 -8.409) 9.187 7.578 ( -1.526 -0.711 -1.400) 2.189 7.714 ( -0.658 1.504 -5.922) 6.146 7.771 ( 4.717 -1.641 -0.702) 5.044 7.839 ( 4.076 5.964 7.155) 10.167 7.950 ( -0.813 1.827 4.066) 4.531 8.049 ( 4.485 -0.884 -5.167) 6.899 8.127 ( 0.868 -3.578 -5.138) 6.321 8.352 ( 3.718 3.548 6.420) 8.224 8.414 ( 4.782 -0.751 -0.365) 4.854 8.504 ( 1.386 6.184 -0.544) 6.361 8.540 ( 2.811 3.471 0.870) 4.551 8.678 ( 1.822 2.198 0.810) 2.967 8.713 ( 0.916 -1.299 -2.631) 3.074 8.811 ( 1.009 -1.487 -3.455) 3.895 8.953 ( -1.723 1.822 2.364) 3.446 9.011 ( -1.102 -0.093 1.898) 2.197 9.059 ( -0.275 0.515 -1.845) 1.935 9.096 ( -7.026 4.702 2.252) 8.748 9.165 ( -1.512 4.648 -5.564) 7.406 9.300 ( -0.935 -0.095 2.686) 2.846 9.398 ( -5.550 1.289 4.349) 7.168 9.479 ( 0.102 -4.327 -1.118) 4.470 9.576 ( 1.161 -2.366 -0.510) 2.685 9.697 ( -0.937 -7.267 -0.435) 7.340 9.774 ( 0.043 -7.898 -3.643) 8.698 9.973 ( -6.814 -4.088 2.827) 8.434 10.014 ( -0.591 -2.461 -1.345) 2.866 10.049 ( -0.297 0.498 -3.061) 3.115 10.231 ( -1.801 -5.339 -0.544) 5.661 10.316 ( 2.623 4.504 -4.546) 6.916 10.377 ( -2.674 1.410 1.298) 3.290 10.583 ( -0.895 -1.925 0.652) 2.221 10.672 ( 1.461 -5.535 -2.859) 6.399 10.710 ( -1.411 -2.595 -0.383) 2.979 10.842 ( -5.305 0.566 -0.450) 5.354 10.955 ( -2.717 1.232 -3.953) 4.952 11.150 ( 6.268 -3.506 7.934) 10.701 11.174 ( 0.250 -1.466 0.246) 1.507 11.278 ( 4.433 0.574 6.371) 7.783 11.849 ( -3.176 -0.797 -0.650) 3.338 11.970 ( -2.399 2.306 0.272) 3.339 12.037 ( 3.174 2.739 -0.009) 4.193 12.047 ( 2.626 -0.583 0.870) 2.827 12.162 ( 1.509 0.899 -2.398) 2.973 12.197 ( -2.599 1.223 1.248) 3.132 12.225 ( -1.603 3.039 -2.486) 4.241 12.327 ( 3.764 2.063 -1.007) 4.409 12.461 ( 2.107 1.194 -0.300) 2.440 12.466 ( 1.281 4.254 -1.801) 4.794 12.621 ( 1.053 -3.953 -0.404) 4.110 12.703 ( -2.828 0.558 4.231) 5.119 12.757 ( 4.151 -8.424 0.710) 9.418 12.940 ( 0.952 5.734 4.523) 7.365 13.009 ( 4.031 -2.745 -1.467) 5.092 13.111 ( -3.385 -0.687 1.451) 3.746 13.135 ( -0.291 6.107 2.087) 6.460 13.257 ( -5.129 -3.019 0.422) 5.967 13.293 ( -2.102 -1.295 -0.373) 2.497 13.380 ( 3.562 -5.040 0.904) 6.237 13.466 ( -8.662 -1.996 -1.091) 8.956 13.520 ( -5.956 -1.622 -1.336) 6.316 13.675 ( 0.347 -0.635 -2.807) 2.898 13.802 ( 7.775 -4.917 -9.336) 13.107 13.816 ( 0.744 5.841 -2.597) 6.435 14.158 ( 5.448 -6.644 0.964) 8.646 14.298 ( 4.234 7.170 0.557) 8.346 14.371 ( 5.713 8.664 -2.623) 10.704 14.472 ( 2.017 4.434 0.825) 4.941 14.586 ( 2.770 -0.266 4.483) 5.277 14.722 ( 1.007 3.146 1.567) 3.656 14.907 ( -0.105 -1.050 -2.760) 2.955 15.128 ( 2.272 4.150 -2.384) 5.298 15.296 ( -0.259 4.631 1.111) 4.769 15.330 ( 2.109 -1.773 1.157) 2.989 15.473 ( 2.291 4.884 -0.332) 5.404 15.538 ( 2.563 -2.079 2.744) 4.292 15.564 ( 3.354 2.493 2.364) 4.801 15.683 ( -0.999 6.681 -0.222) 6.759 15.874 ( 2.054 0.781 2.585) 3.393 16.059 ( -1.644 -3.070 4.151) 5.419 16.130 ( -2.016 -6.016 6.283) 8.929 16.141 ( -1.404 4.637 -4.211) 6.419 16.361 ( 0.121 -1.351 -7.363) 7.487 16.499 ( -3.959 2.799 6.577) 8.170 16.769 ( -1.680 0.685 1.011) 2.077 16.866 ( -7.738 -6.247 -2.889) 10.356 16.933 ( -4.049 -5.094 2.865) 7.110 19.182 ( -0.110 -1.159 2.792) 3.026 19.338 ( 3.337 0.079 -1.348) 3.600 19.392 ( -2.450 -4.604 3.456) 6.256 19.645 ( 4.018 -6.317 -1.158) 7.576 20.927 ( -2.622 5.876 -0.968) 6.507 21.126 ( -3.386 2.939 1.429) 4.706 21.150 ( -1.927 -1.574 1.002) 2.682 21.195 ( 2.147 1.592 -1.045) 2.870 24.946 ( -1.120 -0.318 1.067) 1.579 24.967 ( -0.340 -0.517 1.344) 1.479 25.288 ( -3.313 1.083 -1.367) 3.744 25.332 ( -2.304 -0.439 1.081) 2.582 25.965 ( 1.049 3.207 4.394) 5.540 26.014 ( -0.724 0.254 -3.709) 3.787 26.023 ( 1.321 1.728 -1.629) 2.717 26.041 ( 0.660 0.338 3.144) 3.230 26.538 ( -2.202 -0.506 -3.981) 4.578 26.620 ( 0.243 -4.988 -9.388) 10.633 26.897 ( 1.239 2.912 -1.037) 3.331 27.063 ( 0.601 -3.945 2.308) 4.610 27.140 ( -4.325 -0.504 2.032) 4.805 27.242 ( -5.629 -2.666 4.139) 7.478 27.339 ( -4.812 3.142 4.128) 7.076 27.434 ( 0.953 3.813 0.640) 3.982 27.458 ( -0.773 -0.963 2.023) 2.370 27.644 ( -2.298 -1.346 -5.898) 6.472 27.682 ( 4.482 7.817 6.038) 10.847 27.959 ( 0.791 -4.141 2.209) 4.759 28.053 ( 0.050 3.330 2.731) 4.307 28.151 ( -0.898 2.489 -2.701) 3.781 28.206 ( -3.466 2.344 -2.651) 4.953 28.301 ( 1.351 1.540 1.138) 2.343 28.355 ( 1.356 -1.959 -2.250) 3.277 28.388 ( -0.153 0.651 -1.524) 1.664 28.607 ( 4.931 -0.137 -0.080) 4.933 28.758 ( 0.602 -6.396 -1.460) 6.588 28.864 ( 6.830 -1.146 4.319) 8.162 29.035 ( 9.549 -3.572 0.328) 10.201 29.270 ( 6.942 8.293 2.720) 11.152 29.543 ( 4.547 7.335 -10.462) 13.562 29.744 ( -2.921 -2.527 2.012) 4.355 29.863 ( -0.548 0.640 -1.781) 1.971 30.024 ( -0.560 3.372 2.327) 4.135 30.372 ( -7.903 -11.969 6.407) 15.708 30.498 ( 2.694 -3.770 1.194) 4.785 30.687 ( -1.746 -7.154 0.319) 7.371 30.982 ( -6.874 9.128 -5.104) 12.515 31.375 ( -0.861 -7.512 -8.555) 11.417 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -23.644 22.162 -4.240) 32.683 1.159 ( -18.824 28.748 13.313) 36.852 1.932 ( -7.428 -18.352 -2.320) 19.934 2.023 ( -37.154 34.860 28.968) 58.607 2.383 ( 7.660 -3.574 -16.886) 18.884 2.550 ( 1.388 -11.168 -3.060) 11.662 2.758 ( -5.248 -7.600 4.041) 10.081 2.846 ( -0.571 3.965 -8.027) 8.971 2.946 ( 3.844 -6.407 -8.286) 11.157 3.010 ( -2.411 0.403 -3.657) 4.399 3.255 ( -4.126 -3.727 5.715) 7.974 3.322 ( 0.767 5.511 -5.269) 7.663 3.380 ( 6.935 -5.794 -8.066) 12.113 3.492 ( -2.865 12.785 0.689) 13.120 3.560 ( -0.302 -0.371 4.873) 4.897 3.646 ( -2.324 7.909 2.520) 8.620 3.666 ( 1.129 3.388 5.456) 6.520 3.767 ( -0.029 3.601 0.962) 3.727 3.820 ( 5.475 -6.091 -1.698) 8.364 3.888 ( 3.197 1.305 -5.070) 6.134 3.898 ( -2.574 7.399 -5.314) 9.466 4.076 ( -2.750 -2.435 4.320) 5.670 4.133 ( 0.760 -2.305 -0.237) 2.439 4.144 ( 0.854 -2.214 1.569) 2.845 4.294 ( 0.024 -2.915 3.948) 4.908 4.375 ( 0.663 -1.851 2.397) 3.100 4.467 ( -4.865 -5.266 1.688) 7.366 4.544 ( -4.339 -1.223 5.087) 6.797 4.577 ( 0.037 -3.601 4.536) 5.791 4.642 ( 1.105 4.673 3.201) 5.771 4.797 ( 2.633 0.263 1.411) 2.999 4.834 ( 1.192 -1.451 -0.418) 1.924 4.874 ( 5.746 6.338 0.832) 8.595 4.986 ( -1.171 1.361 -2.612) 3.170 5.007 ( 2.027 -2.695 -3.325) 4.736 5.056 ( 3.177 -0.209 2.988) 4.366 5.112 ( 0.221 -0.100 5.139) 5.145 5.178 ( 1.133 0.001 -1.738) 2.075 5.293 ( -1.394 -4.262 -6.694) 8.057 5.336 ( -0.179 -1.751 -1.919) 2.604 5.376 ( 1.816 -0.981 -6.335) 6.663 5.484 ( 3.817 4.177 -0.621) 5.692 5.589 ( -0.054 1.425 -4.049) 4.293 5.630 ( -0.243 1.062 -6.626) 6.715 5.673 ( 2.809 -1.456 -2.007) 3.747 5.729 ( 1.445 3.183 -1.866) 3.963 5.771 ( -2.474 -1.750 2.261) 3.781 5.843 ( 2.370 1.129 -6.616) 7.117 5.883 ( 4.848 -0.846 -4.426) 6.619 5.997 ( 1.747 0.724 0.741) 2.031 6.031 ( 3.480 1.281 0.596) 3.756 6.126 ( 1.860 0.775 -0.423) 2.059 6.166 ( 0.904 -2.295 3.596) 4.360 6.260 ( 0.657 -2.973 -2.037) 3.663 6.288 ( 2.184 -0.682 -2.420) 3.330 6.339 ( -2.129 -2.482 2.745) 4.269 6.437 ( -1.654 -1.269 4.617) 5.066 6.500 ( 6.379 -5.029 -3.206) 8.733 6.557 ( 0.488 2.005 8.974) 9.208 6.611 ( -3.630 4.065 9.156) 10.656 6.725 ( -2.189 -2.035 6.224) 6.904 6.819 ( 5.463 0.702 0.320) 5.517 6.856 ( -4.012 5.020 1.770) 6.666 7.000 ( 2.193 -3.282 -2.027) 4.438 7.115 ( -2.155 1.373 -1.972) 3.227 7.147 ( 3.331 -6.516 5.749) 9.306 7.300 ( 0.004 -5.482 -3.876) 6.714 7.359 ( 1.775 5.828 -8.783) 10.690 7.408 ( 4.505 -3.373 1.468) 5.816 7.521 ( -3.313 -2.314 -2.005) 4.511 7.634 ( 0.810 5.766 -8.667) 10.441 7.827 ( 2.198 -1.784 -0.449) 2.866 7.949 ( 0.125 -1.385 3.027) 3.331 7.976 ( 3.444 10.313 -2.375) 11.129 8.065 ( 1.773 -1.354 -1.891) 2.925 8.094 ( -1.554 0.427 1.474) 2.184 8.432 ( -0.054 2.886 5.817) 6.494 8.447 ( -1.136 0.933 0.583) 1.581 8.561 ( 5.355 5.484 0.962) 7.725 8.620 ( 4.064 3.236 -1.151) 5.320 8.664 ( -1.827 -1.056 3.151) 3.792 8.787 ( 5.800 0.342 1.179) 5.928 8.858 ( 7.503 -3.497 -0.711) 8.308 8.916 ( -1.743 -0.463 -0.084) 1.806 8.985 ( -2.146 -2.654 -0.833) 3.513 8.993 ( -3.136 3.363 -2.197) 5.096 9.070 ( -2.210 4.923 2.541) 5.965 9.113 ( 2.021 5.810 -3.557) 7.106 9.298 ( -2.060 -0.564 1.616) 2.678 9.349 ( -3.070 0.613 3.444) 4.654 9.440 ( -3.084 -4.274 -1.419) 5.458 9.574 ( 1.736 -1.249 -2.605) 3.370 9.649 ( -8.402 -12.720 -8.779) 17.591 9.746 ( 3.423 -10.448 1.833) 11.146 9.845 ( -6.352 1.616 -0.834) 6.607 9.985 ( -0.363 -0.345 -0.595) 0.778 10.048 ( 2.155 0.431 -1.906) 2.909 10.193 ( -1.910 -4.267 -0.638) 4.718 10.312 ( 0.873 1.679 -0.473) 1.951 10.342 ( -2.021 0.283 2.164) 2.975 10.559 ( -1.202 -2.812 -0.087) 3.059 10.657 ( 0.654 -1.459 -0.197) 1.611 10.740 ( 2.074 -4.536 2.106) 5.414 10.797 ( -1.536 -1.340 3.303) 3.881 10.896 ( -0.435 2.033 -1.378) 2.495 11.147 ( -1.278 -6.878 -1.569) 7.170 11.294 ( 2.531 -0.240 0.459) 2.584 11.329 ( -1.915 0.558 -0.478) 2.051 11.839 ( 0.006 0.817 3.537) 3.630 11.943 ( -2.582 1.015 3.634) 4.572 12.060 ( -1.091 -4.173 1.111) 4.454 12.092 ( 2.570 7.253 0.903) 7.748 12.156 ( -0.141 -1.500 -0.001) 1.507 12.227 ( 1.081 2.681 2.468) 3.801 12.240 ( 3.499 2.929 3.388) 5.683 12.357 ( -1.704 3.069 0.305) 3.523 12.473 ( 2.504 4.098 -2.392) 5.365 12.501 ( 4.077 1.667 -0.641) 4.451 12.676 ( 3.348 -4.976 0.910) 6.066 12.687 ( -1.091 -0.154 0.947) 1.453 12.817 ( 1.347 -4.343 -0.139) 4.549 12.993 ( 0.057 4.496 1.892) 4.879 13.044 ( -1.208 -1.863 -1.109) 2.482 13.076 ( -8.379 1.414 2.240) 8.788 13.114 ( 4.705 1.820 2.347) 5.565 13.209 ( 2.176 1.688 -1.512) 3.141 13.248 ( -1.801 1.213 4.069) 4.612 13.322 ( -5.440 -2.465 0.097) 5.974 13.406 ( -2.619 -2.764 -0.013) 3.808 13.563 ( 9.999 -3.786 -1.260) 10.766 13.667 ( 2.043 0.721 -2.577) 3.367 13.816 ( 5.188 0.369 -7.405) 9.049 13.870 ( 3.414 0.557 1.901) 3.947 14.202 ( -1.204 -6.956 1.160) 7.154 14.319 ( -0.081 7.340 0.306) 7.346 14.417 ( -2.394 7.427 -0.050) 7.803 14.520 ( 4.661 5.847 -0.925) 7.534 14.619 ( 1.465 5.705 -2.065) 6.242 14.779 ( -0.307 -1.578 2.965) 3.372 14.917 ( 4.409 -3.628 -2.425) 6.204 15.144 ( 5.019 4.892 -6.712) 9.704 15.301 ( 1.430 5.399 -1.862) 5.887 15.367 ( 0.996 -1.874 -1.938) 2.874 15.494 ( 0.717 4.496 -0.051) 4.553 15.572 ( 1.748 -1.201 -0.809) 2.270 15.599 ( -5.808 9.282 3.560) 11.514 15.733 ( 4.537 -2.704 2.861) 6.007 15.921 ( 1.672 -0.550 0.453) 1.817 16.058 ( -0.428 -3.424 -0.558) 3.496 16.119 ( -0.478 -3.845 1.267) 4.076 16.126 ( -3.916 -5.156 4.474) 7.870 16.295 ( 0.806 -4.610 -6.588) 8.081 16.508 ( 0.587 4.045 1.176) 4.253 16.692 ( -7.873 -1.692 -1.628) 8.216 16.774 ( -2.548 -1.008 -0.609) 2.807 16.904 ( -2.309 -3.393 1.405) 4.338 19.191 ( -3.422 -1.834 1.407) 4.129 19.340 ( -3.721 2.904 -2.922) 5.552 19.383 ( 1.260 -5.859 1.604) 6.204 19.682 ( 2.972 -7.459 -5.018) 9.469 20.892 ( -0.695 5.942 0.628) 6.016 21.067 ( -3.148 3.811 -0.570) 4.976 21.118 ( -0.714 -2.739 0.323) 2.849 21.219 ( -0.665 -0.519 2.651) 2.782 24.946 ( -0.862 -0.212 1.789) 1.997 25.007 ( 0.793 -4.064 5.143) 6.603 25.248 ( -1.439 1.402 1.773) 2.680 25.318 ( -2.860 -1.877 5.054) 6.103 25.960 ( 0.313 1.830 -4.686) 5.040 25.986 ( 0.242 0.835 -1.856) 2.049 26.075 ( 2.795 2.905 2.680) 4.841 26.106 ( 1.956 0.525 5.310) 5.683 26.418 ( -6.375 -0.337 -5.443) 8.389 26.538 ( 0.632 -1.800 -4.085) 4.509 26.927 ( 1.895 3.773 0.243) 4.229 27.061 ( -2.360 -0.126 0.418) 2.400 27.120 ( -4.361 -2.034 3.469) 5.932 27.186 ( -3.363 -5.108 4.726) 7.729 27.299 ( -2.588 2.890 1.456) 4.143 27.436 ( -0.736 0.421 -1.272) 1.529 27.460 ( -1.026 0.568 0.212) 1.192 27.591 ( 0.846 -2.769 -1.959) 3.496 27.895 ( -5.131 1.018 -3.874) 6.509 27.905 ( 8.784 5.023 8.976) 13.526 28.062 ( 0.744 2.456 -1.733) 3.096 28.112 ( 0.010 4.050 -0.412) 4.071 28.186 ( 1.761 3.874 0.859) 4.341 28.306 ( -1.446 5.016 0.188) 5.224 28.361 ( 3.666 -1.382 -3.051) 4.966 28.416 ( 1.548 -7.100 1.520) 7.424 28.685 ( 3.346 -1.887 1.480) 4.117 28.770 ( 3.950 -6.529 -1.039) 7.702 29.016 ( 4.783 1.046 6.463) 8.108 29.218 ( 10.572 -2.295 0.408) 10.826 29.363 ( 2.510 3.955 -2.646) 5.380 29.561 ( 3.469 10.722 2.068) 11.458 29.663 ( -1.610 -7.045 -12.518) 14.455 29.825 ( -4.137 -0.020 2.798) 4.994 30.019 ( -3.912 4.344 4.022) 7.096 30.236 ( -8.953 -7.185 3.691) 12.059 30.527 ( 1.584 -2.069 -2.504) 3.614 30.680 ( -2.665 -4.767 1.796) 5.749 30.880 ( 0.171 6.132 -2.353) 6.571 31.214 ( -7.159 -6.201 -9.619) 13.499 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 14.639 -19.278 25.297) 35.013 1.654 ( 14.639 19.278 25.297) 35.013 1.868 ( 5.590 -28.288 7.878) 29.892 1.868 ( 5.590 28.288 7.878) 29.892 2.540 ( 3.912 -2.920 3.291) 5.887 2.540 ( 3.912 2.920 3.291) 5.887 2.814 ( 0.210 -2.126 1.068) 2.388 2.814 ( 0.210 2.126 1.068) 2.388 2.920 ( -4.390 -14.130 5.760) 15.878 2.920 ( -4.390 14.130 5.760) 15.878 3.284 ( 5.304 -5.820 -0.055) 7.874 3.284 ( 5.304 5.820 -0.055) 7.874 3.396 ( -4.511 -2.857 -4.710) 7.120 3.396 ( -4.511 2.857 -4.710) 7.120 3.682 ( -0.667 -3.579 -0.978) 3.770 3.682 ( -0.667 3.579 -0.978) 3.770 3.705 ( -3.219 -3.902 0.659) 5.101 3.705 ( -3.219 3.902 0.659) 5.101 3.822 ( 2.287 -3.274 -3.283) 5.170 3.822 ( 2.287 3.274 -3.283) 5.170 4.008 ( 0.893 -6.191 6.401) 8.949 4.008 ( 0.893 6.191 6.401) 8.949 4.143 ( 3.941 -8.177 -0.242) 9.080 4.143 ( 3.941 8.177 -0.242) 9.080 4.289 ( -0.521 -3.521 -2.417) 4.303 4.289 ( -0.521 3.521 -2.417) 4.303 4.437 ( -4.966 -4.577 11.802) 13.598 4.437 ( -4.966 4.577 11.802) 13.598 4.666 ( -1.011 -7.150 -2.887) 7.777 4.666 ( -1.011 7.150 -2.887) 7.777 4.824 ( -1.221 -2.976 -4.565) 5.584 4.824 ( -1.221 2.976 -4.565) 5.584 4.922 ( -2.122 -6.402 -2.135) 7.074 4.922 ( -2.122 6.402 -2.135) 7.074 5.070 ( -4.265 -9.282 1.290) 10.296 5.070 ( -4.265 9.282 1.290) 10.296 5.191 ( 2.181 -2.368 -0.692) 3.293 5.191 ( 2.181 2.368 -0.692) 3.293 5.286 ( 3.393 -3.227 1.383) 4.883 5.286 ( 3.393 3.227 1.383) 4.883 5.423 ( 2.654 -5.099 -6.418) 8.616 5.423 ( 2.654 5.099 -6.418) 8.616 5.557 ( 1.421 -2.036 -9.365) 9.688 5.557 ( 1.421 2.036 -9.365) 9.688 5.701 ( 2.442 -6.654 -0.934) 7.150 5.701 ( 2.442 6.654 -0.934) 7.150 5.809 ( 1.071 -1.683 -6.007) 6.329 5.809 ( 1.071 1.683 -6.007) 6.329 5.976 ( -0.535 -5.645 0.515) 5.694 5.976 ( -0.535 5.645 0.515) 5.694 6.096 ( -0.085 -7.707 -4.181) 8.768 6.096 ( -0.085 7.707 -4.181) 8.768 6.158 ( -0.352 -2.403 -7.639) 8.016 6.158 ( -0.352 2.403 -7.639) 8.016 6.233 ( -1.264 -3.368 -1.830) 4.036 6.233 ( -1.264 3.368 -1.830) 4.036 6.411 ( -1.829 -2.419 4.596) 5.506 6.411 ( -1.829 2.419 4.596) 5.506 6.578 ( -8.766 -6.656 2.992) 11.406 6.578 ( -8.766 6.656 2.992) 11.406 6.763 ( 0.517 -4.594 2.353) 5.188 6.763 ( 0.517 4.594 2.353) 5.188 6.975 ( -6.463 -5.057 4.434) 9.328 6.975 ( -6.463 5.057 4.434) 9.328 7.132 ( 2.643 -5.193 -0.669) 5.865 7.132 ( 2.643 5.193 -0.669) 5.865 7.323 ( 3.068 -4.476 -0.638) 5.464 7.323 ( 3.068 4.476 -0.638) 5.464 7.473 ( 2.931 -3.115 0.665) 4.328 7.473 ( 2.931 3.115 0.665) 4.328 7.750 ( 2.882 -5.255 -6.541) 8.872 7.750 ( 2.882 5.255 -6.541) 8.872 7.958 ( 0.315 -4.073 -0.347) 4.100 7.958 ( 0.315 4.073 -0.347) 4.100 8.133 ( -2.501 -1.624 1.910) 3.541 8.133 ( -2.501 1.624 1.910) 3.541 8.424 ( -4.345 -2.879 1.163) 5.340 8.424 ( -4.345 2.879 1.163) 5.340 8.702 ( -2.364 -4.302 2.574) 5.543 8.702 ( -2.364 4.302 2.574) 5.543 8.773 ( 2.047 -6.645 2.510) 7.392 8.773 ( 2.047 6.645 2.510) 7.392 8.884 ( -1.625 -1.980 -4.849) 5.484 8.884 ( -1.625 1.980 -4.849) 5.484 8.981 ( 8.670 -5.163 -1.845) 10.259 8.981 ( 8.670 5.163 -1.845) 10.259 9.162 ( -4.836 -6.074 0.954) 7.823 9.162 ( -4.836 6.074 0.954) 7.823 9.238 ( 1.847 -1.023 -2.454) 3.237 9.238 ( 1.847 1.023 -2.454) 3.237 9.506 ( -0.081 -7.667 1.777) 7.870 9.506 ( -0.081 7.667 1.777) 7.870 9.594 ( 3.316 -6.568 2.751) 7.855 9.594 ( 3.316 6.568 2.751) 7.855 9.903 ( -0.848 -5.792 -2.036) 6.198 9.903 ( -0.848 5.792 -2.036) 6.198 10.081 ( 2.029 -0.719 -1.212) 2.470 10.081 ( 2.029 0.719 -1.212) 2.470 10.328 ( -1.150 -1.940 3.613) 4.259 10.328 ( -1.150 1.940 3.613) 4.259 10.616 ( 1.680 -6.760 2.183) 7.300 10.616 ( 1.680 6.760 2.183) 7.300 10.743 ( -0.923 -4.431 1.945) 4.927 10.743 ( -0.923 4.431 1.945) 4.927 11.009 ( 2.508 -3.991 2.050) 5.140 11.009 ( 2.508 3.991 2.050) 5.140 11.271 ( -3.702 -2.942 -3.322) 5.779 11.271 ( -3.702 2.942 -3.322) 5.779 11.888 ( 0.203 -2.712 0.549) 2.774 11.888 ( 0.203 2.712 0.549) 2.774 12.064 ( -1.304 -3.598 -0.363) 3.844 12.064 ( -1.304 3.598 -0.363) 3.844 12.293 ( -2.429 -1.227 2.554) 3.732 12.293 ( -2.429 1.227 2.554) 3.732 12.360 ( 3.190 -6.947 2.413) 8.016 12.360 ( 3.190 6.947 2.413) 8.016 12.566 ( 1.849 -4.662 1.930) 5.374 12.566 ( 1.849 4.662 1.930) 5.374 12.645 ( -0.949 -4.336 0.784) 4.507 12.645 ( -0.949 4.336 0.784) 4.507 12.850 ( -2.420 -3.058 -3.883) 5.503 12.850 ( -2.420 3.058 -3.883) 5.503 13.090 ( 0.065 -5.876 -0.143) 5.878 13.090 ( 0.065 5.876 -0.143) 5.878 13.138 ( -0.693 -6.041 2.465) 6.562 13.138 ( -0.693 6.041 2.465) 6.562 13.272 ( 0.536 -3.581 3.049) 4.734 13.272 ( 0.536 3.581 3.049) 4.734 13.533 ( -2.557 -6.876 1.039) 7.410 13.533 ( -2.557 6.876 1.039) 7.410 13.763 ( 7.681 -2.259 -4.046) 8.970 13.763 ( 7.681 2.259 -4.046) 8.970 14.047 ( -0.068 -4.769 6.669) 8.199 14.047 ( -0.068 4.769 6.669) 8.199 14.489 ( -1.249 -6.144 -2.649) 6.806 14.489 ( -1.249 6.144 -2.649) 6.806 14.617 ( -0.779 -9.269 -0.258) 9.306 14.617 ( -0.779 9.269 -0.258) 9.306 14.794 ( -0.724 -7.655 -4.438) 8.878 14.794 ( -0.724 7.655 -4.438) 8.878 15.267 ( 0.455 -3.085 -4.143) 5.185 15.267 ( 0.455 3.085 -4.143) 5.185 15.429 ( 2.218 -3.659 -0.793) 4.352 15.429 ( 2.218 3.659 -0.793) 4.352 15.711 ( -1.528 -0.319 -1.444) 2.126 15.711 ( -1.528 0.319 -1.444) 2.126 15.760 ( -3.289 -7.633 -1.213) 8.399 15.760 ( -3.289 7.633 -1.213) 8.399 15.989 ( -1.190 -2.320 3.986) 4.763 15.989 ( -1.190 2.320 3.986) 4.763 16.173 ( 2.345 -4.674 -1.651) 5.484 16.173 ( 2.345 4.674 -1.651) 5.484 16.579 ( 0.911 -0.971 0.202) 1.346 16.579 ( 0.911 0.971 0.202) 1.346 16.761 ( -2.531 -0.569 -4.572) 5.257 16.761 ( -2.531 0.569 -4.572) 5.257 19.224 ( -2.814 -6.683 -0.155) 7.253 19.224 ( -2.814 6.683 -0.155) 7.253 19.467 ( 2.213 -8.139 -3.613) 9.176 19.467 ( 2.213 8.139 -3.613) 9.176 21.048 ( 1.347 -5.675 2.446) 6.324 21.048 ( 1.347 5.675 2.446) 6.324 21.118 ( -1.753 -3.528 -0.089) 3.941 21.118 ( -1.753 3.528 -0.089) 3.941 24.971 ( -0.609 -1.498 2.910) 3.329 24.971 ( -0.609 1.498 2.910) 3.329 25.273 ( -0.711 -1.316 2.264) 2.714 25.273 ( -0.711 1.316 2.264) 2.714 25.973 ( -0.028 -1.106 -2.555) 2.784 25.973 ( -0.028 1.106 -2.555) 2.784 26.122 ( -1.003 -0.638 1.267) 1.737 26.122 ( -1.003 0.638 1.267) 1.737 26.512 ( 5.016 -3.073 3.550) 6.871 26.512 ( 5.016 3.073 3.550) 6.871 27.006 ( -1.251 -0.856 -2.068) 2.564 27.006 ( -1.251 0.856 -2.068) 2.564 27.092 ( -2.018 -4.991 4.004) 6.710 27.092 ( -2.018 4.991 4.004) 6.710 27.344 ( -1.606 -3.992 -2.010) 4.749 27.344 ( -1.606 3.992 -2.010) 4.749 27.533 ( 2.238 -4.149 0.854) 4.791 27.533 ( 2.238 4.149 0.854) 4.791 27.854 ( -4.339 -4.911 -3.414) 7.389 27.854 ( -4.339 4.911 -3.414) 7.389 28.195 ( 0.767 -5.330 0.526) 5.411 28.195 ( 0.767 5.330 0.526) 5.411 28.222 ( -1.869 -5.728 1.010) 6.109 28.222 ( -1.869 5.728 1.010) 6.109 28.391 ( 1.465 -3.768 1.574) 4.338 28.391 ( 1.465 3.768 1.574) 4.338 28.733 ( 1.626 -4.108 -1.253) 4.592 28.733 ( 1.626 4.108 -1.253) 4.592 29.217 ( -3.622 -7.600 1.306) 8.520 29.217 ( -3.622 7.600 1.306) 8.520 29.448 ( 5.075 -2.571 -2.485) 6.208 29.448 ( 5.075 2.571 -2.485) 6.208 29.811 ( 3.298 -1.972 3.461) 5.171 29.811 ( 3.298 1.972 3.461) 5.171 30.077 ( -3.961 -3.526 4.463) 6.931 30.077 ( -3.961 3.526 4.463) 6.931 30.604 ( 0.280 -2.417 0.220) 2.443 30.604 ( 0.280 2.417 0.220) 2.443 30.952 ( 2.324 -5.019 -6.391) 8.452 30.952 ( 2.324 5.019 -6.391) 8.452 ======================= Grid point 63 (33/63) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 9.237 -18.294 7.420) 21.796 1.966 ( 9.237 18.294 7.420) 21.796 2.243 ( 8.052 -15.389 15.846) 23.511 2.243 ( 8.052 15.389 15.846) 23.511 2.684 ( 11.676 -6.260 -7.287) 15.120 2.684 ( 11.676 6.260 -7.287) 15.120 2.891 ( -2.732 -5.653 6.970) 9.381 2.891 ( -2.732 5.653 6.970) 9.381 2.924 ( 3.217 -4.722 0.634) 5.749 2.924 ( 3.217 4.722 0.634) 5.749 3.076 ( -8.713 -4.999 -10.322) 14.402 3.076 ( -8.713 4.999 -10.322) 14.402 3.433 ( -5.160 -4.147 1.932) 6.896 3.433 ( -5.160 4.147 1.932) 6.896 3.648 ( 3.312 -11.557 -2.493) 12.278 3.648 ( 3.312 11.557 -2.493) 12.278 3.700 ( 2.029 -6.748 5.818) 9.138 3.700 ( 2.029 6.748 5.818) 9.138 3.859 ( 1.775 -3.038 0.718) 3.591 3.859 ( 1.775 3.038 0.718) 3.591 4.086 ( 0.947 -6.321 -0.361) 6.401 4.086 ( 0.947 6.321 -0.361) 6.401 4.228 ( 3.023 -7.492 4.279) 9.143 4.228 ( 3.023 7.492 4.279) 9.143 4.275 ( 3.134 -5.595 -2.227) 6.788 4.275 ( 3.134 5.595 -2.227) 6.788 4.419 ( -6.608 -2.644 2.818) 7.655 4.419 ( -6.608 2.644 2.818) 7.655 4.584 ( -3.196 -7.096 0.758) 7.820 4.584 ( -3.196 7.096 0.758) 7.820 4.767 ( -1.845 -4.059 -1.243) 4.628 4.767 ( -1.845 4.059 -1.243) 4.628 4.878 ( -0.398 -6.559 -0.033) 6.571 4.878 ( -0.398 6.559 -0.033) 6.571 5.050 ( 0.794 -5.343 2.863) 6.113 5.050 ( 0.794 5.343 2.863) 6.113 5.177 ( -1.006 -3.487 -3.372) 4.954 5.177 ( -1.006 3.487 -3.372) 4.954 5.317 ( 0.252 -7.121 0.248) 7.129 5.317 ( 0.252 7.121 0.248) 7.129 5.448 ( 0.011 -6.410 -1.405) 6.562 5.448 ( 0.011 6.410 -1.405) 6.562 5.531 ( 5.593 -5.828 -7.031) 10.709 5.531 ( 5.593 5.828 -7.031) 10.709 5.660 ( -4.645 -8.206 -0.527) 9.444 5.660 ( -4.645 8.206 -0.527) 9.444 5.782 ( 3.438 -4.604 -7.234) 9.238 5.782 ( 3.438 4.604 -7.234) 9.238 5.937 ( -1.533 -5.588 -0.224) 5.799 5.937 ( -1.533 5.588 -0.224) 5.799 6.042 ( 3.899 -6.878 -6.146) 10.014 6.042 ( 3.899 6.878 -6.146) 10.014 6.107 ( -1.978 -4.552 -3.720) 6.202 6.107 ( -1.978 4.552 -3.720) 6.202 6.228 ( 2.510 -2.459 0.198) 3.519 6.228 ( 2.510 2.459 0.198) 3.519 6.375 ( -5.332 -2.863 -0.587) 6.080 6.375 ( -5.332 2.863 -0.587) 6.080 6.494 ( -5.561 -5.804 5.853) 9.944 6.494 ( -5.561 5.804 5.853) 9.944 6.785 ( -2.880 -1.118 5.893) 6.654 6.785 ( -2.880 1.118 5.893) 6.654 6.906 ( -4.039 -3.199 1.890) 5.488 6.906 ( -4.039 3.199 1.890) 5.488 7.144 ( -0.795 -4.703 0.928) 4.859 7.144 ( -0.795 4.703 0.928) 4.859 7.379 ( 2.998 -1.163 -0.230) 3.224 7.379 ( 2.998 1.163 -0.230) 3.224 7.526 ( 1.569 -3.606 0.890) 4.032 7.526 ( 1.569 3.606 0.890) 4.032 7.709 ( 0.400 -2.978 -8.240) 8.770 7.709 ( 0.400 2.978 -8.240) 8.770 7.960 ( -0.063 -5.019 1.224) 5.167 7.960 ( -0.063 5.019 1.224) 5.167 8.108 ( -2.557 -3.572 1.780) 4.740 8.108 ( -2.557 3.572 1.780) 4.740 8.374 ( -1.900 -5.216 -0.974) 5.636 8.374 ( -1.900 5.216 -0.974) 5.636 8.637 ( -4.217 -1.490 -0.363) 4.487 8.637 ( -4.217 1.490 -0.363) 4.487 8.790 ( -5.872 -2.235 1.210) 6.398 8.790 ( -5.872 2.235 1.210) 6.398 8.855 ( 2.018 -6.122 3.391) 7.284 8.855 ( 2.018 6.122 3.391) 7.284 9.050 ( 0.053 -5.696 -4.247) 7.105 9.050 ( 0.053 5.696 -4.247) 7.105 9.121 ( 3.540 -0.743 -0.926) 3.733 9.121 ( 3.540 0.743 -0.926) 3.733 9.264 ( 2.219 -3.623 -0.717) 4.309 9.264 ( 2.219 3.623 -0.717) 4.309 9.522 ( -0.453 -6.018 1.372) 6.189 9.522 ( -0.453 6.018 1.372) 6.189 9.660 ( 2.704 -5.435 -1.068) 6.164 9.660 ( 2.704 5.435 -1.068) 6.164 9.891 ( 0.865 -7.158 0.580) 7.233 9.891 ( 0.865 7.158 0.580) 7.233 10.097 ( 0.692 -3.213 -2.301) 4.012 10.097 ( 0.692 3.213 -2.301) 4.012 10.349 ( 0.059 -3.846 1.633) 4.179 10.349 ( 0.059 3.846 1.633) 4.179 10.661 ( 0.167 -4.390 1.949) 4.806 10.661 ( 0.167 4.390 1.949) 4.806 10.731 ( -2.008 -3.754 1.232) 4.432 10.731 ( -2.008 3.754 1.232) 4.432 11.072 ( 1.048 -3.212 -0.263) 3.389 11.072 ( 1.048 3.212 -0.263) 3.389 11.186 ( -1.700 -2.664 0.704) 3.238 11.186 ( -1.700 2.664 0.704) 3.238 11.888 ( 0.289 -1.324 -1.254) 1.846 11.888 ( 0.289 1.324 -1.254) 1.846 12.056 ( 0.573 -2.748 0.936) 2.959 12.056 ( 0.573 2.748 0.936) 2.959 12.276 ( -2.051 -1.253 3.062) 3.893 12.276 ( -2.051 1.253 3.062) 3.893 12.420 ( 1.241 -4.247 -0.197) 4.429 12.420 ( 1.241 4.247 -0.197) 4.429 12.558 ( -2.355 -5.144 0.857) 5.722 12.558 ( -2.355 5.144 0.857) 5.722 12.649 ( -3.216 -4.652 4.126) 7.001 12.649 ( -3.216 4.652 4.126) 7.001 12.808 ( 1.857 -1.368 -3.744) 4.397 12.808 ( 1.857 1.368 -3.744) 4.397 13.058 ( -2.121 -7.150 0.225) 7.462 13.058 ( -2.121 7.150 0.225) 7.462 13.153 ( -1.119 -1.433 0.451) 1.873 13.153 ( -1.119 1.433 0.451) 1.873 13.362 ( 4.771 -5.634 2.512) 7.798 13.362 ( 4.771 5.634 2.512) 7.798 13.415 ( -7.219 -0.778 2.007) 7.533 13.415 ( -7.219 0.778 2.007) 7.533 13.835 ( 3.338 -1.298 -3.714) 5.160 13.835 ( 3.338 1.298 -3.714) 5.160 14.134 ( -0.666 -0.961 8.350) 8.432 14.134 ( -0.666 0.961 8.350) 8.432 14.407 ( -3.766 -1.799 -5.454) 6.868 14.407 ( -3.766 1.799 -5.454) 6.868 14.616 ( 1.805 -6.647 1.045) 6.967 14.616 ( 1.805 6.647 1.045) 6.967 14.723 ( -1.884 -9.286 -4.466) 10.475 14.723 ( -1.884 9.286 -4.466) 10.475 15.219 ( -1.064 -4.210 -3.001) 5.278 15.219 ( -1.064 4.210 -3.001) 5.278 15.434 ( -0.383 -1.949 -2.421) 3.131 15.434 ( -0.383 1.949 -2.421) 3.131 15.647 ( -3.583 -2.939 -0.230) 4.640 15.647 ( -3.583 2.939 -0.230) 4.640 15.742 ( 2.748 -5.666 -1.346) 6.439 15.742 ( 2.748 5.666 -1.346) 6.439 15.997 ( -2.625 -1.014 3.603) 4.572 15.997 ( -2.625 1.014 3.603) 4.572 16.214 ( 3.857 -3.882 -1.355) 5.638 16.214 ( 3.857 3.882 -1.355) 5.638 16.614 ( 1.789 -6.898 0.686) 7.159 16.614 ( 1.789 6.898 0.686) 7.159 16.716 ( 2.777 -2.224 -2.719) 4.477 16.716 ( 2.777 2.224 -2.719) 4.477 19.194 ( -0.253 -6.145 0.493) 6.170 19.194 ( -0.253 6.145 0.493) 6.170 19.470 ( 1.223 -5.947 -2.546) 6.584 19.470 ( 1.223 5.947 -2.546) 6.584 21.057 ( -1.704 -5.092 0.279) 5.377 21.057 ( -1.704 5.092 0.279) 5.377 21.136 ( 2.551 -5.976 0.652) 6.531 21.136 ( 2.551 5.976 0.652) 6.531 24.989 ( -0.275 -1.355 2.234) 2.627 24.989 ( -0.275 1.355 2.234) 2.627 25.305 ( 1.748 -1.182 2.193) 3.043 25.305 ( 1.748 1.182 2.193) 3.043 25.939 ( -0.772 -1.336 -2.099) 2.605 25.939 ( -0.772 1.336 -2.099) 2.605 26.128 ( -0.162 -0.445 1.772) 1.834 26.128 ( -0.162 0.445 1.772) 1.834 26.639 ( 4.435 -2.100 1.836) 5.239 26.639 ( 4.435 2.100 1.836) 5.239 26.972 ( 1.336 -1.218 -2.256) 2.891 26.972 ( 1.336 1.218 -2.256) 2.891 27.106 ( -1.520 -4.751 4.733) 6.876 27.106 ( -1.520 4.751 4.733) 6.876 27.309 ( 0.048 -4.164 -1.804) 4.539 27.309 ( 0.048 4.164 -1.804) 4.539 27.598 ( 3.293 -6.021 0.776) 6.907 27.598 ( 3.293 6.021 0.776) 6.907 27.763 ( -1.756 -5.372 -1.742) 5.914 27.763 ( -1.756 5.372 -1.742) 5.914 28.178 ( -2.783 -7.156 0.738) 7.713 28.178 ( -2.783 7.156 0.738) 7.713 28.227 ( 1.234 -4.286 1.092) 4.592 28.227 ( 1.234 4.286 1.092) 4.592 28.422 ( 0.052 -4.904 0.493) 4.929 28.422 ( 0.052 4.904 0.493) 4.929 28.680 ( -5.624 -2.116 -2.323) 6.442 28.680 ( -5.624 2.116 -2.323) 6.442 29.113 ( -8.861 -5.737 3.249) 11.045 29.113 ( -8.861 5.737 3.249) 11.045 29.490 ( 1.763 -4.789 -5.141) 7.244 29.490 ( 1.763 4.789 -5.141) 7.244 29.893 ( 2.659 -7.555 1.058) 8.079 29.893 ( 2.659 7.555 1.058) 8.079 30.064 ( -3.631 -3.922 5.367) 7.575 30.064 ( -3.631 3.922 5.367) 7.575 30.562 ( -3.052 -6.330 -0.404) 7.039 30.562 ( -3.052 6.330 -0.404) 7.039 31.045 ( 13.212 -7.585 -4.589) 15.911 31.045 ( 13.212 7.585 -4.589) 15.911 ======================= Grid point 65 (34/63) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 4.835 -10.544 -1.599) 11.710 2.161 ( 4.835 10.544 -1.599) 11.710 2.367 ( -4.199 -13.439 7.075) 15.757 2.367 ( -4.199 13.439 7.075) 15.757 2.470 ( -10.391 -6.867 -19.941) 23.511 2.470 ( -10.391 6.867 -19.941) 23.511 2.779 ( -1.894 -4.286 -11.953) 12.839 2.779 ( -1.894 4.286 -11.953) 12.839 2.920 ( 6.728 -9.129 -7.056) 13.356 2.920 ( 6.728 9.129 -7.056) 13.356 3.146 ( 1.939 -1.926 9.033) 9.437 3.146 ( 1.939 1.926 9.033) 9.437 3.369 ( -2.577 -4.469 3.234) 6.089 3.369 ( -2.577 4.469 3.234) 6.089 3.642 ( 0.896 -8.873 -9.237) 12.839 3.642 ( 0.896 8.873 -9.237) 12.839 3.798 ( 0.433 -4.994 6.327) 8.072 3.798 ( 0.433 4.994 6.327) 8.072 3.950 ( 1.773 -3.030 6.945) 7.782 3.950 ( 1.773 3.030 6.945) 7.782 4.066 ( 1.655 -6.473 -3.712) 7.643 4.066 ( 1.655 6.473 -3.712) 7.643 4.224 ( -0.968 -1.921 1.548) 2.650 4.224 ( -0.968 1.921 1.548) 2.650 4.317 ( 2.073 -7.558 -3.428) 8.554 4.317 ( 2.073 7.558 -3.428) 8.554 4.442 ( 3.000 -10.461 7.022) 12.952 4.442 ( 3.000 10.461 7.022) 12.952 4.618 ( 2.937 -10.836 1.819) 11.374 4.618 ( 2.937 10.836 1.819) 11.374 4.788 ( 1.681 -6.644 9.026) 11.333 4.788 ( 1.681 6.644 9.026) 11.333 4.880 ( -1.104 -7.410 0.790) 7.533 4.880 ( -1.104 7.410 0.790) 7.533 5.059 ( -2.359 -5.701 -2.237) 6.563 5.059 ( -2.359 5.701 -2.237) 6.563 5.135 ( -0.122 -3.680 -0.460) 3.711 5.135 ( -0.122 3.680 -0.460) 3.711 5.310 ( -2.341 -8.773 -1.904) 9.277 5.310 ( -2.341 8.773 -1.904) 9.277 5.400 ( -1.039 -0.468 -0.650) 1.312 5.400 ( -1.039 0.468 -0.650) 1.312 5.514 ( 1.453 -2.886 -5.736) 6.584 5.514 ( 1.453 2.886 -5.736) 6.584 5.676 ( -4.970 -5.519 -0.331) 7.434 5.676 ( -4.970 5.519 -0.331) 7.434 5.727 ( 3.647 -0.811 1.677) 4.095 5.727 ( 3.647 0.811 1.677) 4.095 5.927 ( 2.376 -3.223 -7.014) 8.076 5.927 ( 2.376 3.223 -7.014) 8.076 6.050 ( -0.780 -3.951 -0.266) 4.036 6.050 ( -0.780 3.951 -0.266) 4.036 6.139 ( 4.658 -7.285 -3.448) 9.309 6.139 ( 4.658 7.285 -3.448) 9.309 6.242 ( 2.556 -8.124 1.285) 8.613 6.242 ( 2.556 8.124 1.285) 8.613 6.298 ( -2.415 -2.214 3.746) 4.976 6.298 ( -2.415 2.214 3.746) 4.976 6.507 ( -0.804 -5.362 6.670) 8.596 6.507 ( -0.804 5.362 6.670) 8.596 6.786 ( -4.124 -2.299 6.027) 7.657 6.786 ( -4.124 2.299 6.027) 7.657 6.883 ( -1.319 -4.147 2.557) 5.048 6.883 ( -1.319 4.147 2.557) 5.048 7.129 ( -3.168 -6.898 2.000) 7.850 7.129 ( -3.168 6.898 2.000) 7.850 7.386 ( 0.053 -1.268 -4.647) 4.817 7.386 ( 0.053 1.268 -4.647) 4.817 7.542 ( -0.906 -5.855 1.312) 6.068 7.542 ( -0.906 5.855 1.312) 6.068 7.615 ( -1.676 -3.708 -4.775) 6.274 7.615 ( -1.676 3.708 -4.775) 6.274 7.979 ( -1.009 -2.862 3.446) 4.592 7.979 ( -1.009 2.862 3.446) 4.592 8.105 ( 1.582 -5.155 -0.090) 5.393 8.105 ( 1.582 5.155 -0.090) 5.393 8.297 ( -4.789 -4.298 -3.450) 7.302 8.297 ( -4.789 4.298 -3.450) 7.302 8.598 ( 0.205 -4.043 -0.844) 4.136 8.598 ( 0.205 4.043 -0.844) 4.136 8.703 ( -5.098 -5.216 0.765) 7.334 8.703 ( -5.098 5.216 0.765) 7.334 8.867 ( -2.186 -3.865 -0.766) 4.506 8.867 ( -2.186 3.865 -0.766) 4.506 9.043 ( 1.106 -0.386 2.365) 2.639 9.043 ( 1.106 0.386 2.365) 2.639 9.185 ( 4.569 -0.729 -1.575) 4.887 9.185 ( 4.569 0.729 -1.575) 4.887 9.294 ( 1.647 -4.681 0.332) 4.973 9.294 ( 1.647 4.681 0.332) 4.973 9.501 ( -1.898 -6.579 -1.456) 7.000 9.501 ( -1.898 6.579 -1.456) 7.000 9.658 ( -0.126 -4.467 -3.011) 5.388 9.658 ( -0.126 4.467 -3.011) 5.388 9.932 ( 1.868 -6.466 2.180) 7.075 9.932 ( 1.868 6.466 2.180) 7.075 10.077 ( 1.098 -2.284 -2.594) 3.626 10.077 ( 1.098 2.284 -2.594) 3.626 10.359 ( 0.519 -5.032 -0.483) 5.082 10.359 ( 0.519 5.032 -0.483) 5.082 10.629 ( -2.633 -3.235 -4.006) 5.783 10.629 ( -2.633 3.235 -4.006) 5.783 10.714 ( -3.464 -5.763 4.729) 8.220 10.714 ( -3.464 5.763 4.729) 8.220 11.025 ( -0.733 -3.168 -4.009) 5.162 11.025 ( -0.733 3.168 -4.009) 5.162 11.244 ( 2.104 -2.009 4.426) 5.296 11.244 ( 2.104 2.009 4.426) 5.296 11.878 ( -0.188 -1.456 -0.408) 1.524 11.878 ( -0.188 1.456 -0.408) 1.524 12.108 ( 2.956 -2.402 2.810) 4.733 12.108 ( 2.956 2.402 2.810) 4.733 12.280 ( -1.060 -4.086 1.668) 4.539 12.280 ( -1.060 4.086 1.668) 4.539 12.373 ( -4.497 -1.873 -0.988) 4.970 12.373 ( -4.497 1.873 -0.988) 4.970 12.553 ( -2.163 -1.521 1.360) 2.973 12.553 ( -2.163 1.521 1.360) 2.973 12.619 ( -0.715 -2.371 -0.030) 2.477 12.619 ( -0.715 2.371 -0.030) 2.477 12.790 ( -2.515 -3.090 0.281) 3.994 12.790 ( -2.515 3.090 0.281) 3.994 12.998 ( -2.326 -4.843 -2.469) 5.913 12.998 ( -2.326 4.843 -2.469) 5.913 13.156 ( 0.074 -3.359 1.531) 3.693 13.156 ( 0.074 3.359 1.531) 3.693 13.346 ( -1.752 -5.096 4.519) 7.032 13.346 ( -1.752 5.096 4.519) 7.032 13.513 ( 8.563 -2.341 -0.902) 8.923 13.513 ( 8.563 2.341 -0.902) 8.923 13.808 ( -0.281 -2.651 -5.835) 6.416 13.808 ( -0.281 2.651 -5.835) 6.416 14.155 ( -5.679 -4.241 8.409) 10.997 14.155 ( -5.679 4.241 8.409) 10.997 14.251 ( -6.960 -5.104 -6.078) 10.556 14.251 ( -6.960 5.104 -6.078) 10.556 14.631 ( -4.062 -5.880 0.911) 7.205 14.631 ( -4.062 5.880 0.911) 7.205 14.740 ( 8.062 -4.993 -0.452) 9.494 14.740 ( 8.062 4.993 -0.452) 9.494 15.188 ( 0.771 -7.779 -2.713) 8.275 15.188 ( 0.771 7.779 -2.713) 8.275 15.385 ( -0.485 -3.307 -4.078) 5.273 15.385 ( -0.485 3.307 -4.078) 5.273 15.588 ( -3.629 -1.116 1.007) 3.928 15.588 ( -3.629 1.116 1.007) 3.928 15.812 ( 4.211 -5.544 1.149) 7.056 15.812 ( 4.211 5.544 1.149) 7.056 15.978 ( -3.966 -5.111 4.388) 7.817 15.978 ( -3.966 5.111 4.388) 7.817 16.264 ( 3.183 -2.516 -1.050) 4.191 16.264 ( 3.183 2.516 -1.050) 4.191 16.658 ( 2.124 -8.284 1.459) 8.675 16.658 ( 2.124 8.284 1.459) 8.675 16.779 ( 6.388 -1.374 -2.241) 6.907 16.779 ( 6.388 1.374 -2.241) 6.907 19.213 ( 0.611 -5.878 1.447) 6.084 19.213 ( 0.611 5.878 1.447) 6.084 19.455 ( -0.387 -4.567 -1.616) 4.860 19.455 ( -0.387 4.567 -1.616) 4.860 21.034 ( -0.234 -2.496 -0.931) 2.675 21.034 ( -0.234 2.496 -0.931) 2.675 21.174 ( 0.743 -4.313 1.043) 4.499 21.174 ( 0.743 4.313 1.043) 4.499 25.003 ( -0.072 -0.914 1.007) 1.362 25.003 ( -0.072 0.914 1.007) 1.362 25.365 ( 2.478 -2.662 1.764) 4.042 25.365 ( 2.478 2.662 1.764) 4.042 25.915 ( -0.506 -1.677 -0.502) 1.822 25.915 ( -0.506 1.677 -0.502) 1.822 26.137 ( -0.709 -0.057 1.084) 1.296 26.137 ( -0.709 0.057 1.084) 1.296 26.673 ( 2.416 -4.279 -4.771) 6.849 26.673 ( 2.416 4.279 -4.771) 6.849 27.008 ( 1.069 -0.146 2.124) 2.382 27.008 ( 1.069 0.146 2.124) 2.382 27.150 ( 2.045 -2.902 3.696) 5.124 27.150 ( 2.045 2.902 3.696) 5.124 27.313 ( 1.114 -2.645 0.661) 2.945 27.313 ( 1.114 2.645 0.661) 2.945 27.603 ( -0.003 -4.834 -3.480) 5.956 27.603 ( -0.003 4.834 -3.480) 5.956 27.818 ( 4.795 -5.940 5.613) 9.475 27.818 ( 4.795 5.940 5.613) 9.475 28.154 ( -1.486 -6.972 1.538) 7.292 28.154 ( -1.486 6.972 1.538) 7.292 28.252 ( 0.169 -3.923 0.595) 3.971 28.252 ( 0.169 3.923 0.595) 3.971 28.363 ( -6.039 -6.593 -3.956) 9.777 28.363 ( -6.039 6.593 -3.956) 9.777 28.546 ( -4.736 -3.077 -1.723) 5.905 28.546 ( -4.736 3.077 -1.723) 5.905 28.997 ( -7.821 -4.693 2.269) 9.399 28.997 ( -7.821 4.693 2.269) 9.399 29.419 ( -2.670 -9.251 -5.071) 10.883 29.419 ( -2.670 9.251 -5.071) 10.883 29.918 ( 0.946 -4.906 -2.026) 5.392 29.918 ( 0.946 4.906 -2.026) 5.392 30.049 ( -4.663 -3.803 5.872) 8.408 30.049 ( -4.663 3.803 5.872) 8.408 30.549 ( 1.428 -10.938 0.728) 11.055 30.549 ( 1.428 10.938 0.728) 11.055 31.232 ( 12.110 -6.240 -4.037) 14.209 31.232 ( 12.110 6.240 -4.037) 14.209 ======================= Grid point 67 (35/63) ======================= q-point: ( 0.38 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -1.112 -8.194 -9.570) 12.647 1.979 ( -1.112 8.194 -9.570) 12.647 2.338 ( -6.852 -6.932 7.543) 12.325 2.338 ( -6.852 6.932 7.543) 12.325 2.378 ( -1.078 -4.781 3.925) 6.279 2.378 ( -1.078 4.781 3.925) 6.279 2.662 ( 4.930 -8.702 -8.763) 13.297 2.662 ( 4.930 8.702 -8.763) 13.297 3.029 ( 9.948 -9.596 -3.431) 14.242 3.029 ( 9.948 9.596 -3.431) 14.242 3.246 ( 1.494 -3.504 4.734) 6.077 3.246 ( 1.494 3.504 4.734) 6.077 3.355 ( -2.468 -4.662 1.914) 5.612 3.355 ( -2.468 4.662 1.914) 5.612 3.577 ( 2.840 -7.815 -6.173) 10.356 3.577 ( 2.840 7.815 -6.173) 10.356 3.857 ( -1.687 -5.909 2.932) 6.809 3.857 ( -1.687 5.909 2.932) 6.809 3.960 ( 0.330 -4.778 2.027) 5.201 3.960 ( 0.330 4.778 2.027) 5.201 4.090 ( 0.471 -3.325 1.260) 3.586 4.090 ( 0.471 3.325 1.260) 3.586 4.239 ( -1.650 -13.320 -0.897) 13.452 4.239 ( -1.650 13.320 -0.897) 13.452 4.333 ( 4.382 -4.149 -5.110) 7.907 4.333 ( 4.382 4.149 -5.110) 7.907 4.490 ( 0.862 -2.895 2.277) 3.783 4.490 ( 0.862 2.895 2.277) 3.783 4.747 ( 4.287 -10.128 3.861) 11.656 4.747 ( 4.287 10.128 3.861) 11.656 4.833 ( -4.589 -4.977 -0.474) 6.786 4.833 ( -4.589 4.977 -0.474) 6.786 4.933 ( 1.566 -4.655 8.439) 9.764 4.933 ( 1.566 4.655 8.439) 9.764 4.978 ( -2.660 -7.386 -0.743) 7.885 4.978 ( -2.660 7.386 -0.743) 7.885 5.124 ( -0.877 -3.989 -1.608) 4.389 5.124 ( -0.877 3.989 -1.608) 4.389 5.211 ( -3.892 -7.618 -4.447) 9.642 5.211 ( -3.892 7.618 -4.447) 9.642 5.395 ( -2.887 -1.782 -4.673) 5.775 5.395 ( -2.887 1.782 -4.673) 5.775 5.481 ( 1.190 -5.946 6.200) 8.673 5.481 ( 1.190 5.946 6.200) 8.673 5.596 ( 0.389 -3.111 -4.581) 5.551 5.596 ( 0.389 3.111 -4.581) 5.551 5.804 ( 0.271 -4.249 0.075) 4.258 5.804 ( 0.271 4.249 0.075) 4.258 5.853 ( -0.882 -1.954 -6.868) 7.195 5.853 ( -0.882 1.954 -6.868) 7.195 6.026 ( -2.845 -2.682 2.201) 4.487 6.026 ( -2.845 2.682 2.201) 4.487 6.140 ( 4.681 -1.960 -6.216) 8.024 6.140 ( 4.681 1.960 -6.216) 8.024 6.330 ( 1.647 -0.930 1.711) 2.551 6.330 ( 1.647 0.930 1.711) 2.551 6.376 ( 5.356 -5.916 3.619) 8.762 6.376 ( 5.356 5.916 3.619) 8.762 6.553 ( -1.909 -5.266 3.664) 6.693 6.553 ( -1.909 5.266 3.664) 6.693 6.751 ( -4.485 -3.291 1.208) 5.692 6.751 ( -4.485 3.291 1.208) 5.692 6.900 ( -2.144 -4.658 4.138) 6.589 6.900 ( -2.144 4.658 4.138) 6.589 7.074 ( -3.144 -8.183 0.379) 8.775 7.074 ( -3.144 8.183 0.379) 8.775 7.319 ( -1.567 -2.462 -3.264) 4.379 7.319 ( -1.567 2.462 -3.264) 4.379 7.535 ( -1.305 -7.946 3.361) 8.726 7.535 ( -1.305 7.946 3.361) 8.726 7.597 ( 0.856 -4.612 -0.092) 4.692 7.597 ( 0.856 4.612 -0.092) 4.692 7.960 ( -2.966 -6.614 -2.052) 7.534 7.960 ( -2.966 6.614 -2.052) 7.534 8.087 ( -1.254 -5.168 -5.484) 7.639 8.087 ( -1.254 5.168 -5.484) 7.639 8.257 ( 2.351 -2.252 3.325) 4.654 8.257 ( 2.351 2.252 3.325) 4.654 8.549 ( -4.697 -5.866 -1.001) 7.580 8.549 ( -4.697 5.866 -1.001) 7.580 8.669 ( 2.334 -1.943 -2.446) 3.900 8.669 ( 2.334 1.943 -2.446) 3.900 8.828 ( -1.426 -7.474 0.313) 7.615 8.828 ( -1.426 7.474 0.313) 7.615 9.083 ( -0.781 -2.738 3.134) 4.234 9.083 ( -0.781 2.738 3.134) 4.234 9.234 ( 2.133 -1.063 -1.254) 2.692 9.234 ( 2.133 1.063 -1.254) 2.692 9.335 ( 2.135 -4.264 2.992) 5.630 9.335 ( 2.135 4.264 2.992) 5.630 9.465 ( 0.616 -4.050 -0.998) 4.216 9.465 ( 0.616 4.050 -0.998) 4.216 9.632 ( -0.199 -0.710 -0.503) 0.892 9.632 ( -0.199 0.710 -0.503) 0.892 9.985 ( 1.087 -3.894 2.530) 4.769 9.985 ( 1.087 3.894 2.530) 4.769 10.095 ( 1.982 -0.775 0.210) 2.139 10.095 ( 1.982 0.775 0.210) 2.139 10.363 ( 1.106 -4.689 -1.216) 4.969 10.363 ( 1.106 4.689 -1.216) 4.969 10.530 ( -2.651 -2.581 -3.689) 5.225 10.530 ( -2.651 2.581 -3.689) 5.225 10.707 ( -2.441 -5.245 3.919) 6.988 10.707 ( -2.441 5.245 3.919) 6.988 11.003 ( 1.263 -2.382 -1.282) 2.985 11.003 ( 1.263 2.382 -1.282) 2.985 11.298 ( 0.214 -3.066 1.346) 3.355 11.298 ( 0.214 3.066 1.346) 3.355 11.876 ( -0.328 -1.774 0.410) 1.851 11.876 ( -0.328 1.774 0.410) 1.851 12.177 ( 0.374 -1.345 1.269) 1.887 12.177 ( 0.374 1.345 1.269) 1.887 12.238 ( -2.644 -4.718 -2.157) 5.822 12.238 ( -2.644 4.718 -2.157) 5.822 12.313 ( -1.860 -5.400 1.617) 5.936 12.313 ( -1.860 5.400 1.617) 5.936 12.478 ( -3.123 -2.671 -3.142) 5.173 12.478 ( -3.123 2.671 -3.142) 5.173 12.648 ( 3.048 -3.748 -0.464) 4.853 12.648 ( 3.048 3.748 -0.464) 4.853 12.750 ( -4.006 -5.566 3.574) 7.733 12.750 ( -4.006 5.566 3.574) 7.733 12.970 ( 1.569 -5.356 -2.995) 6.334 12.970 ( 1.569 5.356 -2.995) 6.334 13.161 ( -1.559 -2.681 2.601) 4.048 13.161 ( -1.559 2.681 2.601) 4.048 13.389 ( 0.496 -5.270 3.547) 6.372 13.389 ( 0.496 5.270 3.547) 6.372 13.641 ( 7.954 -1.587 -2.365) 8.449 13.641 ( 7.954 1.587 -2.365) 8.449 13.741 ( 0.382 -4.882 -5.189) 7.135 13.741 ( 0.382 4.882 -5.189) 7.135 14.061 ( -7.852 -2.773 -3.970) 9.225 14.061 ( -7.852 2.773 -3.970) 9.225 14.151 ( -4.084 -6.002 6.076) 9.467 14.151 ( -4.084 6.002 6.076) 9.467 14.575 ( -3.033 -6.911 0.643) 7.574 14.575 ( -3.033 6.911 0.643) 7.574 14.851 ( 4.266 -4.110 -0.649) 5.959 14.851 ( 4.266 4.110 -0.649) 5.959 15.188 ( 2.812 -8.703 -3.493) 9.790 15.188 ( 2.812 8.703 -3.493) 9.790 15.355 ( 0.554 -4.188 -2.130) 4.731 15.355 ( 0.554 4.188 -2.130) 4.731 15.544 ( -2.070 -0.695 0.157) 2.189 15.544 ( -2.070 0.695 0.157) 2.189 15.884 ( 1.531 -5.786 2.828) 6.619 15.884 ( 1.531 5.786 2.828) 6.619 15.957 ( -3.698 -7.532 4.953) 9.744 15.957 ( -3.698 7.532 4.953) 9.744 16.306 ( 2.070 -3.045 0.986) 3.812 16.306 ( 2.070 3.046 0.986) 3.812 16.689 ( 1.241 -8.290 -2.204) 8.668 16.689 ( 1.241 8.290 -2.204) 8.668 16.870 ( 5.115 -2.908 -0.168) 5.887 16.870 ( 5.115 2.908 -0.168) 5.887 19.227 ( -0.436 -5.202 1.084) 5.332 19.227 ( -0.436 5.202 1.084) 5.332 19.432 ( -0.641 -3.894 -0.841) 4.035 19.432 ( -0.641 3.894 -0.841) 4.035 21.038 ( 1.122 -0.653 0.449) 1.374 21.038 ( 1.122 0.653 0.449) 1.374 21.185 ( -0.543 -1.551 1.124) 1.991 21.185 ( -0.543 1.551 1.124) 1.991 25.005 ( -0.208 -0.663 -0.177) 0.717 25.005 ( -0.208 0.663 -0.177) 0.717 25.409 ( 1.066 -3.426 0.389) 3.609 25.409 ( 1.066 3.426 0.389) 3.609 25.910 ( -0.188 -1.801 0.652) 1.925 25.910 ( -0.188 1.801 0.652) 1.925 26.125 ( -1.119 -0.445 -0.119) 1.210 26.125 ( -1.119 0.445 -0.119) 1.210 26.660 ( 2.781 -4.281 -6.454) 8.229 26.660 ( 2.781 4.281 -6.454) 8.229 27.019 ( -0.562 -2.133 -0.479) 2.257 27.019 ( -0.562 2.133 -0.479) 2.257 27.219 ( 1.153 -1.317 2.982) 3.458 27.219 ( 1.153 1.317 2.982) 3.458 27.350 ( 0.372 -0.219 2.789) 2.823 27.350 ( 0.372 0.219 2.789) 2.823 27.602 ( 2.582 -2.493 0.234) 3.597 27.602 ( 2.582 2.493 0.234) 3.597 27.955 ( 2.418 -1.951 3.324) 4.550 27.955 ( 2.418 1.951 3.324) 4.550 28.066 ( -6.100 -6.644 -3.813) 9.792 28.066 ( -6.100 6.644 -3.813) 9.792 28.237 ( -2.375 -6.434 1.679) 7.061 28.237 ( -2.375 6.434 1.679) 7.061 28.298 ( 3.061 -2.949 1.439) 4.488 28.298 ( 3.061 2.949 1.439) 4.488 28.490 ( -2.369 -2.633 0.421) 3.566 28.490 ( -2.369 2.633 0.421) 3.566 28.892 ( -5.124 -6.363 -0.850) 8.213 28.892 ( -5.124 6.363 -0.850) 8.213 29.341 ( -1.248 -12.666 -2.441) 12.959 29.341 ( -1.248 12.666 -2.441) 12.959 29.895 ( -0.634 -4.435 -2.279) 5.026 29.895 ( -0.634 4.435 -2.279) 5.026 30.034 ( -3.323 -2.697 5.357) 6.857 30.034 ( -3.323 2.697 5.357) 6.857 30.596 ( 1.776 -13.234 1.316) 13.418 30.596 ( 1.776 13.234 1.316) 13.418 31.353 ( 7.300 -3.471 -5.468) 9.759 31.353 ( 7.300 3.471 -5.468) 9.759 ======================= Grid point 69 (36/63) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 6.921 -6.429 12.142) 15.384 2.120 ( 6.921 6.429 12.142) 15.384 2.354 ( 0.342 -10.125 10.776) 14.790 2.354 ( 0.342 10.125 10.776) 14.790 2.455 ( 3.527 -5.189 10.283) 12.046 2.455 ( 3.527 5.189 10.283) 12.046 2.726 ( 9.597 -10.348 -5.276) 15.067 2.726 ( 9.597 10.348 -5.276) 15.067 3.140 ( 2.646 -11.034 -1.119) 11.402 3.140 ( 2.646 11.034 -1.119) 11.402 3.292 ( 0.198 -4.326 4.547) 6.279 3.292 ( 0.198 4.326 4.547) 6.279 3.336 ( -3.369 -6.122 4.357) 8.235 3.336 ( -3.369 6.122 4.357) 8.235 3.610 ( 6.524 -7.489 -6.009) 11.608 3.610 ( 6.524 7.489 -6.009) 11.608 3.814 ( -2.063 -5.901 -0.566) 6.276 3.814 ( -2.063 5.901 -0.566) 6.276 3.950 ( -4.534 -8.234 -2.592) 9.750 3.950 ( -4.534 8.234 -2.592) 9.750 4.125 ( -0.732 -6.119 4.968) 7.916 4.125 ( -0.732 6.119 4.968) 7.916 4.222 ( 3.170 -12.366 0.464) 12.774 4.222 ( 3.170 12.366 0.464) 12.774 4.338 ( 3.624 -3.420 -5.881) 7.708 4.338 ( 3.624 3.420 -5.881) 7.708 4.517 ( -1.156 -2.639 -2.273) 3.670 4.517 ( -1.156 2.639 -2.273) 3.670 4.667 ( -5.010 -6.095 -2.654) 8.324 4.667 ( -5.010 6.095 -2.654) 8.324 4.792 ( -8.993 -11.597 2.297) 14.854 4.792 ( -8.993 11.597 2.297) 14.854 4.913 ( -4.872 -3.010 -2.155) 6.119 4.913 ( -4.872 3.010 -2.155) 6.119 4.990 ( -1.491 -1.437 4.804) 5.231 4.990 ( -1.491 1.437 4.804) 5.231 5.107 ( 2.573 -6.551 -2.598) 7.502 5.107 ( 2.573 6.551 -2.598) 7.502 5.153 ( 1.762 -5.047 -2.588) 5.939 5.153 ( 1.762 5.047 -2.588) 5.939 5.330 ( -1.048 -2.264 0.503) 2.545 5.330 ( -1.048 2.264 0.503) 2.545 5.538 ( 0.770 -5.525 0.664) 5.618 5.538 ( 0.770 5.525 0.664) 5.618 5.615 ( 7.194 -4.285 -6.252) 10.450 5.615 ( 7.194 4.285 -6.252) 10.450 5.726 ( -3.326 -7.740 -1.846) 8.624 5.726 ( -3.326 7.740 -1.846) 8.624 5.850 ( 2.739 -2.166 -1.072) 3.653 5.850 ( 2.739 2.166 -1.072) 3.653 5.991 ( -1.984 -1.182 1.383) 2.692 5.991 ( -1.984 1.182 1.383) 2.692 6.191 ( 4.759 -1.389 -3.187) 5.894 6.191 ( 4.759 1.389 -3.187) 5.894 6.308 ( -3.053 -3.005 -5.511) 6.980 6.308 ( -3.053 3.005 -5.511) 6.980 6.456 ( 0.022 -5.702 -2.604) 6.268 6.456 ( 0.022 5.702 -2.604) 6.268 6.518 ( -2.084 -5.607 4.548) 7.514 6.518 ( -2.084 5.607 4.548) 7.514 6.667 ( -3.094 -3.481 -1.731) 4.968 6.667 ( -3.094 3.481 -1.731) 4.968 6.874 ( -2.869 -4.091 1.125) 5.122 6.874 ( -2.869 4.091 1.125) 5.122 7.058 ( -2.272 -9.798 3.092) 10.522 7.058 ( -2.272 9.798 3.092) 10.522 7.291 ( 1.372 -3.191 -1.197) 3.674 7.291 ( 1.372 3.191 -1.197) 3.674 7.583 ( 0.803 -7.836 2.276) 8.199 7.583 ( 0.803 7.836 2.276) 8.199 7.594 ( -0.171 -2.309 2.584) 3.470 7.594 ( -0.171 2.309 2.584) 3.470 7.869 ( -1.351 -5.560 -5.527) 7.955 7.869 ( -1.351 5.560 -5.527) 7.955 8.050 ( 2.770 -4.267 -5.384) 7.407 8.050 ( 2.770 4.267 -5.384) 7.407 8.297 ( -2.010 -1.097 2.214) 3.185 8.297 ( -2.010 1.097 2.214) 3.185 8.548 ( 4.378 -6.663 1.744) 8.161 8.548 ( 4.378 6.663 1.744) 8.161 8.686 ( 0.916 -3.113 -0.360) 3.265 8.686 ( 0.916 3.113 -0.360) 3.265 8.824 ( 0.899 -8.415 0.385) 8.472 8.824 ( 0.899 8.415 0.385) 8.472 9.061 ( -3.451 -2.934 0.520) 4.560 9.061 ( -3.451 2.934 0.520) 4.560 9.244 ( 1.354 -0.933 -1.371) 2.141 9.244 ( 1.354 0.933 -1.371) 2.141 9.403 ( -0.988 -4.621 3.561) 5.917 9.403 ( -0.988 4.621 3.561) 5.917 9.503 ( 1.518 -5.456 2.897) 6.361 9.503 ( 1.518 5.456 2.897) 6.361 9.654 ( 1.807 -2.832 3.419) 4.793 9.654 ( 1.807 2.832 3.419) 4.793 9.994 ( -2.344 -1.146 0.919) 2.767 9.994 ( -2.344 1.146 0.919) 2.767 10.136 ( 0.467 -1.313 3.003) 3.311 10.136 ( 0.467 1.313 3.003) 3.311 10.374 ( 2.125 -3.671 -1.845) 4.625 10.374 ( 2.125 3.671 -1.845) 4.625 10.506 ( 1.831 -3.254 -0.617) 3.785 10.506 ( 1.831 3.254 -0.617) 3.785 10.712 ( -0.869 -1.925 3.815) 4.361 10.712 ( -0.869 1.925 3.815) 4.361 11.035 ( 1.984 -1.546 1.316) 2.839 11.035 ( 1.984 1.546 1.316) 2.839 11.265 ( -3.091 -2.481 -2.876) 4.897 11.265 ( -3.091 2.481 -2.876) 4.897 11.879 ( 0.615 -1.681 0.947) 2.025 11.879 ( 0.615 1.681 0.947) 2.025 12.125 ( -3.142 -3.620 -3.242) 5.787 12.125 ( -3.142 3.620 -3.242) 5.787 12.183 ( -0.716 -3.415 -3.230) 4.755 12.183 ( -0.716 3.415 -3.230) 4.755 12.338 ( 0.417 -6.168 3.093) 6.913 12.338 ( 0.417 6.168 3.093) 6.913 12.426 ( -0.006 -0.999 -2.252) 2.464 12.426 ( -0.006 0.999 -2.252) 2.464 12.670 ( 1.107 -3.642 -4.019) 5.535 12.670 ( 1.107 3.642 -4.019) 5.535 12.742 ( -1.339 -5.006 5.340) 7.441 12.742 ( -1.339 5.006 5.340) 7.441 12.970 ( 1.486 -5.551 -1.765) 6.012 12.970 ( 1.486 5.551 -1.765) 6.012 13.174 ( -0.111 -1.267 2.977) 3.237 13.174 ( -0.111 1.267 2.977) 3.237 13.396 ( -3.149 -4.796 1.624) 5.963 13.396 ( -3.149 4.796 1.624) 5.963 13.675 ( 2.386 -1.097 -5.029) 5.673 13.675 ( 2.386 1.097 -5.029) 5.673 13.786 ( 4.140 -3.627 -1.923) 5.830 13.786 ( 4.140 3.627 -1.923) 5.830 13.913 ( -4.329 -2.394 -0.846) 5.018 13.913 ( -4.329 2.394 -0.846) 5.018 14.160 ( 0.264 -6.251 3.977) 7.413 14.160 ( 0.264 6.251 3.977) 7.413 14.540 ( -1.085 -5.616 -0.732) 5.767 14.540 ( -1.085 5.616 -0.732) 5.767 14.870 ( 0.256 -6.733 -2.021) 7.035 14.870 ( 0.256 6.733 -2.021) 7.035 15.207 ( 3.322 -7.415 -3.907) 9.016 15.207 ( 3.322 7.415 -3.907) 9.016 15.357 ( 0.321 -1.739 0.867) 1.969 15.357 ( 0.321 1.739 0.867) 1.969 15.526 ( 0.460 -0.758 -0.983) 1.323 15.526 ( 0.460 0.758 -0.983) 1.323 15.914 ( -1.628 -5.959 4.144) 7.438 15.914 ( -1.628 5.959 4.144) 7.438 15.956 ( -2.013 -8.990 4.119) 10.091 15.956 ( -2.013 8.990 4.119) 10.091 16.356 ( 1.301 -4.180 2.317) 4.953 16.356 ( 1.302 4.180 2.317) 4.953 16.657 ( -1.234 -11.600 -2.910) 12.022 16.657 ( -1.234 11.600 -2.910) 12.022 16.925 ( 1.083 -3.554 -0.596) 3.763 16.925 ( 1.083 3.554 -0.596) 3.763 19.224 ( -0.745 -4.860 0.578) 4.951 19.224 ( -0.745 4.860 0.578) 4.951 19.423 ( 0.554 -4.836 -0.571) 4.901 19.423 ( 0.554 4.836 -0.571) 4.901 21.076 ( 1.029 -2.669 2.603) 3.868 21.076 ( 1.029 2.669 2.603) 3.868 21.181 ( -0.806 -1.858 0.703) 2.144 21.181 ( -0.806 1.858 0.703) 2.144 24.993 ( -0.502 -0.547 -1.023) 1.264 24.993 ( -0.502 0.547 -1.023) 1.264 25.405 ( -1.015 -2.720 -1.048) 3.087 25.405 ( -1.015 2.720 -1.048) 3.087 25.923 ( 0.376 -1.575 1.925) 2.515 25.923 ( 0.376 1.575 1.925) 2.515 26.102 ( -0.669 -0.343 -1.473) 1.654 26.102 ( -0.669 0.343 -1.473) 1.654 26.641 ( 2.341 -3.158 -6.058) 7.222 26.641 ( 2.341 3.158 -6.058) 7.222 26.988 ( -0.881 -1.453 -2.635) 3.135 26.988 ( -0.881 1.453 -2.635) 3.135 27.245 ( -1.049 -0.443 2.107) 2.395 27.245 ( -1.049 0.443 2.107) 2.395 27.375 ( -0.536 -0.371 3.131) 3.198 27.375 ( -0.536 0.371 3.131) 3.198 27.653 ( -0.854 -3.778 2.987) 4.892 27.653 ( -0.854 3.778 2.987) 4.892 27.851 ( -2.851 -2.546 -6.279) 7.351 27.851 ( -2.851 2.546 -6.279) 7.351 28.095 ( 1.414 -4.443 2.210) 5.160 28.095 ( 1.414 4.443 2.210) 5.160 28.244 ( 1.779 -2.952 3.020) 4.583 28.244 ( 1.779 2.952 3.020) 4.583 28.371 ( -0.393 -2.826 4.018) 4.929 28.371 ( -0.393 2.826 4.018) 4.929 28.481 ( 0.976 -2.843 2.645) 4.004 28.481 ( 0.976 2.843 2.645) 4.004 28.817 ( -0.752 -7.538 -3.748) 8.452 28.817 ( -0.752 7.538 -3.748) 8.452 29.340 ( 2.543 -14.936 -0.119) 15.151 29.340 ( 2.543 14.936 -0.119) 15.151 29.865 ( -0.296 -6.411 -1.708) 6.641 29.865 ( -0.296 6.411 -1.708) 6.641 30.046 ( -1.074 -3.962 4.858) 6.360 30.046 ( -1.074 3.962 4.858) 6.360 30.611 ( -1.617 -12.083 1.008) 12.232 30.611 ( -1.617 12.083 1.008) 12.232 31.373 ( 2.466 -3.474 -6.936) 8.140 31.373 ( 2.466 3.474 -6.936) 8.140 ======================= Grid point 71 (37/63) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -9.836 -13.734 3.000) 17.157 2.131 ( -9.836 13.734 3.000) 17.157 2.448 ( -7.725 -5.892 4.811) 10.842 2.448 ( -7.725 5.892 4.811) 10.842 2.673 ( 4.118 -6.700 -1.888) 8.087 2.673 ( 4.118 6.700 -1.888) 8.087 2.872 ( 6.205 -12.428 0.328) 13.894 2.872 ( 6.205 12.428 0.328) 13.894 3.087 ( 1.062 -5.527 1.351) 5.788 3.087 ( 1.062 5.527 1.351) 5.788 3.294 ( -3.777 -0.625 5.827) 6.972 3.294 ( -3.777 0.625 5.827) 6.972 3.397 ( 1.869 -1.502 6.457) 6.888 3.397 ( 1.869 1.502 6.457) 6.888 3.629 ( -3.581 -5.448 -2.515) 6.988 3.629 ( -3.581 5.448 -2.515) 6.988 3.787 ( 5.982 -1.072 -6.589) 8.963 3.787 ( 5.982 1.072 -6.589) 8.963 3.872 ( -0.046 -8.139 -1.283) 8.239 3.872 ( -0.046 8.139 -1.283) 8.239 4.132 ( -4.834 -8.266 2.536) 9.905 4.132 ( -4.834 8.266 2.536) 9.905 4.259 ( -1.422 -4.212 -1.103) 4.581 4.259 ( -1.422 4.212 -1.103) 4.581 4.363 ( -0.908 -5.905 0.004) 5.974 4.363 ( -0.908 5.905 0.004) 5.974 4.425 ( -2.176 -5.697 -3.808) 7.189 4.425 ( -2.176 5.697 -3.808) 7.189 4.539 ( -8.232 -12.933 4.828) 16.073 4.539 ( -8.232 12.933 4.828) 16.073 4.673 ( -0.137 -6.107 -1.619) 6.319 4.673 ( -0.137 6.107 -1.619) 6.319 4.864 ( -3.127 -6.141 -0.163) 6.893 4.864 ( -3.127 6.141 -0.163) 6.893 4.953 ( 4.180 -4.044 -6.955) 9.066 4.953 ( 4.180 4.044 -6.955) 9.066 5.112 ( 0.853 -3.462 -1.081) 3.726 5.112 ( 0.853 3.462 -1.081) 3.726 5.195 ( 0.559 -4.605 4.547) 6.496 5.195 ( 0.559 4.605 4.547) 6.496 5.369 ( 4.481 -0.643 0.275) 4.535 5.369 ( 4.481 0.643 0.275) 4.535 5.589 ( 4.820 -5.616 -0.969) 7.464 5.589 ( 4.820 5.616 -0.969) 7.464 5.655 ( 3.311 -6.273 -4.848) 8.592 5.655 ( 3.311 6.273 -4.848) 8.592 5.738 ( 3.855 -0.966 1.929) 4.418 5.738 ( 3.855 0.966 1.929) 4.418 5.866 ( 0.510 -1.897 1.680) 2.585 5.866 ( 0.510 1.897 1.680) 2.585 6.029 ( 2.306 -2.494 -3.511) 4.886 6.029 ( 2.306 2.494 -3.511) 4.886 6.080 ( -3.249 -2.630 -5.434) 6.856 6.080 ( -3.249 2.630 -5.434) 6.856 6.279 ( 1.945 -2.618 0.336) 3.279 6.279 ( 1.945 2.618 0.336) 3.279 6.421 ( -0.740 -6.203 -2.218) 6.629 6.421 ( -0.740 6.203 -2.218) 6.629 6.534 ( -2.347 -4.575 6.110) 7.986 6.534 ( -2.347 4.575 6.110) 7.986 6.675 ( 3.100 -1.917 1.010) 3.782 6.675 ( 3.100 1.917 1.010) 3.782 6.839 ( -0.995 -0.978 0.087) 1.398 6.839 ( -0.995 0.978 0.087) 1.398 7.039 ( -2.593 -9.109 2.979) 9.928 7.039 ( -2.593 9.109 2.979) 9.928 7.319 ( 1.522 -3.198 -1.378) 3.800 7.319 ( 1.522 3.198 -1.378) 3.800 7.550 ( -1.348 -3.596 -1.842) 4.259 7.550 ( -1.348 3.596 -1.842) 4.259 7.703 ( 6.454 -3.746 0.045) 7.463 7.703 ( 6.454 3.746 0.045) 7.463 7.832 ( 1.120 -4.488 1.383) 4.828 7.832 ( 1.120 4.488 1.383) 4.828 8.045 ( 2.556 -3.934 -5.631) 7.330 8.045 ( 2.556 3.934 -5.631) 7.330 8.314 ( 2.635 -2.569 2.066) 4.220 8.314 ( 2.635 2.569 2.066) 4.220 8.610 ( 1.688 -2.864 -2.245) 4.011 8.610 ( 1.688 2.864 -2.245) 4.011 8.692 ( -0.912 -5.136 1.003) 5.312 8.692 ( -0.912 5.136 1.003) 5.312 8.879 ( 2.451 -1.218 2.827) 3.935 8.879 ( 2.451 1.218 2.827) 3.935 9.012 ( -1.166 -2.249 0.329) 2.554 9.012 ( -1.166 2.249 0.329) 2.554 9.253 ( 0.316 -2.009 -0.333) 2.061 9.253 ( 0.316 2.009 -0.333) 2.061 9.368 ( -4.543 -6.965 0.613) 8.338 9.368 ( -4.543 6.965 0.613) 8.338 9.515 ( -1.762 -3.670 1.046) 4.203 9.515 ( -1.762 3.670 1.046) 4.203 9.725 ( -0.785 -1.360 2.466) 2.924 9.725 ( -0.785 1.360 2.466) 2.924 9.952 ( -2.285 -2.906 1.267) 3.908 9.952 ( -2.285 2.906 1.267) 3.908 10.148 ( -2.177 -3.324 1.908) 4.407 10.148 ( -2.177 3.324 1.908) 4.407 10.403 ( 2.408 -2.624 -1.006) 3.701 10.403 ( 2.408 2.624 -1.006) 3.701 10.530 ( 1.501 -1.888 -1.272) 2.726 10.530 ( 1.501 1.888 -1.272) 2.726 10.760 ( 0.362 -4.834 4.245) 6.444 10.760 ( 0.362 4.834 4.245) 6.444 11.070 ( 0.074 -1.832 -1.116) 2.146 11.070 ( 0.074 1.832 -1.116) 2.146 11.180 ( -1.054 -2.402 -0.703) 2.716 11.180 ( -1.054 2.402 -0.703) 2.716 11.926 ( 1.096 -2.428 2.361) 3.560 11.926 ( 1.096 2.428 2.361) 3.560 12.029 ( -1.714 -0.426 -2.941) 3.431 12.029 ( -1.714 0.426 -2.941) 3.431 12.184 ( 4.068 -3.155 -3.695) 6.337 12.184 ( 4.068 3.155 -3.695) 6.337 12.328 ( -3.714 -3.364 0.708) 5.061 12.328 ( -3.714 3.364 0.708) 5.061 12.447 ( 3.244 -6.420 0.947) 7.255 12.447 ( 3.244 6.420 0.947) 7.255 12.626 ( -1.024 -1.031 -3.212) 3.525 12.626 ( -1.024 1.031 -3.212) 3.525 12.794 ( 2.521 -7.513 1.855) 8.139 12.794 ( 2.521 7.513 1.855) 8.139 13.006 ( 2.930 -5.833 1.756) 6.759 13.006 ( 2.930 5.833 1.756) 6.759 13.207 ( 0.569 -3.023 2.560) 4.002 13.207 ( 0.569 3.023 2.560) 4.002 13.319 ( -6.581 -5.210 0.806) 8.432 13.319 ( -6.581 5.210 0.806) 8.432 13.671 ( -3.720 -3.208 -0.759) 4.971 13.671 ( -3.720 3.208 -0.759) 4.971 13.687 ( -1.229 -3.336 -8.675) 9.375 13.687 ( -1.229 3.336 -8.675) 9.375 13.940 ( 2.916 -4.566 -0.033) 5.418 13.940 ( 2.916 4.566 -0.033) 5.418 14.280 ( 7.879 -5.254 5.143) 10.777 14.280 ( 7.879 5.254 5.143) 10.777 14.525 ( 1.120 -3.605 -1.906) 4.229 14.525 ( 1.120 3.605 -1.906) 4.229 14.848 ( -0.535 -6.812 -1.027) 6.910 14.848 ( -0.535 6.812 -1.027) 6.910 15.218 ( 2.265 -4.827 -3.066) 6.150 15.218 ( 2.265 4.827 -3.066) 6.150 15.379 ( 0.983 -1.700 0.811) 2.125 15.379 ( 0.983 1.700 0.811) 2.125 15.538 ( 2.037 -1.019 -0.794) 2.412 15.538 ( 2.037 1.019 -0.794) 2.412 15.924 ( -3.117 -2.487 5.410) 6.721 15.924 ( -3.117 2.487 5.410) 6.721 15.962 ( -0.934 -5.201 2.788) 5.975 15.962 ( -0.934 5.201 2.788) 5.975 16.357 ( -1.883 -5.082 -2.664) 6.040 16.357 ( -1.883 5.082 -2.664) 6.040 16.633 ( -0.918 -13.410 3.260) 13.831 16.633 ( -0.918 13.410 3.260) 13.831 16.893 ( -2.806 -2.877 -1.872) 4.433 16.893 ( -2.806 2.877 -1.872) 4.433 19.218 ( -0.684 -4.911 0.837) 5.028 19.218 ( -0.684 4.911 0.837) 5.028 19.443 ( 2.321 -6.047 -0.565) 6.502 19.443 ( 2.321 6.047 -0.565) 6.502 21.098 ( -1.686 -4.445 1.844) 5.098 21.098 ( -1.686 4.445 1.844) 5.098 21.184 ( 0.240 -0.777 1.139) 1.400 21.184 ( 0.240 0.777 1.139) 1.400 24.970 ( -0.858 -0.434 -1.057) 1.429 24.970 ( -0.858 0.434 -1.057) 1.429 25.363 ( -2.405 -1.220 -0.959) 2.862 25.363 ( -2.405 1.220 -0.959) 2.862 25.964 ( 1.046 -1.528 3.591) 4.040 25.964 ( 1.046 1.528 3.591) 4.040 26.071 ( -0.283 -0.166 -3.077) 3.094 26.071 ( -0.283 0.166 -3.077) 3.094 26.611 ( 0.714 -2.136 -5.787) 6.210 26.611 ( 0.714 2.136 -5.787) 6.210 26.956 ( 0.272 -2.221 -1.733) 2.830 26.956 ( 0.272 2.221 -1.733) 2.830 27.224 ( -3.417 -1.865 1.738) 4.264 27.224 ( -3.417 1.865 1.738) 4.264 27.399 ( -1.355 -0.954 4.633) 4.921 27.399 ( -1.355 0.954 4.633) 4.921 27.617 ( -2.709 -3.729 -1.622) 4.886 27.617 ( -2.709 3.729 -1.622) 4.886 27.804 ( 0.103 -4.043 -0.121) 4.046 27.804 ( 0.103 4.043 -0.121) 4.046 28.124 ( 0.699 -5.676 2.000) 6.058 28.124 ( 0.699 5.676 2.000) 6.058 28.269 ( -0.862 -2.231 -1.608) 2.882 28.269 ( -0.862 2.231 -1.608) 2.882 28.404 ( -0.599 -3.422 3.800) 5.149 28.404 ( -0.599 3.422 3.800) 5.149 28.568 ( 4.014 -5.947 4.244) 8.336 28.568 ( 4.014 5.947 4.244) 8.336 28.801 ( 4.373 -6.235 -4.298) 8.744 28.801 ( 4.373 6.235 -4.298) 8.744 29.411 ( 5.664 -13.651 -0.530) 14.789 29.411 ( 5.664 13.651 -0.530) 14.789 29.846 ( -0.323 -5.525 -1.814) 5.824 29.846 ( -0.323 5.525 -1.814) 5.824 30.096 ( 0.565 -7.270 5.462) 9.110 30.096 ( 0.565 7.270 5.462) 9.110 30.567 ( -3.970 -8.816 0.715) 9.695 30.567 ( -3.970 8.816 0.715) 9.695 31.307 ( -1.669 -6.457 -6.995) 9.665 31.307 ( -1.669 6.457 -6.995) 9.665 ======================= Grid point 73 (38/63) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -17.564 -8.070 -7.474) 20.724 1.927 ( -17.564 8.070 -7.474) 20.724 2.057 ( -19.501 -5.401 -13.236) 24.180 2.057 ( -19.501 5.401 -13.236) 24.180 2.587 ( -5.221 -7.312 -4.007) 9.838 2.587 ( -5.221 7.312 -4.007) 9.838 2.870 ( -1.165 -10.025 -1.519) 10.206 2.870 ( -1.165 10.025 -1.519) 10.206 3.135 ( -8.120 -6.540 5.798) 11.930 3.135 ( -8.120 6.540 5.798) 11.930 3.285 ( 0.570 -2.113 -6.767) 7.112 3.285 ( 0.570 2.113 -6.767) 7.112 3.483 ( -1.980 -2.683 1.756) 3.768 3.483 ( -1.980 2.683 1.756) 3.768 3.610 ( 4.925 -3.131 9.647) 11.275 3.610 ( 4.925 3.131 9.647) 11.275 3.773 ( -3.309 -9.891 -3.654) 11.051 3.773 ( -3.309 9.891 -3.654) 11.051 3.891 ( 2.399 -2.447 -2.161) 4.052 3.891 ( 2.399 2.447 -2.161) 4.052 4.008 ( -4.837 -8.107 -3.272) 9.991 4.008 ( -4.837 8.107 -3.272) 9.991 4.189 ( -6.078 -9.279 -2.991) 11.489 4.189 ( -6.078 9.279 -2.991) 11.489 4.254 ( 0.614 -3.247 -3.573) 4.867 4.254 ( 0.614 3.247 -3.573) 4.867 4.382 ( -5.140 -4.644 10.104) 12.251 4.382 ( -5.140 4.644 10.104) 12.251 4.682 ( 3.369 -7.182 2.119) 8.212 4.682 ( 3.369 7.182 2.119) 8.212 4.729 ( 7.778 -5.086 7.780) 12.120 4.729 ( 7.778 5.086 7.780) 12.120 4.820 ( 3.966 -1.511 -5.144) 6.669 4.820 ( 3.966 1.511 -5.144) 6.669 4.976 ( 0.324 -5.435 0.936) 5.524 4.976 ( 0.324 5.435 0.936) 5.524 5.143 ( 2.925 -2.147 -2.032) 4.158 5.143 ( 2.925 2.147 -2.032) 4.158 5.278 ( 3.415 -6.327 4.237) 8.345 5.278 ( 3.415 6.327 4.237) 8.345 5.438 ( 4.046 -3.698 -1.453) 5.671 5.438 ( 4.046 3.698 -1.453) 5.671 5.604 ( -1.639 -5.981 -1.384) 6.354 5.604 ( -1.639 5.981 -1.384) 6.354 5.684 ( 3.188 -2.835 -4.349) 6.092 5.684 ( 3.188 2.835 -4.349) 6.092 5.774 ( 2.525 -5.359 -2.299) 6.355 5.774 ( 2.525 5.359 -2.299) 6.355 5.950 ( 2.189 -5.653 -2.186) 6.444 5.950 ( 2.189 5.653 -2.186) 6.444 5.979 ( 7.278 -0.723 1.857) 7.546 5.979 ( 7.278 0.723 1.857) 7.546 6.129 ( 3.137 -1.926 -0.750) 3.757 6.129 ( 3.137 1.926 -0.750) 3.757 6.303 ( -1.482 -2.608 0.703) 3.081 6.303 ( -1.482 2.608 0.703) 3.081 6.410 ( 1.405 -4.458 1.656) 4.959 6.410 ( 1.405 4.458 1.656) 4.959 6.580 ( -1.190 -3.393 7.483) 8.302 6.580 ( -1.190 3.393 7.483) 8.302 6.717 ( -1.292 -1.302 5.593) 5.886 6.717 ( -1.292 1.302 5.593) 5.886 6.897 ( 5.048 -2.925 2.721) 6.438 6.897 ( 5.048 2.925 2.721) 6.438 7.045 ( 1.263 -8.938 0.776) 9.060 7.045 ( 1.263 8.938 0.776) 9.060 7.291 ( -1.126 -4.799 -3.513) 6.054 7.291 ( -1.126 4.799 -3.513) 6.054 7.505 ( -1.012 -4.369 -2.847) 5.312 7.505 ( -1.012 4.369 -2.847) 5.312 7.755 ( 3.861 -0.967 -5.179) 6.531 7.755 ( 3.861 0.967 -5.179) 6.531 7.956 ( 3.841 -3.141 5.372) 7.313 7.956 ( 3.841 3.141 5.372) 7.313 8.030 ( 2.990 -1.338 -2.032) 3.855 8.030 ( 2.990 1.338 -2.032) 3.855 8.415 ( 7.060 -1.059 -0.718) 7.175 8.415 ( 7.060 1.059 -0.718) 7.175 8.599 ( 1.534 -3.354 -2.550) 4.484 8.599 ( 1.534 3.354 -2.550) 4.484 8.674 ( -1.755 -3.685 1.367) 4.304 8.674 ( -1.755 3.685 1.367) 4.304 8.887 ( -3.755 -5.999 1.819) 7.307 8.887 ( -3.755 5.999 1.819) 7.307 9.041 ( 0.003 -3.225 1.728) 3.659 9.041 ( 0.003 3.225 1.728) 3.659 9.241 ( -0.965 -3.587 0.357) 3.731 9.241 ( -0.965 3.587 0.357) 3.731 9.299 ( -1.582 -5.690 -2.374) 6.365 9.299 ( -1.582 5.690 -2.374) 6.365 9.489 ( -2.168 -4.176 0.916) 4.794 9.489 ( -2.168 4.176 0.916) 4.794 9.647 ( -4.501 -2.822 -4.446) 6.927 9.647 ( -4.501 2.822 -4.446) 6.927 9.941 ( -2.152 -2.258 1.913) 3.659 9.941 ( -2.152 2.258 1.913) 3.659 10.121 ( -1.078 -4.414 -0.623) 4.586 10.121 ( -1.078 4.414 -0.623) 4.586 10.403 ( -2.332 -1.013 -0.022) 2.542 10.403 ( -2.332 1.013 -0.022) 2.542 10.545 ( 2.489 -3.625 -1.959) 4.814 10.545 ( 2.489 3.625 -1.959) 4.814 10.762 ( -2.786 -5.823 1.167) 6.560 10.762 ( -2.786 5.823 1.167) 6.560 11.014 ( -1.173 -3.740 -3.703) 5.392 11.014 ( -1.173 3.740 -3.703) 5.392 11.259 ( 3.671 -2.956 5.881) 7.536 11.259 ( 3.671 2.956 5.881) 7.536 11.889 ( -2.159 -4.506 -1.835) 5.323 11.889 ( -2.159 4.506 -1.835) 5.323 12.080 ( 2.536 -2.257 4.084) 5.311 12.080 ( 2.536 2.257 4.084) 5.311 12.211 ( 2.644 -2.007 -3.769) 5.023 12.211 ( 2.644 2.007 -3.769) 5.023 12.281 ( -0.896 -3.751 0.642) 3.910 12.281 ( -0.896 3.751 0.642) 3.910 12.517 ( 2.013 -3.894 1.673) 4.692 12.517 ( 2.013 3.894 1.673) 4.692 12.600 ( 1.774 -4.120 -2.121) 4.962 12.600 ( 1.774 4.120 -2.121) 4.962 12.857 ( 3.286 -9.340 0.881) 9.940 12.857 ( 3.286 9.340 0.881) 9.940 13.088 ( 4.024 -4.821 0.653) 6.314 13.088 ( 4.024 4.821 0.653) 6.314 13.191 ( -5.598 -2.602 1.238) 6.296 13.191 ( -5.598 2.602 1.238) 6.296 13.266 ( -0.905 -5.095 4.014) 6.549 13.266 ( -0.905 5.095 4.014) 6.549 13.483 ( -9.143 -2.516 -1.803) 9.653 13.483 ( -9.143 2.516 -1.803) 9.653 13.693 ( 5.497 -3.241 -7.157) 9.589 13.693 ( 5.497 3.241 -7.157) 9.589 13.981 ( 2.708 -7.902 -0.883) 8.399 13.981 ( 2.708 7.902 -0.883) 8.399 14.449 ( 4.748 -3.225 2.783) 6.379 14.449 ( 4.748 3.225 2.783) 6.379 14.558 ( 3.428 -2.400 1.281) 4.376 14.558 ( 3.428 2.400 1.281) 4.376 14.836 ( 0.153 -4.215 -0.882) 4.309 14.836 ( 0.153 4.215 -0.882) 4.309 15.235 ( 3.402 -6.097 -2.681) 7.479 15.235 ( 3.402 6.097 -2.681) 7.479 15.396 ( 1.344 -4.085 -1.511) 4.558 15.396 ( 1.344 4.085 -1.511) 4.558 15.585 ( 3.549 -1.702 0.780) 4.013 15.585 ( 3.549 1.702 0.780) 4.013 15.911 ( -5.126 -8.405 6.680) 11.897 15.911 ( -5.126 8.405 6.680) 11.897 15.981 ( 0.018 -4.526 1.434) 4.748 15.981 ( 0.018 4.526 1.434) 4.748 16.259 ( -3.546 -5.653 -5.292) 8.517 16.259 ( -3.546 5.653 -5.292) 8.517 16.653 ( -1.828 -9.066 1.719) 9.407 16.653 ( -1.828 9.066 1.719) 9.407 16.831 ( -2.364 -2.758 1.046) 3.780 16.831 ( -2.364 2.758 1.046) 3.780 19.223 ( -0.309 -4.749 2.122) 5.211 19.223 ( -0.309 4.749 2.122) 5.211 19.479 ( 2.588 -7.053 -1.486) 7.658 19.479 ( 2.588 7.053 -1.486) 7.658 21.064 ( -2.467 -5.440 -0.397) 5.987 21.064 ( -2.467 5.440 -0.397) 5.987 21.192 ( -1.509 -2.091 1.476) 2.971 21.192 ( -1.509 2.091 1.476) 2.971 24.950 ( -0.861 -0.657 0.478) 1.184 24.950 ( -0.861 0.657 0.478) 1.184 25.314 ( -2.872 -1.106 0.541) 3.125 25.314 ( -2.872 1.106 0.541) 3.125 26.009 ( -0.134 -0.724 0.495) 0.887 26.009 ( -0.134 0.724 0.495) 0.887 26.052 ( 1.732 -0.112 0.264) 1.755 26.052 ( 1.732 0.112 0.264) 1.755 26.544 ( -1.702 -1.630 -5.687) 6.156 26.544 ( -1.702 1.630 -5.687) 6.156 26.970 ( 1.688 -3.702 0.574) 4.109 26.970 ( 1.688 3.702 0.574) 4.109 27.175 ( -4.425 -2.748 2.299) 5.693 27.175 ( -4.425 2.748 2.299) 5.693 27.407 ( -3.197 -2.800 4.473) 6.169 27.407 ( -3.197 2.800 4.473) 6.169 27.557 ( -0.849 -5.353 -3.923) 6.691 27.557 ( -0.849 5.353 -3.923) 6.691 27.842 ( 1.637 -5.970 4.580) 7.701 27.842 ( 1.637 5.970 4.580) 7.701 28.161 ( 1.328 -4.799 1.917) 5.336 28.161 ( 1.328 4.799 1.917) 5.336 28.232 ( -1.266 -4.486 -1.664) 4.949 28.232 ( -1.266 4.486 -1.664) 4.949 28.398 ( -1.175 -4.709 -0.706) 4.904 28.398 ( -1.175 4.709 -0.706) 4.904 28.639 ( 2.735 -4.558 -1.519) 5.529 28.639 ( 2.735 4.558 -1.519) 5.529 28.911 ( 9.536 -5.301 1.354) 10.994 28.911 ( 9.536 5.301 1.354) 10.994 29.498 ( 6.113 -9.831 -4.007) 12.250 29.498 ( 6.113 9.831 -4.007) 12.250 29.804 ( -2.765 -6.332 -1.359) 7.042 29.804 ( -2.765 6.332 -1.359) 7.042 30.143 ( -2.736 -7.370 5.614) 9.660 30.143 ( -2.736 7.370 5.614) 9.660 30.523 ( -0.558 -5.796 0.159) 5.825 30.523 ( -0.558 5.796 0.159) 5.825 31.188 ( -4.610 -8.917 -5.439) 11.417 31.188 ( -4.610 8.917 -5.439) 11.417 ======================= Grid point 75 (39/63) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -12.297 -23.943 -3.177) 27.103 1.435 ( -12.297 23.943 -3.177) 27.103 1.854 ( -6.558 -29.156 1.933) 29.947 1.854 ( -6.558 29.156 1.933) 29.947 2.499 ( -2.024 -5.099 0.982) 5.573 2.499 ( -2.024 5.099 0.982) 5.573 2.831 ( -0.453 -7.703 -2.699) 8.175 2.831 ( -0.453 7.703 -2.699) 8.175 3.001 ( -12.247 -17.596 6.508) 22.405 3.001 ( -12.247 17.596 6.508) 22.405 3.196 ( 1.977 -9.652 -4.641) 10.891 3.196 ( 1.977 9.652 -4.641) 10.891 3.522 ( -0.291 -6.924 -1.356) 7.062 3.522 ( -0.291 6.924 -1.356) 7.062 3.672 ( 1.453 -3.130 -4.117) 5.373 3.672 ( 1.453 3.130 -4.117) 5.373 3.721 ( -1.751 -2.779 2.965) 4.425 3.721 ( -1.751 2.779 2.965) 4.425 3.845 ( -2.494 -4.479 -0.736) 5.179 3.845 ( -2.494 4.479 -0.736) 5.179 4.011 ( 0.023 -5.385 0.731) 5.435 4.011 ( 0.023 5.385 0.731) 5.435 4.088 ( -0.321 -3.010 -1.043) 3.201 4.088 ( -0.321 3.010 -1.043) 3.201 4.278 ( 2.031 -2.543 1.464) 3.568 4.278 ( 2.031 2.543 1.464) 3.568 4.404 ( -4.598 -5.229 10.156) 12.314 4.404 ( -4.598 5.229 10.156) 12.314 4.699 ( -0.799 -8.499 -0.873) 8.581 4.699 ( -0.799 8.499 -0.873) 8.581 4.839 ( 4.527 -2.711 -3.685) 6.436 4.839 ( 4.527 2.711 -3.685) 6.436 4.941 ( 3.236 -4.101 2.167) 5.656 4.941 ( 3.236 4.101 2.167) 5.656 5.026 ( 3.421 -7.490 5.595) 9.955 5.026 ( 3.421 7.490 5.595) 9.955 5.156 ( 1.413 -2.254 -2.502) 3.652 5.156 ( 1.413 2.254 -2.502) 3.652 5.284 ( -1.809 -4.024 -2.178) 4.920 5.284 ( -1.809 4.024 -2.178) 4.920 5.476 ( 2.010 -9.907 -6.809) 12.188 5.476 ( 2.010 9.907 -6.809) 12.188 5.594 ( 2.322 -3.753 -0.302) 4.424 5.594 ( 2.322 3.753 -0.302) 4.424 5.666 ( 2.446 -4.424 -6.093) 7.917 5.666 ( 2.446 4.424 -6.093) 7.917 5.813 ( 3.771 -5.147 -0.904) 6.444 5.813 ( 3.771 5.147 -0.904) 6.444 5.957 ( 0.724 -2.941 -3.137) 4.361 5.957 ( 0.724 2.941 -3.137) 4.361 6.111 ( 2.585 -2.714 -0.155) 3.751 6.111 ( 2.585 2.714 -0.155) 3.751 6.176 ( 5.921 -4.922 0.094) 7.700 6.176 ( 5.921 4.922 0.094) 7.700 6.265 ( -1.804 -3.425 -3.026) 4.913 6.265 ( -1.804 3.425 -3.026) 4.913 6.422 ( -3.385 -0.967 2.573) 4.361 6.422 ( -3.385 0.967 2.573) 4.361 6.630 ( -3.129 -3.992 8.818) 10.172 6.630 ( -3.129 3.992 8.818) 10.172 6.755 ( -1.190 -6.328 2.649) 6.963 6.755 ( -1.190 6.328 2.649) 6.963 6.984 ( -1.426 -4.179 7.579) 8.771 6.984 ( -1.426 4.179 7.579) 8.771 7.087 ( 4.326 -7.765 -3.706) 9.630 7.087 ( 4.326 7.765 -3.706) 9.630 7.275 ( 3.262 -5.719 -1.231) 6.698 7.275 ( 3.262 5.719 -1.231) 6.698 7.461 ( -0.728 -2.488 -2.256) 3.436 7.461 ( -0.728 2.488 -2.256) 3.436 7.759 ( 2.775 -3.996 -5.187) 7.112 7.759 ( 2.775 3.996 -5.187) 7.112 7.957 ( -0.156 -3.483 -1.352) 3.739 7.957 ( -0.156 3.483 -1.352) 3.739 8.135 ( 1.580 -1.946 2.913) 3.843 8.135 ( 1.580 1.946 2.913) 3.843 8.474 ( -1.349 -0.364 0.937) 1.682 8.474 ( -1.349 0.364 0.937) 1.682 8.663 ( 5.415 -2.770 0.888) 6.147 8.663 ( 5.415 2.770 0.888) 6.147 8.688 ( 4.407 -3.089 -0.873) 5.452 8.688 ( 4.407 3.089 -0.873) 5.452 8.852 ( 0.391 -2.972 1.439) 3.325 8.852 ( 0.391 2.972 1.439) 3.325 8.999 ( -4.219 -2.240 -0.814) 4.846 8.999 ( -4.219 2.240 -0.814) 4.846 9.221 ( -1.428 -8.542 -2.702) 9.072 9.221 ( -1.428 8.542 -2.702) 9.072 9.262 ( -1.219 -4.363 -1.031) 4.646 9.262 ( -1.219 4.363 -1.031) 4.646 9.479 ( -0.255 -7.200 2.768) 7.718 9.479 ( -0.255 7.200 2.768) 7.718 9.560 ( -0.779 -3.836 -2.094) 4.439 9.560 ( -0.779 3.836 -2.094) 4.439 9.923 ( -0.264 -4.422 -0.578) 4.467 9.923 ( -0.264 4.422 -0.578) 4.467 10.094 ( -0.777 -3.664 -2.041) 4.266 10.094 ( -0.777 3.664 -2.041) 4.266 10.343 ( -4.089 -1.401 1.601) 4.609 10.343 ( -4.089 1.401 1.601) 4.609 10.574 ( 2.184 -5.782 -0.283) 6.187 10.574 ( 2.184 5.782 -0.283) 6.187 10.736 ( -1.422 -3.963 2.053) 4.684 10.736 ( -1.422 3.963 2.053) 4.684 10.980 ( 0.388 -5.598 -1.397) 5.783 10.980 ( 0.388 5.598 -1.397) 5.783 11.330 ( -0.473 -1.478 0.646) 1.681 11.330 ( -0.473 1.478 0.646) 1.681 11.871 ( -0.053 -3.000 1.659) 3.428 11.871 ( -0.053 3.000 1.659) 3.428 12.098 ( -2.070 -3.714 0.077) 4.253 12.098 ( -2.070 3.714 0.077) 4.253 12.252 ( 2.894 -2.814 2.928) 4.987 12.252 ( 2.894 2.814 2.928) 4.987 12.307 ( 1.661 -6.151 1.081) 6.462 12.307 ( 1.661 6.151 1.081) 6.462 12.529 ( 0.428 -4.855 -0.537) 4.904 12.529 ( 0.428 4.855 -0.537) 4.904 12.637 ( 2.288 -4.063 -0.299) 4.672 12.637 ( 2.288 4.063 -0.299) 4.672 12.909 ( 0.451 -8.898 0.242) 8.913 12.909 ( 0.451 8.898 0.242) 8.913 13.059 ( -1.933 -1.902 -0.799) 2.827 13.059 ( -1.933 1.902 -0.799) 2.827 13.205 ( -2.287 -5.476 0.043) 5.935 13.205 ( -2.287 5.476 0.043) 5.935 13.240 ( -1.754 -2.452 3.193) 4.391 13.240 ( -1.754 2.452 3.193) 4.391 13.443 ( 4.946 -5.263 2.420) 7.617 13.443 ( 4.946 5.263 2.420) 7.617 13.721 ( 4.952 -3.953 -5.877) 8.642 13.721 ( 4.952 3.953 -5.877) 8.642 14.012 ( -0.012 -7.865 2.255) 8.182 14.012 ( -0.012 7.865 2.255) 8.182 14.502 ( 1.131 -6.003 -0.186) 6.112 14.502 ( 1.131 6.003 -0.186) 6.112 14.619 ( 0.599 -7.030 1.516) 7.217 14.619 ( 0.599 7.030 1.516) 7.217 14.828 ( 0.798 -4.885 -2.801) 5.687 14.828 ( 0.798 4.885 -2.801) 5.687 15.270 ( 3.757 -7.223 -3.916) 9.035 15.270 ( 3.757 7.223 -3.916) 9.035 15.404 ( 1.928 -4.909 -1.845) 5.588 15.404 ( 1.928 4.909 -1.845) 5.588 15.668 ( 4.259 -4.775 1.487) 6.569 15.668 ( 4.259 4.775 1.487) 6.569 15.868 ( -7.175 -12.712 3.478) 15.005 15.868 ( -7.175 12.712 3.478) 15.005 15.979 ( -1.303 -3.268 1.621) 3.874 15.979 ( -1.303 3.268 1.621) 3.874 16.176 ( -0.291 -4.911 -3.350) 5.952 16.176 ( -0.291 4.911 -3.350) 5.952 16.601 ( -2.760 -4.600 -1.061) 5.468 16.601 ( -2.760 4.600 -1.061) 5.468 16.825 ( -0.945 -3.598 -0.315) 3.733 16.825 ( -0.945 3.598 -0.315) 3.733 19.245 ( -0.522 -5.477 2.398) 6.001 19.245 ( -0.522 5.477 2.398) 6.001 19.483 ( 1.011 -8.654 -3.949) 9.566 19.483 ( 1.011 8.654 -3.949) 9.566 21.027 ( -0.887 -5.310 -0.041) 5.384 21.027 ( -0.887 5.310 -0.041) 5.384 21.161 ( -3.253 -3.948 1.073) 5.227 21.161 ( -3.253 3.948 1.073) 5.227 24.953 ( -0.608 -1.094 2.469) 2.768 24.953 ( -0.608 1.094 2.469) 2.768 25.281 ( -2.447 -1.560 1.977) 3.511 25.281 ( -2.447 1.560 1.977) 3.511 25.991 ( 0.280 -0.662 -2.203) 2.318 25.991 ( 0.280 0.662 -2.203) 2.318 26.108 ( 1.214 -0.963 2.605) 3.031 26.108 ( 1.214 0.963 2.605) 3.031 26.467 ( -0.957 -3.651 -2.372) 4.458 26.467 ( -0.957 3.651 -2.372) 4.458 27.009 ( 0.945 -3.632 1.785) 4.156 27.009 ( 0.945 3.632 1.785) 4.156 27.119 ( -4.262 -1.762 1.699) 4.915 27.119 ( -4.262 1.762 1.699) 4.915 27.386 ( -2.397 -3.928 1.028) 4.715 27.386 ( -2.397 3.928 1.028) 4.715 27.518 ( 0.184 -3.444 -1.995) 3.985 27.518 ( 0.184 3.444 -1.995) 3.985 27.912 ( -0.565 -1.420 3.382) 3.711 27.912 ( -0.565 1.420 3.382) 3.711 28.191 ( -0.162 -7.109 -1.726) 7.317 28.191 ( -0.162 7.109 -1.726) 7.317 28.209 ( 0.990 -3.098 2.148) 3.897 28.209 ( 0.990 3.098 2.148) 3.897 28.375 ( -0.422 -2.960 -0.378) 3.014 28.375 ( -0.422 2.960 -0.378) 3.014 28.680 ( 5.265 -3.698 -2.858) 7.040 28.680 ( 5.265 3.698 -2.858) 7.040 29.109 ( 9.887 -6.144 3.304) 12.100 29.109 ( 9.887 6.144 3.304) 12.100 29.493 ( -0.633 -6.991 -7.418) 10.213 29.493 ( -0.633 6.991 -7.418) 10.213 29.758 ( -1.472 -6.148 2.386) 6.757 29.758 ( -1.472 6.148 2.386) 6.757 30.114 ( -5.504 -4.286 4.677) 8.399 30.114 ( -5.504 4.286 4.677) 8.399 30.557 ( 3.767 -4.519 -0.286) 5.890 30.557 ( 3.767 4.519 -0.286) 5.890 31.051 ( -5.158 -7.984 -4.762) 10.631 31.051 ( -5.158 7.984 -4.762) 10.631 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -11.888 0.000 30.806) 33.020 1.663 ( -7.689 0.000 32.333) 33.235 1.893 ( 8.945 0.000 -19.233) 21.211 2.373 ( 9.652 0.000 -28.236) 29.840 2.616 ( 3.811 0.000 39.475) 39.659 2.673 ( 4.108 0.000 2.478) 4.798 2.705 ( 13.004 0.000 13.875) 19.017 2.988 ( -2.375 0.000 3.027) 3.847 3.035 ( 4.726 0.000 -5.828) 7.503 3.044 ( 6.031 0.000 8.784) 10.655 3.249 ( -2.567 0.000 -3.723) 4.522 3.330 ( 1.053 0.000 -0.902) 1.386 3.377 ( -0.970 0.000 12.793) 12.829 3.477 ( 4.910 0.000 1.954) 5.284 3.539 ( -4.035 0.000 -5.311) 6.670 3.571 ( -4.003 0.000 4.735) 6.200 3.645 ( 3.325 0.000 -11.463) 11.936 3.701 ( -1.991 0.000 -5.732) 6.068 3.836 ( -10.613 0.000 0.124) 10.614 3.872 ( -11.278 0.000 -0.737) 11.302 3.889 ( 5.092 0.000 1.171) 5.225 4.016 ( 6.499 0.000 -13.493) 14.977 4.171 ( 7.191 0.000 -2.140) 7.503 4.189 ( -3.872 0.000 -3.951) 5.532 4.287 ( 1.153 0.000 5.392) 5.514 4.355 ( -2.409 0.000 -0.364) 2.437 4.417 ( 9.901 0.000 6.389) 11.784 4.527 ( -3.635 0.000 -13.104) 13.599 4.583 ( 1.696 0.000 -6.002) 6.237 4.691 ( -5.241 0.000 -10.503) 11.738 4.766 ( 3.162 0.000 10.887) 11.337 4.820 ( -4.627 0.000 2.669) 5.342 4.853 ( 4.708 0.000 8.245) 9.495 4.953 ( 1.334 0.000 4.040) 4.254 5.008 ( -3.680 0.000 1.474) 3.964 5.043 ( -0.734 0.000 -3.301) 3.381 5.140 ( -11.895 0.000 -6.669) 13.637 5.180 ( 0.103 0.000 4.302) 4.303 5.195 ( 4.364 0.000 -8.425) 9.488 5.250 ( -1.186 0.000 -1.408) 1.841 5.334 ( -6.279 0.000 2.906) 6.919 5.416 ( 6.459 0.000 -2.484) 6.920 5.489 ( 4.242 0.000 2.895) 5.135 5.510 ( 5.038 0.000 0.224) 5.043 5.542 ( -2.428 0.000 1.685) 2.955 5.603 ( -2.086 0.000 -4.330) 4.807 5.699 ( 2.223 0.000 -2.937) 3.684 5.765 ( 3.204 0.000 -3.970) 5.101 5.923 ( 0.473 0.000 0.347) 0.587 5.926 ( -0.686 0.000 1.343) 1.509 5.990 ( -4.396 0.000 -4.108) 6.016 6.011 ( -3.599 0.000 -5.312) 6.416 6.193 ( 2.581 0.000 -1.726) 3.105 6.211 ( -10.380 0.000 -5.465) 11.731 6.253 ( -1.727 0.000 1.101) 2.049 6.292 ( 0.606 0.000 -2.025) 2.113 6.530 ( 2.220 0.000 4.552) 5.065 6.566 ( -4.821 0.000 4.301) 6.461 6.694 ( 5.891 0.000 0.456) 5.909 6.730 ( 0.774 0.000 -4.454) 4.521 6.892 ( -0.005 0.000 3.740) 3.740 6.933 ( 1.169 0.000 3.488) 3.678 6.934 ( -1.582 0.000 1.681) 2.308 6.960 ( -0.594 0.000 6.505) 6.532 7.044 ( -1.752 0.000 0.239) 1.768 7.164 ( -0.328 0.000 -6.998) 7.006 7.262 ( 4.213 0.000 7.181) 8.325 7.358 ( -1.673 0.000 -3.095) 3.518 7.510 ( 3.651 0.000 0.258) 3.660 7.527 ( -8.645 0.000 1.170) 8.724 7.534 ( 6.384 0.000 0.945) 6.453 7.588 ( -0.189 0.000 -6.576) 6.579 7.920 ( -2.647 0.000 -0.925) 2.804 7.938 ( 4.790 0.000 -1.892) 5.150 8.082 ( 0.700 0.000 4.050) 4.110 8.163 ( -6.850 0.000 -0.369) 6.860 8.347 ( -1.038 0.000 2.653) 2.849 8.482 ( 2.623 0.000 -4.211) 4.961 8.532 ( 0.963 0.000 -3.457) 3.589 8.567 ( 5.406 0.000 -3.683) 6.541 8.767 ( -1.096 0.000 1.115) 1.563 8.776 ( -4.849 0.000 0.407) 4.866 8.833 ( 2.442 0.000 0.406) 2.475 8.840 ( -2.928 0.000 0.329) 2.946 9.076 ( 6.994 0.000 1.318) 7.117 9.091 ( -4.305 0.000 0.677) 4.358 9.112 ( 1.313 0.000 1.621) 2.086 9.137 ( 0.324 0.000 -1.602) 1.635 9.372 ( -3.232 0.000 3.493) 4.759 9.401 ( 4.221 0.000 0.951) 4.327 9.479 ( -6.214 0.000 3.399) 7.083 9.559 ( 7.147 0.000 -3.903) 8.143 9.617 ( 0.302 0.000 5.212) 5.221 9.702 ( -6.334 0.000 -0.486) 6.352 9.780 ( 3.669 0.000 -2.262) 4.310 9.844 ( 3.187 0.000 -5.919) 6.722 10.016 ( 1.033 0.000 2.406) 2.618 10.093 ( -2.081 0.000 -4.916) 5.339 10.438 ( -1.788 0.000 1.560) 2.373 10.457 ( 0.581 0.000 0.707) 0.915 10.738 ( -4.746 0.000 7.487) 8.864 10.895 ( 10.306 0.000 -5.465) 11.665 10.902 ( 2.008 0.000 4.823) 5.224 10.986 ( -4.400 0.000 -5.360) 6.935 11.028 ( 0.163 0.000 7.045) 7.047 11.031 ( 2.937 0.000 7.005) 7.596 11.166 ( -3.597 0.000 -7.928) 8.705 11.173 ( 1.724 0.000 -6.288) 6.520 11.896 ( 3.709 0.000 4.305) 5.682 11.992 ( -4.992 0.000 -5.458) 7.397 12.134 ( -4.830 0.000 1.385) 5.024 12.142 ( 3.632 0.000 0.448) 3.660 12.201 ( 4.319 0.000 2.096) 4.801 12.244 ( -4.423 0.000 -1.775) 4.766 12.310 ( -2.159 0.000 0.359) 2.188 12.333 ( 5.013 0.000 -1.773) 5.317 12.368 ( -2.641 0.000 8.483) 8.885 12.538 ( 2.944 0.000 -7.816) 8.352 12.757 ( -0.978 0.000 5.496) 5.582 12.788 ( -7.373 0.000 1.915) 7.618 12.847 ( 9.163 0.000 -2.039) 9.387 12.884 ( -0.553 0.000 -5.594) 5.622 12.963 ( 3.038 0.000 1.007) 3.201 12.996 ( -4.922 0.000 -1.617) 5.181 13.165 ( -4.271 0.000 0.568) 4.308 13.167 ( 1.767 0.000 0.924) 1.994 13.366 ( -2.581 0.000 10.197) 10.518 13.444 ( -0.768 0.000 -0.238) 0.804 13.529 ( -1.741 0.000 2.387) 2.955 13.627 ( 4.060 0.000 -4.810) 6.294 13.651 ( 5.972 0.000 2.756) 6.577 13.758 ( 5.112 0.000 -8.202) 9.665 14.077 ( 1.004 0.000 0.319) 1.053 14.101 ( 1.874 0.000 -0.158) 1.880 14.156 ( -5.083 0.000 9.837) 11.073 14.352 ( 3.057 0.000 -4.893) 5.769 14.383 ( -3.021 0.000 -1.817) 3.525 14.436 ( -1.262 0.000 -3.970) 4.166 14.873 ( -8.865 0.000 2.941) 9.340 14.898 ( 4.411 0.000 0.440) 4.432 15.071 ( 3.079 0.000 3.167) 4.417 15.161 ( -4.304 0.000 -5.060) 6.643 15.305 ( 0.625 0.000 -0.961) 1.147 15.318 ( -2.350 0.000 -1.419) 2.745 15.527 ( -0.701 0.000 3.344) 3.416 15.574 ( 0.590 0.000 -0.905) 1.080 15.886 ( -0.206 0.000 2.588) 2.596 15.933 ( -2.767 0.000 1.240) 3.032 15.962 ( -14.989 0.000 3.019) 15.290 16.111 ( 5.414 0.000 -8.126) 9.764 16.264 ( 4.734 0.000 3.737) 6.031 16.337 ( -4.332 0.000 -4.553) 6.284 16.393 ( 3.497 0.000 3.798) 5.163 16.502 ( 1.363 0.000 -5.541) 5.706 16.704 ( 1.732 0.000 1.968) 2.622 16.721 ( -2.590 0.000 0.169) 2.595 19.083 ( -2.748 0.000 2.225) 3.536 19.142 ( 1.887 0.000 -3.839) 4.277 19.569 ( 0.539 0.000 4.356) 4.389 19.655 ( -0.669 0.000 -4.064) 4.119 20.872 ( -0.149 0.000 2.794) 2.798 20.924 ( -0.318 0.000 -2.455) 2.476 21.259 ( -1.781 0.000 3.302) 3.752 21.326 ( 2.954 0.000 -3.311) 4.438 24.978 ( -0.466 0.000 3.082) 3.117 25.058 ( -0.527 0.000 -5.052) 5.079 25.383 ( 3.982 0.000 4.552) 6.048 25.423 ( -6.478 0.000 0.390) 6.490 25.808 ( -0.664 0.000 -0.018) 0.665 25.848 ( -0.452 0.000 -3.739) 3.767 26.110 ( 0.492 0.000 2.276) 2.328 26.133 ( -0.489 0.000 0.005) 0.489 26.598 ( 11.040 0.000 3.893) 11.706 26.624 ( -1.150 0.000 2.013) 2.319 26.955 ( -0.972 0.000 -0.987) 1.385 26.974 ( -2.034 0.000 -2.607) 3.307 27.046 ( -3.574 0.000 6.412) 7.341 27.157 ( -0.093 0.000 -4.126) 4.127 27.369 ( 1.150 0.000 0.004) 1.150 27.398 ( 3.015 0.000 -0.471) 3.051 27.400 ( -4.384 0.000 -0.512) 4.413 27.409 ( -1.641 0.000 -3.729) 4.074 27.802 ( 4.522 0.000 4.919) 6.682 27.912 ( -4.147 0.000 -6.404) 7.630 28.026 ( -3.781 0.000 0.528) 3.818 28.043 ( 2.918 0.000 -1.325) 3.205 28.285 ( -3.113 0.000 3.024) 4.340 28.333 ( 6.793 0.000 -1.884) 7.049 28.477 ( 3.945 0.000 1.307) 4.156 28.506 ( -2.550 0.000 -1.397) 2.907 28.911 ( 3.287 0.000 6.441) 7.231 29.004 ( -5.472 0.000 -2.312) 5.940 29.168 ( -13.760 0.000 2.412) 13.970 29.212 ( 5.954 0.000 -2.202) 6.348 29.329 ( 6.311 0.000 -0.103) 6.312 29.357 ( -1.538 0.000 -2.683) 3.092 29.799 ( -14.052 0.000 2.637) 14.297 29.842 ( 20.793 0.000 -1.705) 20.863 30.114 ( -4.380 0.000 7.098) 8.340 30.227 ( 3.172 0.000 -4.420) 5.441 30.541 ( 9.063 0.000 0.696) 9.090 30.579 ( -9.605 0.000 -2.829) 10.013 30.929 ( -2.876 0.000 2.826) 4.032 30.997 ( 5.949 0.000 -3.695) 7.003 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -3.646 0.000 22.827) 23.116 1.776 ( -2.007 0.000 16.293) 16.416 1.892 ( 7.967 0.000 -8.313) 11.514 2.061 ( -8.603 0.000 -38.953) 39.892 2.525 ( -11.552 0.000 -8.098) 14.108 2.728 ( -1.812 0.000 -13.051) 13.176 2.912 ( -6.640 0.000 -1.418) 6.790 2.992 ( -3.804 0.000 -1.265) 4.009 2.996 ( -4.696 0.000 -3.500) 5.857 3.220 ( 3.122 0.000 -22.641) 22.855 3.263 ( 6.266 0.000 5.985) 8.665 3.330 ( 4.419 0.000 6.193) 7.608 3.428 ( 3.793 0.000 -8.884) 9.660 3.498 ( 1.874 0.000 14.764) 14.883 3.531 ( 3.636 0.000 -12.142) 12.675 3.556 ( 2.699 0.000 4.152) 4.952 3.618 ( -0.830 0.000 -1.226) 1.481 3.637 ( 6.717 0.000 16.670) 17.972 3.802 ( -4.240 0.000 -0.748) 4.306 3.902 ( 7.416 0.000 12.844) 14.832 3.907 ( -0.578 0.000 -3.914) 3.957 4.050 ( -6.200 0.000 -1.371) 6.349 4.169 ( 12.472 0.000 2.490) 12.718 4.177 ( -4.889 0.000 -5.790) 7.578 4.299 ( 0.280 0.000 -2.138) 2.156 4.343 ( 2.369 0.000 -4.140) 4.770 4.415 ( -1.170 0.000 -3.724) 3.903 4.521 ( -0.958 0.000 2.636) 2.805 4.533 ( 3.333 0.000 -0.744) 3.415 4.681 ( 3.084 0.000 5.881) 6.641 4.759 ( -3.724 0.000 -1.107) 3.886 4.814 ( -4.413 0.000 -4.365) 6.207 4.880 ( -0.595 0.000 6.304) 6.332 4.958 ( -11.678 0.000 9.926) 15.327 4.959 ( 0.168 0.000 -2.507) 2.513 5.094 ( 5.689 0.000 -0.222) 5.693 5.101 ( -4.743 0.000 -2.867) 5.542 5.150 ( 9.885 0.000 1.479) 9.995 5.196 ( -5.277 0.000 -2.730) 5.941 5.232 ( 3.547 0.000 2.624) 4.412 5.305 ( 0.839 0.000 6.034) 6.092 5.458 ( -4.852 0.000 1.260) 5.013 5.461 ( -0.408 0.000 -3.399) 3.424 5.547 ( 0.492 0.000 -4.270) 4.299 5.633 ( -3.814 0.000 -1.873) 4.250 5.643 ( 8.883 0.000 -3.038) 9.389 5.693 ( 6.432 0.000 -2.329) 6.840 5.728 ( 6.799 0.000 -3.538) 7.664 5.893 ( -4.130 0.000 2.988) 5.098 5.931 ( -1.427 0.000 -1.888) 2.366 5.974 ( -3.293 0.000 3.340) 4.690 6.013 ( 6.489 0.000 4.668) 7.994 6.107 ( -0.542 0.000 6.898) 6.919 6.241 ( -7.134 0.000 3.510) 7.950 6.315 ( 4.689 0.000 -0.889) 4.773 6.329 ( 7.631 0.000 6.764) 10.198 6.467 ( -7.994 0.000 -0.922) 8.047 6.620 ( 5.028 0.000 1.303) 5.194 6.666 ( -1.148 0.000 -1.477) 1.870 6.760 ( 2.211 0.000 -0.997) 2.426 6.852 ( -6.757 0.000 3.512) 7.616 6.903 ( -3.043 0.000 0.717) 3.127 6.935 ( -0.311 0.000 -5.767) 5.776 6.992 ( -1.123 0.000 4.801) 4.931 7.056 ( -2.855 0.000 8.989) 9.432 7.096 ( 1.544 0.000 -8.612) 8.750 7.289 ( 0.153 0.000 -6.485) 6.487 7.358 ( -6.923 0.000 2.577) 7.388 7.416 ( 2.106 0.000 1.012) 2.337 7.526 ( -0.191 0.000 -5.475) 5.479 7.545 ( 0.709 0.000 -1.214) 1.406 7.617 ( 1.402 0.000 1.641) 2.159 7.897 ( 0.256 0.000 0.500) 0.561 8.021 ( 7.496 0.000 -1.883) 7.728 8.054 ( -5.342 0.000 0.519) 5.367 8.167 ( 0.441 0.000 8.526) 8.538 8.372 ( 0.595 0.000 2.434) 2.506 8.448 ( -4.605 0.000 1.672) 4.900 8.494 ( 2.741 0.000 -10.697) 11.042 8.584 ( -1.050 0.000 -3.887) 4.027 8.674 ( -7.143 0.000 2.231) 7.483 8.715 ( -4.133 0.000 3.644) 5.510 8.853 ( -1.483 0.000 2.057) 2.536 8.902 ( 3.003 0.000 1.271) 3.261 8.990 ( 0.654 0.000 -6.273) 6.307 9.078 ( -1.176 0.000 -0.074) 1.178 9.090 ( -6.099 0.000 -2.865) 6.738 9.221 ( 3.604 0.000 3.395) 4.951 9.360 ( 0.071 0.000 -0.189) 0.202 9.369 ( -5.995 0.000 3.668) 7.029 9.510 ( 3.143 0.000 -1.237) 3.378 9.587 ( 3.299 0.000 -6.113) 6.947 9.660 ( 3.503 0.000 -2.007) 4.037 9.663 ( -1.378 0.000 5.790) 5.952 9.823 ( 1.870 0.000 -0.434) 1.920 9.875 ( 7.197 0.000 -6.353) 9.600 10.019 ( -1.134 0.000 -2.504) 2.748 10.073 ( 0.930 0.000 4.752) 4.842 10.422 ( -8.146 0.000 1.514) 8.285 10.429 ( -0.880 0.000 1.301) 1.571 10.675 ( -3.404 0.000 -0.048) 3.405 10.842 ( -4.575 0.000 -6.820) 8.212 10.894 ( -2.511 0.000 -3.244) 4.102 10.975 ( 0.371 0.000 5.330) 5.343 10.997 ( -5.786 0.000 -7.963) 9.843 11.108 ( 0.201 0.000 8.705) 8.707 11.120 ( -1.652 0.000 -7.442) 7.623 11.150 ( 2.849 0.000 6.042) 6.680 11.868 ( -3.380 0.000 -2.427) 4.160 12.015 ( 3.988 0.000 4.699) 6.163 12.052 ( -5.162 0.000 1.052) 5.268 12.131 ( -4.565 0.000 -1.913) 4.950 12.217 ( 3.063 0.000 1.161) 3.276 12.263 ( -0.288 0.000 1.993) 2.013 12.330 ( 5.284 0.000 -1.703) 5.552 12.374 ( 1.719 0.000 -3.941) 4.299 12.438 ( 0.369 0.000 7.424) 7.433 12.513 ( 4.238 0.000 -7.928) 8.990 12.687 ( -4.301 0.000 -0.212) 4.306 12.813 ( -1.013 0.000 7.444) 7.513 12.863 ( 3.692 0.000 -4.280) 5.652 12.872 ( -3.815 0.000 -0.794) 3.896 13.021 ( 5.573 0.000 1.327) 5.728 13.036 ( 1.641 0.000 2.006) 2.592 13.100 ( -1.404 0.000 -0.277) 1.431 13.206 ( 1.802 0.000 2.149) 2.804 13.366 ( -9.225 0.000 11.779) 14.962 13.408 ( -1.192 0.000 -3.681) 3.869 13.515 ( 3.670 0.000 -5.918) 6.963 13.573 ( -6.933 0.000 -5.472) 8.832 13.686 ( 2.061 0.000 -8.214) 8.468 13.718 ( 1.318 0.000 -0.856) 1.571 14.040 ( -7.516 0.000 -6.277) 9.793 14.108 ( 3.598 0.000 2.143) 4.188 14.257 ( -1.483 0.000 3.170) 3.500 14.340 ( 7.693 0.000 0.569) 7.714 14.386 ( -0.683 0.000 0.464) 0.825 14.420 ( 1.053 0.000 1.007) 1.457 14.741 ( -9.004 0.000 3.504) 9.662 14.923 ( -0.743 0.000 2.757) 2.855 15.045 ( -3.966 0.000 -3.161) 5.072 15.152 ( -0.243 0.000 4.758) 4.764 15.311 ( 2.895 0.000 1.909) 3.468 15.352 ( 2.615 0.000 1.534) 3.032 15.526 ( -2.393 0.000 2.049) 3.151 15.536 ( -2.855 0.000 -1.789) 3.369 15.844 ( -8.026 0.000 11.510) 14.032 15.869 ( -5.164 0.000 2.299) 5.653 15.893 ( -1.560 0.000 0.560) 1.658 16.169 ( 6.017 0.000 -0.465) 6.035 16.222 ( -4.677 0.000 -4.185) 6.276 16.363 ( 2.708 0.000 1.404) 3.051 16.536 ( 8.792 0.000 -8.281) 12.077 16.545 ( 8.172 0.000 4.252) 9.212 16.753 ( 5.922 0.000 0.198) 5.925 16.807 ( 7.326 0.000 1.348) 7.449 19.098 ( 0.690 0.000 2.294) 2.395 19.177 ( 5.183 0.000 -0.164) 5.186 19.592 ( -1.394 0.000 -4.442) 4.655 19.608 ( -1.449 0.000 4.490) 4.718 20.911 ( 1.250 0.000 -2.612) 2.896 20.920 ( 2.266 0.000 3.171) 3.897 21.227 ( -4.693 0.000 1.870) 5.052 21.293 ( -2.049 0.000 -3.303) 3.887 25.005 ( -0.915 0.000 3.870) 3.977 25.011 ( -0.108 0.000 -2.604) 2.606 25.364 ( -1.070 0.000 -0.860) 1.373 25.523 ( 6.346 0.000 3.740) 7.367 25.816 ( -0.387 0.000 2.867) 2.893 25.824 ( 0.586 0.000 -1.102) 1.248 26.114 ( -1.058 0.000 -1.191) 1.593 26.132 ( 0.171 0.000 1.376) 1.386 26.532 ( -3.726 0.000 -7.730) 8.581 26.699 ( 2.440 0.000 -6.492) 6.936 26.987 ( 2.829 0.000 -0.702) 2.915 27.006 ( 4.472 0.000 3.005) 5.388 27.134 ( 4.589 0.000 8.914) 10.025 27.185 ( 8.039 0.000 -0.737) 8.073 27.330 ( -3.295 0.000 2.535) 4.157 27.352 ( -1.240 0.000 -1.697) 2.102 27.414 ( 1.614 0.000 2.157) 2.694 27.454 ( 2.248 0.000 0.135) 2.252 27.757 ( -6.136 0.000 -6.392) 8.860 27.908 ( 2.074 0.000 5.656) 6.024 27.973 ( -3.408 0.000 1.563) 3.749 28.090 ( 2.862 0.000 -0.614) 2.927 28.215 ( -5.677 0.000 -2.055) 6.038 28.361 ( 0.553 0.000 -2.326) 2.391 28.442 ( -1.541 0.000 -4.343) 4.608 28.539 ( 1.655 0.000 0.677) 1.788 28.834 ( -9.712 0.000 -4.087) 10.537 28.934 ( -8.748 0.000 8.403) 12.130 29.038 ( -7.216 0.000 5.168) 8.876 29.168 ( -15.894 0.000 2.756) 16.131 29.264 ( -3.299 0.000 -4.160) 5.309 29.402 ( 6.026 0.000 -2.066) 6.370 29.670 ( 2.175 0.000 -2.691) 3.460 29.969 ( -1.510 0.000 -2.392) 2.828 30.200 ( 5.333 0.000 7.030) 8.824 30.241 ( 2.272 0.000 -6.194) 6.597 30.395 ( -8.004 0.000 -0.605) 8.027 30.735 ( 12.216 0.000 -0.034) 12.216 30.945 ( 1.537 0.000 4.643) 4.891 31.101 ( 11.271 0.000 -8.922) 14.375 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 1.179 0.000 -23.450) 23.480 1.745 ( 1.796 0.000 6.906) 7.135 1.941 ( 18.294 0.000 -12.219) 22.000 2.025 ( 3.255 0.000 14.808) 15.161 2.322 ( -4.689 0.000 0.672) 4.737 2.427 ( -5.872 0.000 -16.060) 17.100 2.719 ( -10.252 0.000 1.119) 10.313 2.804 ( -16.457 0.000 8.652) 18.593 3.068 ( 5.124 0.000 3.742) 6.345 3.095 ( -1.840 0.000 -6.928) 7.168 3.272 ( -5.250 0.000 -5.404) 7.535 3.389 ( 2.833 0.000 -0.528) 2.882 3.509 ( 3.200 0.000 -1.204) 3.419 3.526 ( -0.667 0.000 -2.584) 2.669 3.563 ( 14.580 0.000 -16.267) 21.845 3.631 ( 16.466 0.000 -9.865) 19.195 3.671 ( 3.548 0.000 8.529) 9.238 3.746 ( 3.663 0.000 -4.394) 5.721 3.782 ( -4.154 0.000 -7.145) 8.265 3.901 ( -7.499 0.000 8.461) 11.306 4.064 ( 10.143 0.000 5.800) 11.685 4.081 ( 1.335 0.000 -0.606) 1.466 4.169 ( 8.852 0.000 1.149) 8.926 4.231 ( -1.493 0.000 1.804) 2.341 4.269 ( -4.355 0.000 -1.058) 4.482 4.367 ( -0.091 0.000 2.290) 2.292 4.437 ( 5.448 0.000 -5.536) 7.767 4.573 ( 1.722 0.000 6.149) 6.386 4.613 ( 1.987 0.000 0.146) 1.992 4.707 ( -8.022 0.000 6.949) 10.613 4.733 ( -1.667 0.000 3.742) 4.096 4.827 ( 3.154 0.000 2.425) 3.979 4.879 ( -4.086 0.000 0.242) 4.093 4.913 ( -2.015 0.000 8.349) 8.589 4.916 ( -2.406 0.000 0.352) 2.431 4.998 ( -4.360 0.000 -9.095) 10.086 5.085 ( 5.669 0.000 1.964) 5.999 5.178 ( 2.815 0.000 0.096) 2.817 5.240 ( -3.234 0.000 -2.243) 3.936 5.302 ( 4.022 0.000 -2.181) 4.575 5.318 ( -4.745 0.000 2.095) 5.187 5.387 ( -4.117 0.000 2.128) 4.634 5.438 ( -2.684 0.000 2.822) 3.895 5.537 ( -0.204 0.000 -2.915) 2.922 5.543 ( -6.283 0.000 2.965) 6.948 5.730 ( -0.157 0.000 -2.918) 2.922 5.736 ( 6.763 0.000 -5.828) 8.927 5.828 ( 3.226 0.000 -1.282) 3.472 5.864 ( -3.254 0.000 -2.950) 4.393 5.869 ( 5.710 0.000 -5.048) 7.622 5.953 ( -2.345 0.000 0.824) 2.486 6.089 ( -6.747 0.000 2.988) 7.379 6.138 ( -5.190 0.000 6.523) 8.335 6.204 ( -0.057 0.000 8.015) 8.015 6.264 ( -4.278 0.000 -5.583) 7.033 6.406 ( 2.621 0.000 2.047) 3.326 6.495 ( 1.792 0.000 3.799) 4.200 6.658 ( -2.953 0.000 -1.203) 3.188 6.744 ( -0.071 0.000 10.742) 10.742 6.786 ( 2.620 0.000 -0.731) 2.720 6.809 ( 1.284 0.000 0.121) 1.290 6.852 ( 1.958 0.000 -9.073) 9.281 6.926 ( 0.383 0.000 3.249) 3.272 6.983 ( -3.411 0.000 1.842) 3.876 7.065 ( 4.096 0.000 -6.115) 7.360 7.094 ( -2.234 0.000 5.981) 6.384 7.221 ( 0.307 0.000 -8.334) 8.340 7.248 ( -4.377 0.000 2.584) 5.082 7.459 ( -1.449 0.000 -4.786) 5.001 7.485 ( 5.958 0.000 -5.400) 8.041 7.548 ( -2.055 0.000 7.474) 7.752 7.629 ( -2.246 0.000 3.588) 4.233 7.910 ( 1.767 0.000 -2.183) 2.809 7.979 ( -4.304 0.000 0.215) 4.309 8.145 ( 7.522 0.000 -1.204) 7.618 8.202 ( -5.662 0.000 3.872) 6.859 8.343 ( -6.932 0.000 -0.765) 6.974 8.388 ( -2.563 0.000 -0.660) 2.647 8.433 ( -2.397 0.000 -1.859) 3.033 8.446 ( -7.887 0.000 1.000) 7.951 8.615 ( -0.733 0.000 -2.595) 2.697 8.741 ( 0.410 0.000 6.568) 6.581 8.810 ( -0.906 0.000 -1.942) 2.143 8.874 ( -10.130 0.000 -5.719) 11.633 8.897 ( -2.821 0.000 -0.054) 2.822 9.039 ( 8.130 0.000 -3.334) 8.787 9.112 ( 2.094 0.000 0.810) 2.245 9.304 ( 1.464 0.000 3.142) 3.467 9.357 ( -1.458 0.000 7.805) 7.940 9.367 ( 2.812 0.000 0.385) 2.839 9.501 ( -1.908 0.000 -1.984) 2.752 9.642 ( 8.767 0.000 -5.494) 10.346 9.702 ( 0.004 0.000 3.142) 3.142 9.711 ( 3.820 0.000 -1.329) 4.044 9.841 ( 0.275 0.000 2.227) 2.244 9.892 ( -0.109 0.000 -1.716) 1.720 10.062 ( 7.368 0.000 -0.673) 7.399 10.099 ( -5.165 0.000 4.451) 6.818 10.266 ( -5.455 0.000 0.292) 5.463 10.428 ( -0.060 0.000 -0.227) 0.235 10.669 ( 2.623 0.000 -2.736) 3.791 10.715 ( -3.748 0.000 -3.341) 5.021 10.793 ( -6.978 0.000 -0.918) 7.038 10.867 ( 0.595 0.000 -5.305) 5.338 11.021 ( -2.120 0.000 -2.379) 3.186 11.030 ( 0.235 0.000 4.689) 4.695 11.181 ( -2.040 0.000 8.253) 8.502 11.246 ( 0.442 0.000 6.383) 6.398 11.841 ( 1.122 0.000 0.084) 1.125 11.992 ( -2.578 0.000 0.690) 2.668 12.023 ( -3.506 0.000 -2.497) 4.304 12.126 ( 2.790 0.000 2.522) 3.761 12.265 ( 0.350 0.000 -1.003) 1.062 12.277 ( 0.682 0.000 -0.723) 0.994 12.311 ( -1.852 0.000 -5.369) 5.680 12.376 ( 3.209 0.000 -3.686) 4.887 12.451 ( -1.996 0.000 -4.608) 5.022 12.517 ( 3.603 0.000 -6.897) 7.781 12.671 ( 1.533 0.000 3.547) 3.864 12.793 ( -3.072 0.000 1.788) 3.554 12.873 ( -4.158 0.000 7.260) 8.367 12.908 ( 4.946 0.000 -2.293) 5.452 13.023 ( -2.975 0.000 4.441) 5.345 13.052 ( 0.402 0.000 -0.274) 0.487 13.148 ( -1.947 0.000 2.219) 2.952 13.202 ( -7.821 0.000 -5.469) 9.544 13.332 ( 3.295 0.000 2.417) 4.087 13.375 ( 3.280 0.000 3.044) 4.475 13.505 ( 4.324 0.000 -3.774) 5.739 13.508 ( 1.301 0.000 -3.275) 3.524 13.680 ( 2.146 0.000 -1.711) 2.744 13.707 ( 0.969 0.000 -3.493) 3.625 13.867 ( -3.619 0.000 -4.603) 5.856 14.086 ( -7.550 0.000 2.506) 7.955 14.218 ( -5.351 0.000 -3.949) 6.650 14.382 ( -4.579 0.000 -2.135) 5.052 14.431 ( -0.281 0.000 0.170) 0.328 14.456 ( 7.581 0.000 4.955) 9.057 14.723 ( 4.123 0.000 2.285) 4.714 14.900 ( -9.230 0.000 -0.506) 9.244 15.004 ( 2.851 0.000 4.294) 5.155 15.176 ( -0.136 0.000 2.864) 2.867 15.394 ( 0.307 0.000 4.537) 4.548 15.405 ( 2.086 0.000 0.808) 2.237 15.463 ( -3.338 0.000 -1.682) 3.737 15.501 ( -2.151 0.000 1.317) 2.522 15.790 ( -5.503 0.000 1.005) 5.594 15.829 ( -6.922 0.000 8.453) 10.925 15.931 ( 2.977 0.000 3.603) 4.674 16.110 ( -2.850 0.000 -2.297) 3.661 16.241 ( 4.061 0.000 -3.293) 5.229 16.377 ( -1.417 0.000 -0.879) 1.667 16.602 ( 9.020 0.000 -9.570) 13.151 16.722 ( 5.961 0.000 6.780) 9.028 16.868 ( 3.974 0.000 2.112) 4.500 16.957 ( 7.901 0.000 1.480) 8.039 19.136 ( 1.065 0.000 2.126) 2.377 19.289 ( 2.946 0.000 3.906) 4.892 19.540 ( 0.802 0.000 -2.715) 2.831 19.606 ( -3.659 0.000 4.016) 5.433 20.901 ( 1.055 0.000 -3.266) 3.432 20.998 ( 2.139 0.000 3.543) 4.139 21.170 ( -2.582 0.000 1.064) 2.793 21.218 ( -2.633 0.000 -2.333) 3.518 24.999 ( 0.693 0.000 -1.396) 1.558 25.014 ( -1.809 0.000 2.467) 3.059 25.346 ( 0.810 0.000 -2.890) 3.001 25.607 ( 1.045 0.000 -2.301) 2.527 25.833 ( -1.235 0.000 3.200) 3.430 25.848 ( 1.468 0.000 2.118) 2.577 26.079 ( -0.962 0.000 -2.132) 2.339 26.142 ( -1.135 0.000 0.926) 1.465 26.448 ( 2.844 0.000 -4.514) 5.335 26.647 ( 1.340 0.000 -7.851) 7.965 26.978 ( 0.787 0.000 -4.892) 4.955 27.096 ( 3.184 0.000 1.283) 3.432 27.297 ( 3.563 0.000 -2.081) 4.127 27.341 ( 0.430 0.000 4.072) 4.094 27.380 ( 8.382 0.000 3.058) 8.923 27.409 ( 5.302 0.000 11.762) 12.902 27.451 ( -0.536 0.000 -2.073) 2.141 27.458 ( -0.213 0.000 4.216) 4.222 27.610 ( -2.234 0.000 -4.995) 5.472 27.941 ( -2.968 0.000 3.382) 4.500 27.955 ( -1.214 0.000 0.177) 1.227 28.080 ( -2.082 0.000 -2.448) 3.214 28.140 ( 1.729 0.000 -1.022) 2.009 28.338 ( -1.930 0.000 -1.159) 2.251 28.374 ( 1.252 0.000 -5.970) 6.100 28.531 ( -2.425 0.000 -1.274) 2.739 28.640 ( -7.183 0.000 -3.473) 7.979 28.842 ( -10.185 0.000 5.985) 11.814 28.880 ( -17.270 0.000 4.980) 17.973 28.969 ( -7.632 0.000 8.166) 11.178 29.180 ( -2.033 0.000 -4.645) 5.070 29.492 ( 5.887 0.000 -3.679) 6.942 29.691 ( 3.373 0.000 -5.248) 6.239 29.905 ( -2.490 0.000 -1.690) 3.009 30.166 ( -1.324 0.000 -7.592) 7.706 30.309 ( -2.977 0.000 9.664) 10.112 30.378 ( 0.648 0.000 10.017) 10.038 30.921 ( 12.950 0.000 -7.094) 14.766 31.051 ( 2.173 0.000 6.940) 7.272 31.177 ( 9.689 0.000 -11.590) 15.106 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 33.415 0.000 12.768) 35.771 1.922 ( 5.655 0.000 11.479) 12.796 2.103 ( 12.698 0.000 -10.072) 16.208 2.280 ( 15.132 0.000 5.498) 16.099 2.404 ( 6.969 0.000 8.190) 10.754 2.424 ( 7.692 0.000 11.786) 14.074 2.624 ( -18.466 0.000 12.119) 22.088 2.636 ( -1.942 0.000 2.448) 3.124 3.030 ( -1.187 0.000 2.455) 2.727 3.162 ( -2.082 0.000 5.301) 5.695 3.191 ( 0.842 0.000 0.960) 1.277 3.392 ( -2.058 0.000 -3.800) 4.321 3.476 ( -3.821 0.000 -2.960) 4.833 3.495 ( 1.801 0.000 -4.085) 4.464 3.626 ( 4.439 0.000 0.006) 4.439 3.693 ( 2.211 0.000 -2.074) 3.032 3.771 ( 8.010 0.000 -8.034) 11.345 3.787 ( 1.271 0.000 5.061) 5.219 3.810 ( -7.805 0.000 3.470) 8.541 3.990 ( 14.421 0.000 -3.915) 14.943 4.045 ( 13.676 0.000 -15.712) 20.831 4.187 ( -4.669 0.000 5.540) 7.245 4.194 ( -0.675 0.000 2.485) 2.575 4.275 ( 2.915 0.000 0.945) 3.065 4.315 ( 3.129 0.000 6.421) 7.143 4.379 ( 4.059 0.000 -9.821) 10.626 4.491 ( 5.544 0.000 1.454) 5.731 4.526 ( -5.816 0.000 -4.968) 7.649 4.644 ( -0.439 0.000 1.337) 1.408 4.672 ( 1.134 0.000 -5.765) 5.876 4.711 ( -3.189 0.000 0.732) 3.272 4.722 ( -6.048 0.000 -3.862) 7.176 4.780 ( -2.993 0.000 -4.715) 5.585 4.895 ( -3.894 0.000 2.248) 4.496 4.910 ( -5.020 0.000 1.162) 5.152 4.994 ( -17.064 0.000 -0.183) 17.065 5.129 ( -0.205 0.000 9.820) 9.822 5.178 ( -0.180 0.000 3.416) 3.421 5.202 ( -1.366 0.000 2.844) 3.155 5.257 ( 1.294 0.000 -1.296) 1.832 5.310 ( 3.002 0.000 -4.517) 5.424 5.327 ( -9.674 0.000 3.686) 10.353 5.377 ( 4.176 0.000 -5.680) 7.050 5.479 ( -1.972 0.000 -1.097) 2.257 5.544 ( 2.576 0.000 3.944) 4.711 5.730 ( 1.027 0.000 0.980) 1.420 5.749 ( -6.404 0.000 -4.314) 7.722 5.782 ( -1.981 0.000 -2.941) 3.546 5.792 ( 4.851 0.000 -5.737) 7.513 5.917 ( 0.450 0.000 -1.036) 1.130 5.924 ( 4.513 0.000 -2.392) 5.108 6.043 ( -7.108 0.000 0.557) 7.129 6.090 ( -0.431 0.000 5.839) 5.855 6.191 ( -4.535 0.000 -1.415) 4.751 6.262 ( 3.031 0.000 2.388) 3.858 6.411 ( -5.846 0.000 -11.195) 12.629 6.484 ( 2.869 0.000 1.048) 3.054 6.593 ( -6.518 0.000 3.569) 7.431 6.708 ( -5.231 0.000 -4.786) 7.090 6.737 ( -4.194 0.000 -9.642) 10.515 6.815 ( 4.103 0.000 -3.897) 5.659 6.862 ( -4.157 0.000 5.773) 7.113 6.937 ( -3.406 0.000 1.694) 3.804 6.939 ( -2.155 0.000 2.008) 2.945 7.061 ( 1.941 0.000 -4.215) 4.641 7.067 ( -3.339 0.000 1.041) 3.497 7.233 ( 3.826 0.000 1.910) 4.277 7.278 ( 3.047 0.000 0.547) 3.096 7.413 ( 3.209 0.000 -2.767) 4.237 7.537 ( 5.676 0.000 -4.702) 7.371 7.617 ( -0.262 0.000 8.733) 8.737 7.627 ( -1.565 0.000 2.436) 2.895 7.900 ( -3.979 0.000 -1.725) 4.336 7.935 ( 2.973 0.000 -2.403) 3.823 8.054 ( -8.169 0.000 -2.115) 8.439 8.208 ( -1.648 0.000 -0.977) 1.916 8.258 ( -4.704 0.000 1.395) 4.906 8.261 ( -2.006 0.000 -2.962) 3.578 8.365 ( -4.756 0.000 4.162) 6.320 8.432 ( 1.216 0.000 -0.020) 1.216 8.589 ( 0.472 0.000 -1.861) 1.920 8.672 ( -6.648 0.000 -0.821) 6.699 8.814 ( 3.947 0.000 0.759) 4.019 8.873 ( -0.467 0.000 1.198) 1.286 8.900 ( 5.648 0.000 4.374) 7.144 9.110 ( -2.788 0.000 1.791) 3.313 9.149 ( 8.463 0.000 -4.001) 9.361 9.298 ( -1.322 0.000 -2.643) 2.955 9.428 ( -4.903 0.000 2.075) 5.324 9.436 ( 1.336 0.000 -0.447) 1.409 9.463 ( 2.102 0.000 8.398) 8.657 9.705 ( 1.759 0.000 -3.498) 3.915 9.705 ( -1.779 0.000 1.259) 2.179 9.754 ( 3.511 0.000 -2.004) 4.043 9.891 ( 0.023 0.000 2.591) 2.591 9.893 ( -1.328 0.000 7.598) 7.713 10.082 ( 3.849 0.000 2.921) 4.832 10.200 ( 7.694 0.000 0.052) 7.694 10.274 ( 1.503 0.000 3.505) 3.813 10.424 ( -0.214 0.000 -0.226) 0.311 10.640 ( -4.162 0.000 1.649) 4.476 10.679 ( 1.744 0.000 -2.940) 3.418 10.721 ( 0.483 0.000 0.745) 0.888 10.888 ( 4.543 0.000 -0.570) 4.578 11.034 ( 3.257 0.000 2.975) 4.411 11.056 ( -1.552 0.000 0.707) 1.705 11.188 ( -4.556 0.000 4.124) 6.145 11.252 ( -7.510 0.000 5.258) 9.168 11.874 ( 0.858 0.000 1.111) 1.403 11.947 ( -2.091 0.000 -2.950) 3.616 11.990 ( 1.943 0.000 0.520) 2.012 12.168 ( 2.072 0.000 -2.386) 3.160 12.178 ( -2.758 0.000 -5.174) 5.863 12.259 ( -0.167 0.000 -3.761) 3.765 12.266 ( 0.911 0.000 -4.176) 4.274 12.367 ( -0.806 0.000 -5.150) 5.212 12.376 ( 1.127 0.000 -3.570) 3.743 12.463 ( -2.623 0.000 -5.993) 6.541 12.745 ( 0.146 0.000 5.121) 5.123 12.786 ( -2.573 0.000 4.936) 5.566 12.839 ( -2.297 0.000 0.327) 2.320 12.959 ( 2.984 0.000 -3.712) 4.762 13.033 ( -0.311 0.000 0.159) 0.350 13.033 ( -0.893 0.000 -3.638) 3.746 13.077 ( -9.345 0.000 8.867) 12.882 13.087 ( 1.880 0.000 -0.823) 2.053 13.412 ( -0.851 0.000 0.119) 0.859 13.446 ( 5.308 0.000 1.562) 5.533 13.562 ( 3.743 0.000 -0.146) 3.746 13.626 ( 10.763 0.000 4.032) 11.493 13.699 ( 1.569 0.000 -2.622) 3.056 13.733 ( 4.234 0.000 2.092) 4.723 13.821 ( 2.790 0.000 -4.442) 5.246 13.976 ( -8.223 0.000 1.958) 8.453 14.047 ( -8.164 0.000 -2.091) 8.427 14.248 ( -5.833 0.000 -4.658) 7.464 14.395 ( -1.001 0.000 -3.298) 3.447 14.646 ( 2.454 0.000 2.713) 3.659 14.691 ( -6.948 0.000 -1.690) 7.150 14.830 ( 4.042 0.000 1.642) 4.363 15.112 ( 3.318 0.000 5.915) 6.782 15.214 ( 1.129 0.000 2.656) 2.886 15.390 ( -2.354 0.000 -2.776) 3.640 15.406 ( -2.019 0.000 2.965) 3.587 15.445 ( 2.037 0.000 -0.004) 2.037 15.454 ( -5.793 0.000 0.879) 5.859 15.705 ( -4.911 0.000 -0.234) 4.917 15.747 ( -3.820 0.000 -3.205) 4.987 16.040 ( 2.760 0.000 6.448) 7.014 16.121 ( 0.722 0.000 6.313) 6.355 16.244 ( 0.069 0.000 -3.813) 3.814 16.326 ( -0.571 0.000 -3.020) 3.073 16.653 ( 7.462 0.000 -8.104) 11.016 16.829 ( -2.429 0.000 3.495) 4.256 16.947 ( 5.293 0.000 2.352) 5.792 17.082 ( 4.684 0.000 0.691) 4.735 19.176 ( 1.248 0.000 1.786) 2.179 19.294 ( -2.879 0.000 -0.229) 2.888 19.573 ( -4.286 0.000 3.730) 5.681 19.574 ( 2.440 0.000 0.720) 2.544 20.906 ( 3.231 0.000 -1.939) 3.768 21.024 ( -2.786 0.000 1.781) 3.306 21.168 ( -0.130 0.000 2.333) 2.336 21.189 ( 1.043 0.000 -0.219) 1.066 24.996 ( 0.176 0.000 -1.006) 1.021 24.998 ( -1.502 0.000 0.510) 1.586 25.335 ( 1.515 0.000 -2.807) 3.190 25.524 ( -2.679 0.000 -8.197) 8.624 25.858 ( -0.039 0.000 4.121) 4.121 25.908 ( 1.538 0.000 4.182) 4.455 26.042 ( -0.474 0.000 -2.912) 2.951 26.106 ( -2.260 0.000 -1.195) 2.557 26.503 ( 3.589 0.000 0.686) 3.654 26.607 ( 2.079 0.000 -6.022) 6.371 26.957 ( 2.944 0.000 -4.395) 5.290 27.117 ( -1.674 0.000 -1.397) 2.180 27.323 ( 2.214 0.000 -0.467) 2.262 27.384 ( -0.946 0.000 3.511) 3.637 27.395 ( -0.058 0.000 -2.534) 2.535 27.413 ( -3.781 0.000 2.770) 4.687 27.460 ( -2.131 0.000 -0.009) 2.131 27.557 ( 1.748 0.000 -1.285) 2.169 27.689 ( 9.491 0.000 0.820) 9.526 27.950 ( -4.407 0.000 0.468) 4.432 27.952 ( -0.750 0.000 5.697) 5.746 28.072 ( 4.663 0.000 3.531) 5.849 28.170 ( 3.120 0.000 -0.161) 3.124 28.279 ( -0.994 0.000 -2.078) 2.304 28.389 ( 3.946 0.000 -2.536) 4.690 28.452 ( -3.685 0.000 -1.695) 4.056 28.522 ( -3.902 0.000 -2.828) 4.819 28.710 ( -10.198 0.000 2.574) 10.518 28.752 ( -6.323 0.000 9.964) 11.801 28.964 ( -5.000 0.000 12.474) 13.439 29.087 ( -1.821 0.000 -7.297) 7.521 29.475 ( 3.293 0.000 -14.746) 15.109 29.728 ( 1.598 0.000 3.925) 4.238 29.857 ( -1.056 0.000 -1.773) 2.064 30.109 ( 2.528 0.000 -3.491) 4.311 30.293 ( -8.878 0.000 8.019) 11.964 30.544 ( 2.207 0.000 14.833) 14.996 31.019 ( 9.153 0.000 -11.946) 15.049 31.111 ( -3.289 0.000 6.075) 6.908 31.213 ( 8.914 0.000 -12.153) 15.072 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -9.911 0.000 8.594) 13.118 2.199 ( 5.470 0.000 -5.709) 7.907 2.430 ( 24.129 0.000 15.437) 28.645 2.492 ( -1.490 0.000 7.104) 7.259 2.535 ( 13.432 0.000 -0.795) 13.455 2.613 ( -4.993 0.000 -4.990) 7.059 2.701 ( 11.370 0.000 9.898) 15.075 2.754 ( 11.227 0.000 18.583) 21.711 2.991 ( -9.266 0.000 -13.243) 16.163 3.064 ( 0.939 0.000 -5.247) 5.331 3.299 ( -2.200 0.000 -2.791) 3.554 3.300 ( -4.697 0.000 -4.197) 6.299 3.335 ( 2.812 0.000 13.493) 13.783 3.536 ( 4.716 0.000 -1.206) 4.868 3.661 ( -0.134 0.000 -2.689) 2.692 3.664 ( -9.097 0.000 -4.583) 10.186 3.783 ( -0.472 0.000 3.972) 4.000 3.793 ( 1.061 0.000 3.410) 3.571 3.839 ( 0.023 0.000 4.443) 4.443 3.982 ( -1.492 0.000 -10.142) 10.252 4.127 ( -4.614 0.000 6.894) 8.296 4.152 ( -0.345 0.000 3.081) 3.101 4.240 ( -11.329 0.000 6.017) 12.828 4.272 ( -6.950 0.000 -1.474) 7.105 4.358 ( -18.484 0.000 -2.503) 18.652 4.449 ( 12.576 0.000 5.608) 13.770 4.477 ( -3.158 0.000 -5.816) 6.618 4.491 ( -1.280 0.000 -1.998) 2.373 4.515 ( 7.751 0.000 0.190) 7.754 4.572 ( -4.476 0.000 -2.763) 5.260 4.586 ( 0.522 0.000 -1.474) 1.564 4.698 ( -0.576 0.000 -4.453) 4.490 4.715 ( 12.220 0.000 -7.083) 14.125 4.769 ( -2.047 0.000 -3.759) 4.280 4.914 ( 2.771 0.000 -0.895) 2.912 4.980 ( 4.924 0.000 5.725) 7.551 5.040 ( -2.416 0.000 -5.702) 6.193 5.140 ( -7.935 0.000 8.798) 11.848 5.156 ( -0.714 0.000 -4.706) 4.760 5.295 ( 0.127 0.000 3.339) 3.341 5.346 ( 4.189 0.000 -5.938) 7.267 5.370 ( 5.968 0.000 -9.318) 11.066 5.436 ( 4.697 0.000 6.695) 8.179 5.500 ( 1.289 0.000 1.194) 1.757 5.581 ( -5.442 0.000 -0.016) 5.442 5.646 ( 5.856 0.000 -3.042) 6.599 5.755 ( 0.827 0.000 -1.172) 1.434 5.782 ( 1.096 0.000 -4.479) 4.611 5.791 ( 4.228 0.000 11.018) 11.801 5.957 ( 3.956 0.000 -1.732) 4.319 5.963 ( -3.573 0.000 -3.424) 4.949 5.994 ( -5.370 0.000 -4.911) 7.277 6.009 ( 0.169 0.000 5.106) 5.109 6.149 ( -6.452 0.000 -6.643) 9.260 6.215 ( 1.668 0.000 -1.337) 2.137 6.299 ( 0.998 0.000 -2.654) 2.836 6.458 ( -8.392 0.000 3.540) 9.108 6.525 ( -0.564 0.000 -0.759) 0.946 6.584 ( 2.168 0.000 -4.090) 4.629 6.588 ( -5.510 0.000 -2.970) 6.260 6.786 ( -10.235 0.000 5.789) 11.759 6.875 ( 6.055 0.000 -2.832) 6.685 6.910 ( -2.665 0.000 4.953) 5.624 6.929 ( -0.280 0.000 1.803) 1.824 7.047 ( -0.054 0.000 0.074) 0.091 7.068 ( 1.452 0.000 -1.896) 2.388 7.240 ( -2.914 0.000 2.179) 3.638 7.333 ( 4.555 0.000 -2.144) 5.034 7.552 ( -0.361 0.000 -2.215) 2.244 7.592 ( 11.027 0.000 3.066) 11.445 7.606 ( 2.091 0.000 -4.333) 4.811 7.653 ( -2.768 0.000 -1.460) 3.130 7.826 ( -3.335 0.000 0.327) 3.351 7.852 ( -1.334 0.000 -2.125) 2.509 8.084 ( 6.218 0.000 2.162) 6.583 8.102 ( -6.872 0.000 0.518) 6.891 8.201 ( -3.671 0.000 1.823) 4.098 8.271 ( 4.321 0.000 -4.683) 6.372 8.379 ( -0.069 0.000 4.776) 4.776 8.457 ( 3.139 0.000 -2.897) 4.271 8.589 ( -3.822 0.000 1.405) 4.072 8.600 ( 2.265 0.000 -0.087) 2.267 8.873 ( -1.025 0.000 -0.376) 1.092 8.877 ( 3.229 0.000 -1.391) 3.516 9.040 ( 3.612 0.000 5.296) 6.410 9.079 ( -3.225 0.000 2.558) 4.116 9.210 ( -5.414 0.000 -3.592) 6.497 9.234 ( 5.795 0.000 -4.456) 7.310 9.378 ( -2.688 0.000 3.061) 4.074 9.409 ( -2.228 0.000 -0.327) 2.252 9.573 ( 0.654 0.000 6.989) 7.020 9.662 ( -1.820 0.000 -2.078) 2.762 9.699 ( -0.982 0.000 3.206) 3.353 9.774 ( 2.274 0.000 -4.369) 4.926 9.939 ( 3.082 0.000 1.278) 3.337 9.941 ( 1.714 0.000 1.248) 2.120 10.208 ( 2.580 0.000 4.246) 4.968 10.270 ( 0.399 0.000 -1.748) 1.793 10.348 ( 1.883 0.000 4.457) 4.839 10.398 ( -2.592 0.000 -0.602) 2.661 10.624 ( -0.426 0.000 2.104) 2.147 10.673 ( 1.258 0.000 -3.030) 3.281 10.827 ( 7.062 0.000 6.276) 9.448 10.955 ( -6.940 0.000 -5.617) 8.928 11.008 ( 7.462 0.000 3.956) 8.445 11.075 ( -9.554 0.000 -2.417) 9.855 11.156 ( -6.936 0.000 3.546) 7.790 11.159 ( 6.509 0.000 3.230) 7.266 11.888 ( 0.317 0.000 0.724) 0.791 11.909 ( 0.681 0.000 -1.872) 1.992 12.050 ( 2.577 0.000 1.945) 3.229 12.075 ( -3.995 0.000 -2.060) 4.495 12.194 ( -2.914 0.000 -3.820) 4.804 12.214 ( 1.982 0.000 -4.870) 5.258 12.261 ( 5.528 0.000 1.358) 5.692 12.316 ( -5.879 0.000 -3.992) 7.107 12.328 ( -0.647 0.000 -1.129) 1.301 12.360 ( 0.642 0.000 -4.581) 4.626 12.762 ( -2.559 0.000 3.746) 4.537 12.771 ( -4.060 0.000 6.078) 7.310 12.865 ( 4.790 0.000 -2.002) 5.192 12.925 ( -0.514 0.000 -5.107) 5.133 12.999 ( -2.509 0.000 1.282) 2.818 13.034 ( 3.552 0.000 -2.867) 4.565 13.050 ( -5.326 0.000 7.583) 9.267 13.148 ( 5.558 0.000 -1.744) 5.825 13.403 ( -3.037 0.000 4.344) 5.300 13.535 ( 6.722 0.000 -4.257) 7.956 13.599 ( -1.470 0.000 3.112) 3.442 13.669 ( -0.424 0.000 -3.894) 3.917 13.775 ( -5.510 0.000 -3.749) 6.665 13.805 ( 4.189 0.000 -2.976) 5.138 13.885 ( -3.361 0.000 5.942) 6.827 13.922 ( 10.197 0.000 3.545) 10.796 13.975 ( -0.134 0.000 5.543) 5.545 14.111 ( -1.734 0.000 -7.839) 8.028 14.375 ( 3.128 0.000 -1.148) 3.332 14.435 ( -7.401 0.000 -5.821) 9.416 14.807 ( 2.866 0.000 4.274) 5.146 14.861 ( -1.276 0.000 -1.143) 1.713 15.238 ( 3.129 0.000 7.002) 7.669 15.250 ( -2.684 0.000 4.456) 5.202 15.331 ( 0.270 0.000 -3.454) 3.465 15.336 ( -3.640 0.000 -2.803) 4.595 15.411 ( -1.189 0.000 3.170) 3.386 15.478 ( 3.043 0.000 -2.117) 3.707 15.626 ( -3.744 0.000 0.270) 3.753 15.697 ( 2.898 0.000 -4.800) 5.607 16.129 ( 0.470 0.000 5.644) 5.664 16.182 ( -3.481 0.000 -0.842) 3.582 16.207 ( 0.580 0.000 6.772) 6.797 16.307 ( 1.704 0.000 -4.677) 4.978 16.710 ( 5.591 0.000 -2.118) 5.979 16.743 ( -6.425 0.000 -2.741) 6.985 17.057 ( 2.588 0.000 3.481) 4.337 17.112 ( -0.676 0.000 -1.862) 1.981 19.217 ( 1.806 0.000 1.620) 2.426 19.240 ( -2.227 0.000 -0.944) 2.419 19.549 ( -2.637 0.000 3.970) 4.767 19.608 ( 2.312 0.000 -1.441) 2.724 20.967 ( -4.127 0.000 -0.088) 4.128 20.967 ( 4.708 0.000 -0.340) 4.720 21.189 ( -0.811 0.000 2.438) 2.569 21.211 ( 0.559 0.000 0.102) 0.568 24.982 ( -0.584 0.000 0.174) 0.609 24.984 ( -0.448 0.000 -0.436) 0.625 25.346 ( 1.451 0.000 -0.132) 1.457 25.400 ( -3.091 0.000 -5.869) 6.633 25.906 ( 0.282 0.000 4.715) 4.723 25.969 ( 0.845 0.000 1.951) 2.126 26.010 ( 0.430 0.000 -1.417) 1.481 26.054 ( -1.606 0.000 -2.469) 2.945 26.550 ( 1.353 0.000 -0.006) 1.353 26.591 ( 2.007 0.000 -4.657) 5.071 27.001 ( 5.234 0.000 -1.209) 5.372 27.017 ( -6.150 0.000 -2.878) 6.790 27.356 ( -3.733 0.000 1.976) 4.224 27.363 ( 1.662 0.000 1.311) 2.116 27.389 ( -2.477 0.000 -0.231) 2.488 27.398 ( 1.910 0.000 -1.593) 2.487 27.431 ( -3.509 0.000 5.736) 6.725 27.543 ( 1.596 0.000 -3.927) 4.239 27.818 ( -8.518 0.000 -0.247) 8.522 27.837 ( 7.647 0.000 -0.519) 7.664 28.018 ( 1.138 0.000 5.821) 5.931 28.106 ( -0.161 0.000 -3.176) 3.180 28.289 ( 1.581 0.000 1.812) 2.405 28.297 ( 0.982 0.000 3.699) 3.827 28.395 ( -1.899 0.000 -1.255) 2.276 28.431 ( 3.841 0.000 -2.900) 4.813 28.506 ( 7.580 0.000 1.943) 7.825 28.540 ( -10.199 0.000 -1.362) 10.290 28.809 ( 0.195 0.000 9.213) 9.215 28.980 ( -1.351 0.000 -5.828) 5.983 29.055 ( 0.196 0.000 11.506) 11.508 29.356 ( 2.175 0.000 -16.705) 16.846 29.778 ( -0.426 0.000 3.740) 3.764 29.831 ( -0.009 0.000 -1.803) 1.803 30.186 ( -9.539 0.000 3.232) 10.072 30.208 ( 9.988 0.000 0.627) 10.007 30.707 ( -1.299 0.000 15.194) 15.250 30.985 ( 1.833 0.000 -13.227) 13.353 31.064 ( -8.646 0.000 6.091) 10.577 31.252 ( 9.389 0.000 -11.820) 15.095 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -25.794 0.000 13.488) 29.108 2.017 ( -32.257 0.000 -13.541) 34.984 2.214 ( -5.321 0.000 -19.372) 20.090 2.544 ( 1.827 0.000 -12.004) 12.143 2.636 ( -11.018 0.000 -12.839) 16.918 2.701 ( 8.812 0.000 -4.269) 9.792 2.706 ( 2.626 0.000 -13.820) 14.067 2.818 ( 15.047 0.000 -8.564) 17.313 3.026 ( -1.902 0.000 7.152) 7.401 3.239 ( 15.661 0.000 5.074) 16.463 3.274 ( -15.187 0.000 -0.130) 15.188 3.300 ( 2.941 0.000 0.531) 2.988 3.396 ( 2.373 0.000 -4.826) 5.378 3.418 ( -5.779 0.000 3.225) 6.618 3.536 ( -12.773 0.000 4.570) 13.566 3.666 ( -8.923 0.000 3.246) 9.495 3.682 ( -16.455 0.000 3.180) 16.760 3.793 ( 4.526 0.000 1.068) 4.650 3.823 ( -18.509 0.000 -0.609) 18.519 3.827 ( -2.203 0.000 0.584) 2.279 3.864 ( -1.338 0.000 9.111) 9.209 4.154 ( 1.267 0.000 4.881) 5.043 4.215 ( -0.718 0.000 9.089) 9.117 4.271 ( -0.241 0.000 1.495) 1.514 4.329 ( 0.415 0.000 7.830) 7.841 4.365 ( -5.351 0.000 -4.371) 6.909 4.407 ( -0.467 0.000 2.911) 2.949 4.546 ( 4.672 0.000 -8.474) 9.677 4.575 ( 0.881 0.000 9.032) 9.075 4.640 ( 1.983 0.000 4.367) 4.796 4.666 ( 2.164 0.000 -2.792) 3.533 4.672 ( -1.527 0.000 -5.546) 5.752 4.752 ( 7.050 0.000 1.728) 7.258 4.915 ( 4.771 0.000 -0.573) 4.806 4.963 ( 2.009 0.000 6.059) 6.383 5.036 ( 6.888 0.000 2.414) 7.299 5.144 ( 9.595 0.000 -10.331) 14.100 5.148 ( 11.076 0.000 2.206) 11.293 5.220 ( 5.028 0.000 0.698) 5.077 5.287 ( -1.729 0.000 -4.953) 5.247 5.302 ( 0.029 0.000 3.285) 3.285 5.404 ( 1.680 0.000 -7.625) 7.808 5.453 ( 3.908 0.000 -6.691) 7.748 5.482 ( -1.690 0.000 0.225) 1.704 5.640 ( 3.223 0.000 -2.584) 4.131 5.717 ( 5.272 0.000 -3.667) 6.422 5.747 ( 0.421 0.000 -3.149) 3.177 5.777 ( 5.193 0.000 -1.563) 5.423 5.801 ( -4.688 0.000 -6.585) 8.083 5.874 ( -1.953 0.000 2.557) 3.217 5.940 ( -3.914 0.000 -0.507) 3.946 6.040 ( -0.464 0.000 -0.047) 0.466 6.079 ( 9.126 0.000 6.788) 11.374 6.144 ( 8.130 0.000 13.986) 16.177 6.248 ( -0.651 0.000 -7.268) 7.297 6.263 ( -0.097 0.000 1.751) 1.753 6.467 ( -2.672 0.000 4.311) 5.071 6.513 ( 0.968 0.000 7.806) 7.866 6.550 ( -0.293 0.000 8.425) 8.430 6.593 ( -4.908 0.000 4.517) 6.670 6.750 ( 3.589 0.000 0.747) 3.666 6.896 ( -3.850 0.000 4.069) 5.602 6.941 ( 0.837 0.000 3.575) 3.672 6.966 ( 3.092 0.000 -4.997) 5.876 7.059 ( 1.829 0.000 -0.214) 1.842 7.079 ( 2.352 0.000 -0.194) 2.360 7.238 ( 0.761 0.000 2.142) 2.273 7.361 ( -6.276 0.000 2.329) 6.694 7.424 ( 2.472 0.000 -13.872) 14.091 7.537 ( -2.509 0.000 -3.914) 4.649 7.650 ( 4.642 0.000 -1.453) 4.864 7.725 ( -0.917 0.000 -1.421) 1.691 7.871 ( 1.263 0.000 2.134) 2.480 7.880 ( 6.746 0.000 1.049) 6.827 8.015 ( -1.745 0.000 1.701) 2.437 8.151 ( -3.447 0.000 1.929) 3.950 8.238 ( 8.051 0.000 1.576) 8.204 8.308 ( 4.964 0.000 -3.372) 6.001 8.419 ( 0.885 0.000 1.378) 1.638 8.479 ( 4.518 0.000 -5.773) 7.331 8.565 ( -0.881 0.000 1.355) 1.617 8.663 ( 4.223 0.000 0.748) 4.289 8.830 ( -1.468 0.000 -2.169) 2.619 8.898 ( 0.970 0.000 -1.107) 1.472 9.027 ( -3.429 0.000 -5.938) 6.857 9.068 ( -7.539 0.000 2.658) 7.994 9.103 ( -0.612 0.000 2.618) 2.688 9.244 ( -2.285 0.000 1.558) 2.766 9.388 ( -1.583 0.000 2.788) 3.206 9.401 ( 0.548 0.000 2.659) 2.715 9.616 ( -1.784 0.000 -2.112) 2.765 9.618 ( -2.965 0.000 4.787) 5.631 9.739 ( 3.818 0.000 0.779) 3.897 9.757 ( 2.285 0.000 -5.575) 6.025 9.959 ( 1.360 0.000 -3.193) 3.471 10.011 ( 5.849 0.000 -3.165) 6.651 10.181 ( -4.510 0.000 -6.593) 7.988 10.196 ( -6.856 0.000 0.756) 6.897 10.334 ( -3.060 0.000 -2.317) 3.838 10.400 ( -0.487 0.000 2.648) 2.693 10.635 ( -0.920 0.000 1.636) 1.877 10.679 ( 2.951 0.000 -2.104) 3.625 10.779 ( -4.997 0.000 -5.135) 7.165 10.903 ( -6.932 0.000 -1.732) 7.145 11.023 ( 6.964 0.000 4.712) 8.409 11.060 ( -6.315 0.000 0.526) 6.337 11.189 ( 7.209 0.000 3.589) 8.053 11.301 ( 7.315 0.000 2.040) 7.594 11.909 ( 1.659 0.000 0.419) 1.711 11.911 ( 0.876 0.000 -2.652) 2.793 11.992 ( -3.360 0.000 -0.047) 3.361 12.069 ( -5.626 0.000 4.643) 7.294 12.133 ( 1.347 0.000 -1.195) 1.800 12.207 ( -0.176 0.000 0.342) 0.385 12.223 ( -1.002 0.000 0.313) 1.049 12.315 ( -0.865 0.000 2.187) 2.351 12.339 ( 0.400 0.000 -2.133) 2.170 12.397 ( 5.674 0.000 1.696) 5.922 12.761 ( -1.709 0.000 3.701) 4.076 12.776 ( -2.134 0.000 3.769) 4.331 12.891 ( 3.105 0.000 -2.808) 4.187 12.907 ( 0.033 0.000 0.626) 0.627 12.993 ( 0.741 0.000 0.392) 0.838 13.038 ( -2.206 0.000 4.363) 4.889 13.059 ( 2.795 0.000 -4.145) 4.999 13.222 ( 5.311 0.000 -3.202) 6.201 13.383 ( -4.864 0.000 4.947) 6.938 13.526 ( -2.666 0.000 -8.741) 9.139 13.592 ( -4.979 0.000 -2.817) 5.720 13.592 ( -1.184 0.000 1.789) 2.146 13.691 ( -1.219 0.000 4.820) 4.972 13.770 ( -4.082 0.000 -2.479) 4.776 13.772 ( -7.979 0.000 -2.330) 8.312 14.049 ( 8.426 0.000 -6.202) 10.463 14.106 ( 5.841 0.000 -3.887) 7.017 14.141 ( 8.060 0.000 5.747) 9.899 14.367 ( 2.394 0.000 -0.368) 2.422 14.537 ( 10.805 0.000 7.362) 13.075 14.767 ( -5.446 0.000 -4.366) 6.980 14.832 ( -3.128 0.000 1.353) 3.408 15.179 ( -5.448 0.000 0.352) 5.460 15.248 ( -2.487 0.000 -0.231) 2.498 15.342 ( 2.496 0.000 0.922) 2.661 15.421 ( -0.817 0.000 2.028) 2.186 15.428 ( 6.521 0.000 1.506) 6.693 15.515 ( 5.968 0.000 -5.323) 7.997 15.609 ( -1.136 0.000 7.500) 7.586 15.743 ( 7.032 0.000 -3.850) 8.017 16.117 ( -3.601 0.000 -0.505) 3.637 16.167 ( -2.129 0.000 5.024) 5.456 16.266 ( -0.046 0.000 -6.723) 6.723 16.276 ( 2.107 0.000 3.426) 4.022 16.590 ( -7.543 0.000 -2.275) 7.879 16.802 ( 3.449 0.000 4.533) 5.697 17.025 ( -5.330 0.000 -4.734) 7.129 17.079 ( -2.997 0.000 1.079) 3.186 19.204 ( -0.897 0.000 -1.076) 1.401 19.277 ( 3.382 0.000 1.597) 3.740 19.560 ( -0.797 0.000 2.995) 3.099 19.638 ( 3.633 0.000 -2.522) 4.423 20.893 ( -3.812 0.000 -0.589) 3.857 21.046 ( 4.507 0.000 -0.474) 4.532 21.176 ( -2.885 0.000 1.438) 3.223 21.200 ( -1.116 0.000 -0.986) 1.489 24.980 ( -0.349 0.000 0.785) 0.859 24.986 ( 0.557 0.000 1.494) 1.594 25.309 ( -3.145 0.000 -1.281) 3.396 25.383 ( 0.440 0.000 4.473) 4.495 25.946 ( 0.067 0.000 -4.433) 4.434 25.956 ( 0.114 0.000 3.717) 3.719 26.001 ( -1.209 0.000 -2.901) 3.143 26.059 ( 1.918 0.000 3.648) 4.122 26.551 ( -0.878 0.000 -0.185) 0.898 26.569 ( 0.969 0.000 -5.874) 5.953 26.902 ( -4.691 0.000 0.576) 4.726 27.089 ( 3.883 0.000 1.255) 4.081 27.306 ( -3.941 0.000 2.005) 4.422 27.348 ( -1.994 0.000 1.269) 2.364 27.384 ( -1.660 0.000 2.138) 2.707 27.430 ( 2.930 0.000 -0.042) 2.930 27.455 ( -1.135 0.000 6.894) 6.987 27.530 ( 0.535 0.000 -3.454) 3.495 27.684 ( -6.686 0.000 -0.300) 6.693 27.949 ( 5.270 0.000 0.834) 5.336 28.060 ( 0.261 0.000 -4.809) 4.816 28.092 ( 1.481 0.000 3.184) 3.512 28.236 ( -9.318 0.000 -5.195) 10.668 28.292 ( 0.441 0.000 -1.930) 1.980 28.337 ( -4.478 0.000 1.395) 4.690 28.428 ( 0.231 0.000 1.312) 1.333 28.483 ( 5.437 0.000 -0.811) 5.497 28.728 ( 12.140 0.000 1.003) 12.182 28.922 ( 2.556 0.000 -6.432) 6.921 28.925 ( 3.036 0.000 8.795) 9.304 29.193 ( 1.012 0.000 12.227) 12.269 29.241 ( 3.602 0.000 -15.366) 15.782 29.807 ( -0.085 0.000 3.568) 3.569 29.812 ( 0.057 0.000 -3.176) 3.177 30.064 ( -6.088 0.000 1.181) 6.201 30.406 ( 12.139 0.000 -2.397) 12.374 30.778 ( -7.273 0.000 12.380) 14.359 30.831 ( -3.581 0.000 -13.929) 14.382 30.976 ( -9.595 0.000 10.221) 14.019 31.278 ( 6.395 0.000 -11.147) 12.851 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -36.922 0.000 -8.097) 37.800 1.503 ( -28.620 0.000 21.787) 35.969 2.050 ( 3.590 0.000 -18.466) 18.812 2.266 ( -6.519 0.000 -2.888) 7.130 2.516 ( -1.794 0.000 -14.893) 15.001 2.527 ( 8.107 0.000 -23.602) 24.956 2.794 ( 9.579 0.000 -6.413) 11.528 2.807 ( -40.021 0.000 28.524) 49.145 3.017 ( -3.189 0.000 1.222) 3.415 3.046 ( 8.417 0.000 -4.266) 9.437 3.212 ( -5.380 0.000 -9.334) 10.773 3.278 ( -4.944 0.000 -1.661) 5.215 3.349 ( -4.134 0.000 2.685) 4.929 3.438 ( 2.395 0.000 5.484) 5.984 3.493 ( -2.161 0.000 -0.580) 2.238 3.553 ( -4.106 0.000 4.368) 5.995 3.639 ( 2.614 0.000 7.209) 7.668 3.672 ( -0.390 0.000 3.548) 3.570 3.798 ( -1.866 0.000 -2.853) 3.409 3.918 ( 3.252 0.000 4.039) 5.186 3.951 ( -0.385 0.000 7.873) 7.882 4.164 ( -5.125 0.000 -3.016) 5.947 4.189 ( -4.236 0.000 -1.634) 4.541 4.223 ( -3.057 0.000 2.694) 4.075 4.361 ( 3.476 0.000 -0.473) 3.508 4.362 ( 0.974 0.000 3.805) 3.928 4.511 ( 0.684 0.000 -10.024) 10.047 4.568 ( 2.240 0.000 2.692) 3.502 4.604 ( 2.394 0.000 6.709) 7.123 4.638 ( -1.315 0.000 3.342) 3.591 4.714 ( 2.425 0.000 5.219) 5.755 4.779 ( 5.166 0.000 4.968) 7.167 4.821 ( 2.601 0.000 0.505) 2.649 4.929 ( -0.904 0.000 3.075) 3.205 5.084 ( 1.914 0.000 -7.371) 7.615 5.099 ( -0.078 0.000 3.186) 3.187 5.209 ( -1.770 0.000 -11.621) 11.755 5.223 ( 2.193 0.000 -12.082) 12.279 5.228 ( -1.708 0.000 3.172) 3.603 5.283 ( 5.258 0.000 -5.578) 7.666 5.311 ( 9.362 0.000 -0.751) 9.392 5.368 ( -2.892 0.000 3.142) 4.270 5.497 ( 6.133 0.000 1.392) 6.289 5.516 ( 2.905 0.000 -4.546) 5.395 5.610 ( 4.943 0.000 -2.073) 5.360 5.701 ( -2.265 0.000 -4.775) 5.284 5.718 ( 0.094 0.000 -2.848) 2.850 5.807 ( 3.413 0.000 2.731) 4.371 5.808 ( -6.199 0.000 -0.599) 6.228 5.894 ( 5.342 0.000 -3.496) 6.384 5.966 ( 7.317 0.000 0.523) 7.336 6.114 ( 3.944 0.000 7.160) 8.174 6.179 ( 1.798 0.000 -4.891) 5.211 6.233 ( -1.014 0.000 -2.181) 2.405 6.257 ( 4.648 0.000 2.402) 5.232 6.430 ( 8.889 0.000 9.063) 12.694 6.445 ( -1.629 0.000 -0.728) 1.784 6.557 ( -5.459 0.000 7.547) 9.315 6.627 ( -4.554 0.000 13.186) 13.951 6.701 ( 3.063 0.000 13.295) 13.643 6.792 ( 1.202 0.000 -2.750) 3.001 6.842 ( -6.362 0.000 2.499) 6.835 6.918 ( -2.995 0.000 0.172) 3.000 6.978 ( 1.297 0.000 -1.512) 1.992 7.085 ( 2.031 0.000 -3.117) 3.721 7.184 ( 8.087 0.000 -0.038) 8.087 7.202 ( -3.808 0.000 -6.909) 7.889 7.285 ( 2.758 0.000 -0.660) 2.835 7.412 ( 1.517 0.000 -2.181) 2.657 7.449 ( -2.411 0.000 -3.721) 4.434 7.693 ( 0.330 0.000 -2.859) 2.878 7.700 ( 2.187 0.000 -3.334) 3.988 7.865 ( -2.200 0.000 -0.089) 2.202 7.936 ( 2.386 0.000 4.105) 4.748 8.108 ( -3.737 0.000 2.219) 4.346 8.143 ( 5.377 0.000 5.999) 8.056 8.364 ( 4.261 0.000 -2.800) 5.099 8.374 ( 3.906 0.000 1.663) 4.245 8.453 ( 3.518 0.000 0.174) 3.522 8.492 ( 3.937 0.000 -6.101) 7.261 8.598 ( 5.256 0.000 -0.317) 5.265 8.752 ( 2.640 0.000 4.245) 4.999 8.822 ( 3.729 0.000 -2.685) 4.595 8.902 ( 1.368 0.000 -0.645) 1.512 8.908 ( 2.153 0.000 -7.542) 7.843 8.991 ( -5.608 0.000 1.753) 5.875 9.085 ( -5.072 0.000 3.175) 5.984 9.209 ( -6.700 0.000 7.533) 10.081 9.395 ( -2.697 0.000 4.021) 4.842 9.399 ( -3.231 0.000 1.068) 3.403 9.543 ( -1.807 0.000 -4.391) 4.748 9.593 ( -2.092 0.000 0.937) 2.292 9.763 ( 3.365 0.000 -4.218) 5.396 9.798 ( 3.853 0.000 -7.599) 8.520 9.923 ( -1.687 0.000 -4.036) 4.375 9.935 ( -5.888 0.000 -10.074) 11.669 10.053 ( -7.591 0.000 0.674) 7.621 10.174 ( 8.837 0.000 -2.380) 9.152 10.269 ( -0.341 0.000 -0.462) 0.574 10.400 ( -1.198 0.000 2.101) 2.419 10.625 ( -1.751 0.000 1.701) 2.441 10.687 ( -0.889 0.000 -0.968) 1.314 10.755 ( 3.875 0.000 2.025) 4.372 10.822 ( -1.437 0.000 0.393) 1.490 10.979 ( -3.781 0.000 1.898) 4.231 11.110 ( 2.586 0.000 -2.865) 3.860 11.281 ( 2.674 0.000 -2.393) 3.588 11.384 ( 1.054 0.000 -5.048) 5.157 11.857 ( -2.753 0.000 -1.571) 3.170 11.964 ( 2.924 0.000 2.803) 4.051 12.002 ( 3.323 0.000 -0.352) 3.342 12.090 ( 1.486 0.000 10.148) 10.257 12.199 ( 2.966 0.000 3.932) 4.925 12.212 ( -1.337 0.000 3.989) 4.207 12.227 ( -0.345 0.000 1.379) 1.422 12.334 ( -0.432 0.000 2.401) 2.439 12.349 ( 1.663 0.000 2.164) 2.729 12.438 ( -1.767 0.000 0.372) 1.806 12.742 ( -2.718 0.000 -1.692) 3.202 12.778 ( 0.456 0.000 2.192) 2.239 12.884 ( -3.609 0.000 1.106) 3.775 12.991 ( 7.794 0.000 0.372) 7.803 13.020 ( 0.869 0.000 2.458) 2.607 13.034 ( -1.315 0.000 -3.152) 3.415 13.094 ( 4.143 0.000 4.432) 6.066 13.216 ( -4.851 0.000 -3.179) 5.800 13.337 ( -5.420 0.000 3.537) 6.472 13.393 ( -1.680 0.000 -2.312) 2.858 13.455 ( -7.565 0.000 -0.962) 7.626 13.604 ( 3.696 0.000 -4.023) 5.464 13.653 ( -1.005 0.000 -2.172) 2.393 13.673 ( -4.450 0.000 -1.017) 4.565 13.777 ( 4.178 0.000 3.798) 5.646 14.139 ( 5.691 0.000 -3.332) 6.595 14.191 ( 8.149 0.000 -0.949) 8.204 14.311 ( 4.519 0.000 4.679) 6.505 14.447 ( 5.666 0.000 -0.609) 5.699 14.569 ( -7.327 0.000 -5.794) 9.342 14.753 ( -4.513 0.000 -1.025) 4.628 14.831 ( 10.358 0.000 5.025) 11.512 15.092 ( -3.659 0.000 -2.770) 4.589 15.211 ( -0.865 0.000 -0.923) 1.265 15.389 ( 0.199 0.000 1.517) 1.530 15.434 ( 1.265 0.000 1.486) 1.952 15.491 ( 3.422 0.000 -3.815) 5.124 15.526 ( -0.017 0.000 -2.356) 2.356 15.777 ( 6.442 0.000 10.335) 12.178 15.834 ( 7.521 0.000 -3.796) 8.425 16.039 ( -2.286 0.000 -4.301) 4.871 16.169 ( -2.608 0.000 3.897) 4.689 16.192 ( 1.226 0.000 -7.836) 7.931 16.355 ( 3.876 0.000 1.675) 4.222 16.461 ( -7.766 0.000 2.640) 8.202 16.843 ( -8.535 0.000 -1.722) 8.707 16.905 ( 2.721 0.000 -2.449) 3.661 16.981 ( -8.029 0.000 -0.817) 8.071 19.183 ( 0.195 0.000 -2.273) 2.282 19.349 ( 2.966 0.000 -0.943) 3.113 19.538 ( -3.463 0.000 -2.275) 4.144 19.676 ( 3.444 0.000 -2.813) 4.447 20.845 ( -1.731 0.000 1.878) 2.554 21.063 ( -2.007 0.000 -2.834) 3.472 21.167 ( 1.139 0.000 2.797) 3.020 21.174 ( -0.261 0.000 0.389) 0.468 24.978 ( -0.949 0.000 0.802) 1.243 25.040 ( 3.826 0.000 0.920) 3.935 25.273 ( -2.057 0.000 3.232) 3.831 25.465 ( 0.808 0.000 10.489) 10.520 25.908 ( 0.997 0.000 -4.462) 4.572 25.918 ( -2.049 0.000 -4.490) 4.936 26.017 ( 0.578 0.000 4.049) 4.090 26.126 ( 1.854 0.000 2.961) 3.494 26.478 ( -4.013 0.000 -8.003) 8.953 26.539 ( -1.335 0.000 2.858) 3.155 26.883 ( -0.695 0.000 4.005) 4.065 27.109 ( -2.278 0.000 0.073) 2.280 27.275 ( -1.692 0.000 0.149) 1.698 27.335 ( -7.628 0.000 2.979) 8.189 27.386 ( 2.185 0.000 4.864) 5.332 27.461 ( -2.037 0.000 -2.711) 3.391 27.511 ( 3.052 0.000 -0.433) 3.082 27.513 ( 0.366 0.000 3.316) 3.336 27.584 ( -1.937 0.000 -3.057) 3.619 27.964 ( -5.621 0.000 -3.758) 6.761 28.034 ( 2.380 0.000 -5.341) 5.847 28.043 ( 0.831 0.000 1.733) 1.922 28.139 ( -1.113 0.000 -0.100) 1.117 28.271 ( -2.874 0.000 3.141) 4.257 28.326 ( 2.257 0.000 0.312) 2.278 28.487 ( 3.132 0.000 2.832) 4.222 28.590 ( 6.408 0.000 1.219) 6.523 28.905 ( 9.182 0.000 -1.013) 9.238 28.972 ( 9.862 0.000 -2.435) 10.159 29.074 ( 4.703 0.000 5.484) 7.224 29.181 ( 5.351 0.000 -11.765) 12.925 29.316 ( 0.099 0.000 10.309) 10.309 29.737 ( -3.271 0.000 -7.526) 8.206 29.851 ( 0.901 0.000 3.872) 3.975 30.034 ( -1.392 0.000 5.435) 5.611 30.481 ( -0.018 0.000 -7.332) 7.332 30.606 ( -5.970 0.000 -12.726) 14.057 30.756 ( -5.042 0.000 9.106) 10.408 30.950 ( -7.261 0.000 11.418) 13.531 31.222 ( -0.311 0.000 -11.507) 11.511 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 10.936 0.000 44.407) 45.734 1.299 ( -23.333 0.000 28.950) 37.182 1.952 ( 7.913 0.000 -21.350) 22.769 2.371 ( 6.351 0.000 15.855) 17.080 2.413 ( -29.627 0.000 39.005) 48.981 2.451 ( 15.366 0.000 -27.173) 31.217 2.527 ( -1.555 0.000 5.351) 5.572 2.917 ( 9.165 0.000 -2.080) 9.398 2.989 ( -0.573 0.000 0.714) 0.915 3.054 ( -2.064 0.000 -7.359) 7.643 3.189 ( 6.193 0.000 8.118) 10.210 3.277 ( -0.130 0.000 5.030) 5.031 3.311 ( -3.291 0.000 4.734) 5.765 3.407 ( -2.722 0.000 0.406) 2.752 3.547 ( 5.132 0.000 2.931) 5.910 3.609 ( 1.323 0.000 0.167) 1.334 3.686 ( -4.149 0.000 -7.463) 8.539 3.762 ( 4.632 0.000 4.108) 6.192 3.768 ( 2.683 0.000 6.583) 7.109 3.937 ( -8.640 0.000 -3.219) 9.220 4.008 ( 3.244 0.000 2.378) 4.022 4.045 ( 1.587 0.000 0.845) 1.798 4.166 ( 4.533 0.000 0.107) 4.534 4.237 ( 0.231 0.000 3.065) 3.074 4.276 ( -10.301 0.000 -8.410) 13.298 4.340 ( -3.698 0.000 -6.850) 7.784 4.417 ( -1.344 0.000 -2.297) 2.661 4.616 ( 1.955 0.000 0.351) 1.986 4.642 ( 2.472 0.000 -5.182) 5.741 4.730 ( -2.378 0.000 9.444) 9.739 4.784 ( 1.041 0.000 -0.612) 1.208 4.786 ( -2.841 0.000 -6.316) 6.926 4.853 ( -2.380 0.000 2.423) 3.396 4.946 ( -1.003 0.000 1.746) 2.014 5.027 ( 4.274 0.000 -1.238) 4.449 5.029 ( -2.386 0.000 -2.466) 3.431 5.155 ( 7.000 0.000 -8.108) 10.711 5.184 ( -1.893 0.000 -2.436) 3.085 5.212 ( 5.037 0.000 -6.735) 8.410 5.293 ( -5.663 0.000 1.994) 6.004 5.362 ( 3.302 0.000 3.265) 4.643 5.420 ( 4.662 0.000 -4.580) 6.535 5.471 ( -1.557 0.000 -1.305) 2.031 5.536 ( -12.625 0.000 -1.130) 12.675 5.642 ( 5.394 0.000 -3.567) 6.467 5.669 ( -3.801 0.000 0.299) 3.813 5.670 ( 4.186 0.000 -4.556) 6.187 5.709 ( -1.988 0.000 -2.258) 3.009 5.892 ( 2.471 0.000 2.418) 3.457 5.923 ( 1.921 0.000 -3.122) 3.666 6.055 ( 4.651 0.000 -5.096) 6.900 6.178 ( 0.149 0.000 -6.279) 6.280 6.212 ( 0.310 0.000 -1.112) 1.155 6.242 ( -4.993 0.000 0.180) 4.997 6.280 ( 2.386 0.000 4.108) 4.751 6.438 ( 6.803 0.000 -1.272) 6.921 6.508 ( -9.466 0.000 0.212) 9.469 6.576 ( -4.181 0.000 3.966) 5.762 6.657 ( -7.436 0.000 -0.571) 7.458 6.662 ( 5.833 0.000 3.347) 6.725 6.808 ( 1.841 0.000 4.420) 4.788 6.885 ( -1.798 0.000 10.597) 10.749 6.914 ( 1.704 0.000 1.556) 2.307 6.948 ( -1.129 0.000 -3.286) 3.475 7.054 ( -0.220 0.000 -1.291) 1.309 7.167 ( 0.164 0.000 3.985) 3.989 7.220 ( 2.684 0.000 -7.810) 8.258 7.388 ( 3.566 0.000 3.625) 5.085 7.403 ( 3.092 0.000 -2.917) 4.251 7.442 ( 2.290 0.000 1.839) 2.937 7.647 ( -5.226 0.000 -0.946) 5.311 7.656 ( 0.973 0.000 -7.435) 7.499 7.881 ( 2.038 0.000 1.739) 2.679 7.975 ( -2.614 0.000 1.633) 3.082 8.071 ( -0.608 0.000 -1.019) 1.186 8.230 ( -3.283 0.000 6.811) 7.561 8.367 ( -0.244 0.000 -3.182) 3.191 8.439 ( 5.524 0.000 -2.137) 5.923 8.514 ( 5.369 0.000 -4.978) 7.322 8.518 ( 0.953 0.000 2.613) 2.782 8.712 ( 6.165 0.000 -1.036) 6.251 8.777 ( 1.780 0.000 -1.455) 2.299 8.883 ( -6.021 0.000 1.177) 6.135 8.918 ( 8.815 0.000 -1.231) 8.901 8.940 ( -1.018 0.000 -2.564) 2.758 9.026 ( 0.101 0.000 5.267) 5.268 9.035 ( 7.733 0.000 2.125) 8.019 9.178 ( -6.454 0.000 8.482) 10.658 9.350 ( -1.354 0.000 0.040) 1.354 9.371 ( -2.024 0.000 2.917) 3.551 9.510 ( 0.900 0.000 -1.448) 1.705 9.578 ( 0.920 0.000 -2.055) 2.252 9.631 ( -9.067 0.000 -5.048) 10.378 9.754 ( 0.178 0.000 -2.334) 2.341 9.832 ( -4.325 0.000 -2.855) 5.183 9.855 ( 1.114 0.000 -3.198) 3.387 9.996 ( -0.418 0.000 0.008) 0.418 10.170 ( -1.058 0.000 -4.663) 4.781 10.416 ( 5.937 0.000 1.962) 6.253 10.424 ( 0.842 0.000 2.769) 2.894 10.677 ( 10.619 0.000 0.624) 10.637 10.697 ( -0.156 0.000 4.893) 4.895 10.828 ( 1.320 0.000 3.884) 4.102 10.891 ( 5.545 0.000 4.085) 6.887 10.978 ( -1.474 0.000 6.250) 6.421 11.084 ( -0.127 0.000 -6.026) 6.028 11.234 ( -2.526 0.000 -4.801) 5.425 11.292 ( -1.954 0.000 -7.572) 7.820 11.830 ( 0.309 0.000 1.251) 1.289 12.059 ( 3.543 0.000 3.099) 4.706 12.068 ( 4.687 0.000 -0.543) 4.718 12.114 ( -1.541 0.000 -2.975) 3.350 12.230 ( -3.337 0.000 0.478) 3.372 12.248 ( 0.451 0.000 4.586) 4.608 12.302 ( 2.260 0.000 3.441) 4.117 12.331 ( -0.577 0.000 -1.739) 1.832 12.382 ( -5.706 0.000 3.506) 6.697 12.486 ( 7.700 0.000 4.246) 8.793 12.701 ( 2.234 0.000 -2.142) 3.095 12.818 ( 0.765 0.000 2.667) 2.774 12.820 ( -3.975 0.000 0.652) 4.028 12.953 ( -1.955 0.000 -4.822) 5.203 13.037 ( -9.692 0.000 -1.358) 9.786 13.053 ( -0.148 0.000 1.135) 1.144 13.112 ( 4.463 0.000 0.033) 4.464 13.218 ( -1.495 0.000 2.433) 2.855 13.309 ( -0.042 0.000 5.679) 5.679 13.390 ( 1.017 0.000 8.925) 8.983 13.420 ( 2.312 0.000 1.581) 2.801 13.607 ( 6.210 0.000 -10.163) 11.911 13.610 ( -2.575 0.000 0.710) 2.671 13.698 ( 4.646 0.000 0.520) 4.675 13.916 ( 7.169 0.000 5.410) 8.982 14.150 ( -2.953 0.000 -2.413) 3.813 14.297 ( 4.035 0.000 -1.269) 4.230 14.326 ( -9.258 0.000 3.034) 9.743 14.436 ( 0.549 0.000 -4.330) 4.365 14.473 ( 1.272 0.000 -4.477) 4.655 14.771 ( 7.640 0.000 -0.000) 7.640 14.986 ( -2.427 0.000 -1.312) 2.759 14.998 ( 2.321 0.000 0.025) 2.321 15.203 ( 0.746 0.000 -0.880) 1.153 15.371 ( -2.254 0.000 -0.413) 2.292 15.413 ( -4.594 0.000 -7.209) 8.548 15.487 ( 1.485 0.000 2.817) 3.185 15.545 ( 2.360 0.000 0.142) 2.364 15.884 ( -1.743 0.000 2.084) 2.717 15.915 ( 5.297 0.000 -2.753) 5.970 16.050 ( 9.138 0.000 -4.610) 10.235 16.142 ( -5.187 0.000 1.531) 5.408 16.181 ( 4.876 0.000 -4.376) 6.551 16.375 ( -7.130 0.000 6.625) 9.733 16.414 ( 2.192 0.000 -2.475) 3.306 16.659 ( -7.985 0.000 -5.721) 9.822 16.799 ( -10.480 0.000 -6.720) 12.449 16.823 ( -8.526 0.000 -0.303) 8.531 19.161 ( 0.838 0.000 -3.798) 3.890 19.216 ( -11.351 0.000 -5.235) 12.500 19.512 ( 1.032 0.000 3.451) 3.602 19.688 ( 1.370 0.000 -3.393) 3.659 20.858 ( -0.806 0.000 2.710) 2.827 20.980 ( -3.087 0.000 -2.745) 4.131 21.227 ( 1.365 0.000 3.204) 3.482 21.244 ( 6.720 0.000 0.928) 6.784 24.969 ( -1.102 0.000 1.452) 1.823 25.091 ( 3.228 0.000 -4.589) 5.610 25.301 ( 0.244 0.000 5.079) 5.085 25.541 ( -4.139 0.000 2.490) 4.830 25.844 ( -1.717 0.000 -3.040) 3.491 25.897 ( 1.393 0.000 -4.583) 4.790 26.069 ( 0.923 0.000 3.413) 3.536 26.150 ( -1.523 0.000 -0.576) 1.628 26.384 ( 2.085 0.000 5.637) 6.010 26.574 ( 0.223 0.000 5.694) 5.699 26.933 ( 0.777 0.000 4.459) 4.527 27.052 ( -3.341 0.000 -1.327) 3.595 27.178 ( -11.770 0.000 0.478) 11.780 27.231 ( -3.380 0.000 -1.573) 3.728 27.390 ( -0.409 0.000 -3.362) 3.387 27.392 ( -2.430 0.000 -3.369) 4.154 27.470 ( -1.784 0.000 -2.827) 3.343 27.480 ( -1.606 0.000 -4.442) 4.723 27.658 ( 6.353 0.000 3.798) 7.402 28.007 ( 1.788 0.000 -2.756) 3.285 28.027 ( 2.320 0.000 -3.980) 4.607 28.075 ( -2.209 0.000 0.533) 2.272 28.142 ( 9.112 0.000 5.547) 10.667 28.279 ( -2.074 0.000 5.795) 6.155 28.392 ( 4.522 0.000 0.533) 4.554 28.540 ( -0.090 0.000 0.581) 0.588 28.742 ( 8.080 0.000 4.678) 9.337 29.030 ( 4.941 0.000 -0.315) 4.951 29.141 ( 4.410 0.000 -4.684) 6.434 29.221 ( 6.545 0.000 -1.728) 6.769 29.234 ( 19.977 0.000 -2.057) 20.083 29.375 ( -4.545 0.000 2.312) 5.099 29.585 ( -4.184 0.000 2.223) 4.738 29.899 ( -1.667 0.000 4.590) 4.883 30.089 ( -1.517 0.000 8.301) 8.438 30.321 ( -8.112 0.000 -4.722) 9.386 30.455 ( 1.605 0.000 -5.596) 5.821 30.731 ( -5.707 0.000 0.548) 5.733 30.944 ( -4.259 0.000 6.947) 8.149 31.056 ( -5.660 0.000 -7.257) 9.203 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -7.830 17.610 23.241) 30.193 1.912 ( 6.311 15.909 19.487) 25.935 2.004 ( 6.004 7.039 -5.616) 10.823 2.419 ( 5.576 -5.102 -0.210) 7.561 2.559 ( 7.109 1.385 -8.953) 11.516 2.611 ( -0.375 -8.910 -0.569) 8.936 2.665 ( 7.698 -3.291 -1.825) 8.569 2.823 ( -0.623 10.816 29.956) 31.855 2.954 ( 1.737 -2.884 -2.520) 4.205 3.075 ( 4.930 -4.265 8.192) 10.469 3.311 ( 0.783 -1.829 7.159) 7.430 3.332 ( -4.749 -10.767 -4.120) 12.468 3.407 ( -4.037 -2.477 2.799) 5.501 3.516 ( -0.025 0.859 8.183) 8.228 3.611 ( -3.804 6.311 -5.994) 9.499 3.630 ( 6.642 8.390 1.885) 10.865 3.683 ( -2.608 2.068 -5.955) 6.822 3.762 ( -7.269 2.127 0.841) 7.620 3.775 ( 2.478 -1.711 0.308) 3.027 3.808 ( 0.071 -2.879 -6.420) 7.037 3.896 ( -0.239 4.802 3.124) 5.733 3.991 ( 3.917 2.440 -4.541) 6.474 4.131 ( -1.463 0.900 -3.353) 3.768 4.242 ( 1.198 4.544 -6.911) 8.357 4.255 ( 2.370 -1.424 0.877) 2.901 4.322 ( -1.264 -1.325 -8.316) 8.515 4.494 ( 0.927 0.920 5.349) 5.506 4.577 ( -0.330 1.354 -4.920) 5.113 4.626 ( -1.895 1.358 1.560) 2.805 4.690 ( -1.308 -7.285 10.178) 12.584 4.739 ( -4.110 -2.726 -3.442) 6.014 4.794 ( -0.270 3.391 2.223) 4.064 4.864 ( -1.984 2.005 0.786) 2.928 4.958 ( 3.803 2.760 -6.172) 7.757 4.999 ( 2.482 2.296 3.230) 4.676 5.041 ( -1.148 -6.405 -2.997) 7.164 5.098 ( -2.086 1.838 -3.930) 4.814 5.116 ( -0.583 -2.099 -5.321) 5.750 5.217 ( 0.773 2.794 4.945) 5.732 5.323 ( -2.282 5.605 0.534) 6.075 5.357 ( -2.095 -1.261 0.230) 2.456 5.440 ( 2.053 -5.533 8.255) 10.148 5.473 ( 1.485 0.701 -3.275) 3.664 5.514 ( 1.209 -1.081 -2.081) 2.639 5.536 ( 5.301 0.475 -5.857) 7.914 5.668 ( -2.387 3.938 -3.157) 5.584 5.693 ( -1.156 -1.327 -0.523) 1.836 5.805 ( 0.928 1.406 -4.593) 4.892 5.898 ( 1.113 -1.122 0.627) 1.700 5.929 ( 1.332 -0.920 0.495) 1.693 5.966 ( -0.826 0.058 -2.781) 2.901 6.036 ( -2.018 4.574 -3.305) 5.993 6.081 ( 0.028 -4.710 -5.971) 7.605 6.151 ( -6.360 -5.257 -8.557) 11.887 6.254 ( 1.148 -1.434 0.820) 2.012 6.274 ( 0.900 -1.794 -0.234) 2.020 6.471 ( -4.299 -4.979 2.080) 6.899 6.493 ( -1.311 -4.925 -0.248) 5.103 6.615 ( -4.094 -3.020 7.192) 8.809 6.726 ( 5.047 -3.422 -3.290) 6.929 6.818 ( -2.352 -0.900 2.210) 3.350 6.849 ( 0.791 -0.641 0.647) 1.206 6.977 ( 1.940 0.721 5.139) 5.540 7.050 ( -3.594 0.604 -1.570) 3.968 7.094 ( -2.852 4.637 7.857) 9.559 7.224 ( -0.799 1.559 -3.065) 3.531 7.289 ( 3.910 -1.970 2.139) 4.872 7.357 ( -0.127 -2.465 -3.834) 4.560 7.404 ( -0.937 1.358 2.520) 3.013 7.477 ( 4.052 2.821 -5.126) 7.117 7.567 ( 3.957 -0.549 3.503) 5.314 7.679 ( -0.945 0.269 -7.441) 7.506 7.930 ( -3.363 2.556 3.177) 5.285 8.006 ( 3.780 3.570 -3.671) 6.365 8.075 ( -1.879 0.342 4.107) 4.530 8.158 ( -3.321 0.015 -0.419) 3.348 8.387 ( -0.262 2.285 2.232) 3.205 8.481 ( 0.552 0.163 -3.395) 3.444 8.633 ( -0.162 6.029 0.435) 6.046 8.655 ( 4.868 6.080 -2.582) 8.205 8.761 ( -2.882 -0.367 1.463) 3.252 8.796 ( -1.710 2.009 -1.468) 3.019 8.818 ( -2.274 -0.260 0.224) 2.300 8.866 ( 3.557 1.000 -3.170) 4.869 8.997 ( -4.679 -5.107 3.724) 7.864 9.046 ( 0.683 -3.335 0.965) 3.539 9.091 ( 3.039 -0.883 0.965) 3.309 9.126 ( 2.342 0.649 -1.834) 3.045 9.302 ( 2.068 -5.829 1.758) 6.430 9.327 ( -2.760 -4.502 -0.459) 5.301 9.517 ( -2.908 -2.394 4.767) 6.075 9.538 ( -0.535 1.721 2.218) 2.858 9.607 ( 5.524 1.966 -1.434) 6.037 9.670 ( 2.118 -4.694 -6.419) 8.229 9.801 ( -1.520 2.812 4.681) 5.669 9.903 ( 0.592 1.721 -5.054) 5.372 10.065 ( 2.552 3.342 -0.009) 4.205 10.088 ( -2.267 -0.560 -2.182) 3.197 10.412 ( -3.151 -2.310 2.501) 4.639 10.435 ( 2.254 -2.153 0.484) 3.154 10.638 ( -0.398 -4.953 4.519) 6.716 10.724 ( 4.057 -8.423 -2.264) 9.619 10.872 ( 0.693 -5.129 3.943) 6.507 10.908 ( -0.311 -6.126 1.938) 6.432 11.002 ( 1.691 1.802 4.158) 4.837 11.096 ( 0.062 -2.142 -1.513) 2.623 11.134 ( -1.908 4.242 -1.030) 4.765 11.212 ( -1.751 2.681 -4.998) 5.936 11.883 ( 2.421 -0.707 2.067) 3.261 11.928 ( -4.039 -3.204 -1.914) 5.499 12.095 ( -0.834 -3.233 1.077) 3.508 12.117 ( 0.167 -3.363 -0.982) 3.508 12.278 ( 5.408 4.289 2.432) 7.318 12.299 ( -3.904 3.319 0.079) 5.125 12.345 ( -1.508 1.648 4.970) 5.449 12.413 ( 0.460 6.683 -1.564) 6.879 12.462 ( -0.209 2.428 0.864) 2.586 12.529 ( 1.886 4.133 -2.094) 5.002 12.638 ( 0.933 -2.389 0.985) 2.748 12.721 ( 0.288 -3.204 -4.892) 5.855 12.797 ( 2.509 -3.019 2.764) 4.801 12.850 ( -4.291 -1.563 -3.216) 5.586 13.075 ( -4.872 1.342 2.676) 5.719 13.085 ( 5.313 4.862 0.644) 7.230 13.174 ( -3.614 0.323 1.407) 3.891 13.214 ( -0.759 0.975 -1.594) 2.017 13.297 ( -1.838 -2.698 7.244) 7.946 13.399 ( 1.034 -4.020 -2.125) 4.664 13.535 ( -3.061 0.739 5.373) 6.228 13.618 ( 2.291 -0.610 -2.421) 3.388 13.661 ( 4.673 -0.028 -0.296) 4.683 13.723 ( 5.580 -2.613 -6.607) 9.035 14.147 ( 2.221 2.565 9.683) 10.260 14.214 ( 1.554 3.710 3.010) 5.023 14.261 ( -2.292 8.585 -1.931) 9.093 14.352 ( -1.084 2.667 -9.645) 10.066 14.419 ( 0.080 5.450 1.557) 5.668 14.492 ( -1.782 4.304 -5.135) 6.933 14.848 ( -4.103 -4.044 3.442) 6.711 14.902 ( 1.984 -4.330 -2.796) 5.523 15.082 ( 4.329 5.115 2.251) 7.069 15.171 ( -5.591 2.196 -6.014) 8.500 15.339 ( 2.629 3.091 0.761) 4.129 15.370 ( -2.864 3.755 -2.453) 5.321 15.606 ( 0.793 5.266 1.710) 5.593 15.636 ( -0.929 4.879 -0.506) 4.993 15.737 ( -4.210 -6.299 4.627) 8.878 15.848 ( 0.237 -6.563 -5.759) 8.735 16.074 ( -5.605 3.642 1.878) 6.943 16.115 ( 1.052 -1.782 -2.925) 3.583 16.197 ( 2.113 -5.487 3.700) 6.947 16.224 ( 0.119 -4.445 0.873) 4.531 16.516 ( 3.985 5.345 -2.208) 7.023 16.524 ( -2.511 2.575 -2.473) 4.365 16.695 ( 0.365 -0.523 0.597) 0.874 16.711 ( -1.418 -0.888 -0.850) 1.876 19.123 ( -3.169 3.516 2.073) 5.168 19.183 ( 2.015 3.266 -4.095) 5.612 19.487 ( -0.060 -6.033 3.875) 7.171 19.564 ( 0.494 -6.943 -4.024) 8.039 20.945 ( 0.742 5.738 2.162) 6.176 20.983 ( -1.184 4.750 -1.733) 5.193 21.212 ( 0.087 -3.972 2.311) 4.596 21.251 ( 0.390 -5.716 -1.245) 5.863 24.988 ( -0.342 0.812 2.618) 2.762 25.042 ( -0.415 -1.248 -2.433) 2.766 25.332 ( 1.282 -2.670 3.639) 4.692 25.370 ( -2.679 -3.594 0.240) 4.489 25.869 ( -0.048 4.058 -0.284) 4.068 25.898 ( -0.764 3.048 -2.859) 4.248 26.129 ( -0.280 1.037 1.240) 1.641 26.140 ( -0.191 0.344 0.303) 0.497 26.584 ( 7.860 -0.660 4.385) 9.024 26.614 ( 0.428 -1.074 1.568) 1.948 26.950 ( -1.748 -0.309 -1.689) 2.450 26.964 ( -1.952 -0.746 -2.770) 3.470 27.084 ( -2.098 3.310 6.023) 7.186 27.188 ( 0.023 2.370 -4.017) 4.664 27.323 ( -2.115 -4.300 2.368) 5.345 27.365 ( 0.846 -2.311 -2.151) 3.269 27.444 ( 1.164 5.138 1.639) 5.518 27.507 ( -1.370 5.856 -4.359) 7.427 27.777 ( 3.063 -1.951 3.690) 5.177 27.872 ( -4.224 -3.451 -5.660) 7.860 28.087 ( -1.982 4.934 0.768) 5.372 28.104 ( 1.082 4.513 -1.019) 4.751 28.312 ( -1.733 1.229 1.754) 2.755 28.339 ( 2.536 -0.388 -1.028) 2.764 28.396 ( 1.445 -5.160 2.526) 5.924 28.441 ( 0.740 -3.011 -1.703) 3.538 28.816 ( -2.114 -8.222 4.104) 9.429 28.864 ( 1.946 -8.237 -0.619) 8.486 29.184 ( -6.952 2.317 4.963) 8.851 29.277 ( 5.404 3.498 -4.599) 7.911 29.345 ( -4.212 -0.314 0.809) 4.301 29.384 ( 5.107 2.565 -2.711) 6.325 29.827 ( -8.018 1.903 2.637) 8.653 29.863 ( 12.427 0.904 -0.834) 12.488 30.127 ( -3.952 1.161 6.032) 7.304 30.206 ( 0.894 -1.709 -1.395) 2.380 30.562 ( 5.921 1.867 0.927) 6.278 30.603 ( -5.499 1.872 -2.596) 6.362 30.867 ( -0.852 -4.264 1.031) 4.469 30.928 ( 3.815 -5.052 -4.959) 8.041 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.545 15.576 13.319) 20.502 1.994 ( 16.130 10.470 -20.782) 28.315 2.113 ( -11.113 18.923 18.387) 28.630 2.176 ( -9.475 10.555 -28.364) 31.712 2.435 ( -4.160 -3.686 -9.346) 10.874 2.631 ( 3.875 -8.100 -3.358) 9.587 2.707 ( -5.056 -12.055 -15.312) 20.133 2.830 ( -4.533 -2.024 0.179) 4.967 3.020 ( -6.787 -3.025 2.039) 7.705 3.152 ( 3.396 -5.609 -7.313) 9.822 3.258 ( -2.483 -8.935 0.648) 9.296 3.361 ( -0.459 -7.499 10.105) 12.592 3.424 ( -0.982 0.099 -2.750) 2.922 3.539 ( -0.487 1.945 2.016) 2.844 3.561 ( -8.382 -1.641 5.144) 9.971 3.659 ( 8.398 13.396 1.307) 15.864 3.692 ( 2.444 3.131 -2.567) 4.729 3.750 ( 8.535 1.425 -0.129) 8.654 3.821 ( 8.766 5.239 3.001) 10.644 3.871 ( -1.081 3.740 -1.989) 4.372 3.881 ( -0.418 2.337 4.327) 4.935 4.012 ( 2.874 -0.941 -3.667) 4.753 4.158 ( 1.174 0.489 -5.022) 5.181 4.193 ( 3.666 7.163 5.617) 9.814 4.230 ( -0.701 -5.848 -2.661) 6.463 4.304 ( -1.337 0.448 -1.925) 2.386 4.455 ( -4.418 1.627 1.220) 4.864 4.508 ( 0.250 -1.374 4.626) 4.832 4.655 ( -1.946 -2.257 2.607) 3.959 4.713 ( -0.283 0.781 1.191) 1.452 4.759 ( 0.294 3.210 3.222) 4.558 4.813 ( -4.402 1.723 5.265) 7.076 4.861 ( 1.801 -3.292 -6.387) 7.408 4.940 ( -2.061 4.125 -0.119) 4.613 5.000 ( 0.157 1.147 -1.748) 2.097 5.018 ( -1.920 -0.901 -3.201) 3.840 5.080 ( 7.807 -3.186 0.274) 8.437 5.123 ( 5.110 0.711 4.979) 7.170 5.259 ( -1.245 6.262 0.384) 6.396 5.324 ( -1.278 -0.237 1.092) 1.697 5.395 ( 0.906 1.934 5.836) 6.215 5.453 ( -0.960 0.316 -4.626) 4.735 5.480 ( 2.667 -2.977 -5.532) 6.825 5.543 ( 0.940 -2.450 -8.237) 8.645 5.565 ( -7.358 -2.745 2.431) 8.221 5.613 ( 4.916 -0.566 -1.436) 5.152 5.648 ( 7.638 -1.827 0.458) 7.867 5.818 ( -0.572 6.253 0.489) 6.298 5.872 ( -1.980 -1.484 4.814) 5.413 5.951 ( 0.088 -2.086 -5.454) 5.840 5.968 ( -1.155 0.949 -1.403) 2.050 6.029 ( 1.790 1.923 0.671) 2.712 6.049 ( 1.837 -2.153 4.331) 5.173 6.160 ( 2.729 -3.344 8.926) 9.915 6.244 ( 1.286 -2.106 -0.883) 2.621 6.313 ( 1.999 -3.765 -1.032) 4.386 6.418 ( -4.987 -6.671 3.371) 8.985 6.533 ( 2.735 -6.494 3.668) 7.944 6.594 ( -3.649 -1.264 5.170) 6.453 6.732 ( 0.444 -8.188 -3.281) 8.832 6.800 ( -0.636 2.326 0.949) 2.591 6.862 ( -2.610 0.275 0.854) 2.760 6.936 ( -3.333 0.940 -0.169) 3.467 7.033 ( -1.456 2.038 2.527) 3.557 7.083 ( -7.279 0.075 6.862) 10.004 7.209 ( 1.886 4.111 -2.279) 5.065 7.304 ( -1.979 -2.339 -0.444) 3.096 7.326 ( 0.291 1.286 -4.025) 4.236 7.433 ( 2.407 3.991 -0.153) 4.663 7.470 ( 1.080 -0.408 -5.437) 5.558 7.597 ( 0.642 1.094 -6.951) 7.066 7.663 ( 3.309 -1.264 2.411) 4.285 7.924 ( -1.735 3.214 2.930) 4.682 8.039 ( 3.705 0.948 -2.295) 4.460 8.086 ( -3.556 2.388 1.808) 4.649 8.124 ( -0.993 -1.031 6.189) 6.352 8.388 ( -1.210 -3.688 -0.742) 3.952 8.436 ( -1.561 0.222 -1.614) 2.256 8.606 ( -2.191 6.885 -2.259) 7.571 8.614 ( -8.752 1.755 -0.312) 8.932 8.656 ( -6.523 3.052 -0.494) 7.219 8.770 ( 1.317 3.821 1.475) 4.302 8.819 ( -0.468 -0.066 -0.140) 0.493 8.893 ( -2.480 -4.384 2.802) 5.764 8.977 ( 2.901 2.454 -1.134) 3.965 9.045 ( 0.503 1.966 -2.078) 2.904 9.162 ( 4.172 -3.390 -0.629) 5.412 9.197 ( 3.383 -0.861 1.955) 4.001 9.267 ( -2.529 -7.016 -0.743) 7.495 9.352 ( 0.500 -3.752 1.265) 3.991 9.470 ( -3.481 2.802 -2.071) 4.925 9.526 ( 0.906 -2.003 1.848) 2.872 9.667 ( 3.826 -2.793 -5.704) 7.414 9.686 ( 3.178 -2.032 -2.128) 4.331 9.822 ( -1.365 3.008 3.037) 4.487 9.909 ( 5.056 1.089 -2.797) 5.880 10.027 ( -2.213 0.381 -1.487) 2.694 10.097 ( 0.326 1.703 1.691) 2.422 10.351 ( -5.831 -2.943 0.799) 6.580 10.446 ( -0.964 -0.668 0.283) 1.206 10.641 ( -0.485 -1.338 0.030) 1.424 10.706 ( -0.956 -8.868 -5.204) 10.327 10.843 ( -6.090 -5.961 -0.196) 8.524 10.921 ( -0.275 0.470 -2.612) 2.668 10.982 ( -3.119 -4.670 1.160) 5.735 11.072 ( -0.426 -2.148 -0.002) 2.190 11.146 ( -0.440 5.154 -0.121) 5.175 11.217 ( 3.376 3.824 4.754) 6.973 11.862 ( -1.435 -0.189 -0.921) 1.716 11.969 ( 2.490 -4.575 3.671) 6.372 12.053 ( -1.087 0.285 0.425) 1.202 12.171 ( 3.745 -5.105 0.497) 6.351 12.208 ( -4.189 5.511 -1.720) 7.132 12.337 ( -0.982 3.073 0.514) 3.267 12.386 ( -2.693 2.719 -0.465) 3.855 12.417 ( -3.473 2.032 1.543) 4.309 12.434 ( 5.692 4.160 0.344) 7.058 12.525 ( 1.619 2.380 -4.867) 5.655 12.633 ( -1.065 -2.426 -1.701) 3.148 12.718 ( 0.881 -3.773 -0.943) 3.988 12.777 ( -1.512 -0.267 1.555) 2.186 12.895 ( 2.708 -5.077 3.792) 6.891 13.001 ( -2.937 1.801 0.480) 3.478 13.130 ( -3.489 2.271 3.453) 5.408 13.200 ( 3.264 3.608 1.698) 5.153 13.202 ( -0.118 -0.566 0.809) 0.994 13.335 ( -0.826 -0.592 6.220) 6.302 13.352 ( -3.499 -4.892 -5.305) 8.020 13.516 ( -0.639 -1.889 -0.105) 1.997 13.555 ( -3.712 -1.096 0.121) 3.872 13.676 ( 1.589 0.245 -9.522) 9.657 13.720 ( 2.014 0.999 -4.141) 4.712 14.134 ( -7.978 6.506 -6.299) 12.069 14.205 ( -1.412 4.744 2.286) 5.452 14.287 ( 1.436 2.639 -0.341) 3.024 14.319 ( -0.072 -0.651 0.068) 0.658 14.476 ( 5.524 7.776 3.271) 10.084 14.488 ( 4.467 4.447 1.061) 6.392 14.762 ( -7.720 0.405 3.181) 8.360 14.899 ( -1.897 -7.068 -0.043) 7.318 15.012 ( -3.915 3.819 -1.870) 5.780 15.200 ( 1.760 3.777 4.082) 5.833 15.312 ( -0.716 0.683 -1.619) 1.898 15.394 ( 1.805 2.300 2.068) 3.581 15.585 ( -2.535 3.910 0.080) 4.661 15.627 ( -1.199 6.300 0.705) 6.451 15.727 ( -4.126 -4.001 4.946) 7.583 15.829 ( 2.697 -4.528 -0.330) 5.280 16.000 ( -6.585 5.426 4.726) 9.754 16.116 ( 0.140 -3.731 -0.687) 3.796 16.217 ( 1.286 -1.125 -0.263) 1.729 16.309 ( 5.993 -5.930 0.660) 8.457 16.497 ( 1.823 2.359 -2.715) 4.032 16.607 ( 6.974 1.690 -1.307) 7.294 16.728 ( 3.711 -1.753 -0.108) 4.105 16.774 ( 6.359 -3.046 1.994) 7.327 19.129 ( 0.083 2.949 3.179) 4.337 19.211 ( 4.283 2.566 -1.097) 5.112 19.515 ( -0.990 -6.764 3.303) 7.592 19.527 ( -0.105 -5.002 -3.955) 6.377 20.947 ( 0.011 3.651 -0.714) 3.721 21.007 ( 2.324 6.050 1.177) 6.587 21.162 ( -3.886 -4.454 -0.038) 5.911 21.268 ( 0.114 -3.015 -0.321) 3.034 25.008 ( -0.645 0.283 2.170) 2.281 25.013 ( -0.148 0.164 -1.223) 1.243 25.336 ( 0.068 -1.499 -0.486) 1.577 25.431 ( 4.540 -5.677 2.367) 7.645 25.857 ( -0.907 3.672 0.265) 3.791 25.895 ( 0.837 3.228 1.014) 3.485 26.136 ( -0.480 1.251 -0.289) 1.370 26.141 ( 0.239 0.568 1.007) 1.181 26.546 ( -2.631 1.335 -6.975) 7.574 26.664 ( 1.851 -2.829 -5.634) 6.570 26.989 ( 4.032 -0.182 1.416) 4.277 26.993 ( 3.858 -0.744 2.621) 4.723 27.134 ( 1.691 0.502 5.727) 5.993 27.193 ( 3.841 1.084 -1.224) 4.175 27.300 ( -1.985 -2.000 3.807) 4.736 27.371 ( 0.601 -2.616 -0.502) 2.731 27.428 ( -0.476 5.276 -1.850) 5.611 27.562 ( 6.439 6.712 1.741) 9.462 27.733 ( -5.494 -1.603 -3.191) 6.553 27.887 ( 3.349 -2.279 5.146) 6.549 28.046 ( -2.614 5.923 1.764) 6.710 28.140 ( 1.994 3.946 -0.273) 4.429 28.247 ( -6.369 3.217 -2.136) 7.448 28.326 ( -1.144 -3.535 -0.446) 3.742 28.420 ( 0.014 -3.885 -2.326) 4.528 28.447 ( 1.567 -2.758 -0.612) 3.231 28.735 ( -8.495 -6.684 0.377) 10.816 28.811 ( -7.228 -9.774 0.236) 12.159 29.081 ( -9.835 3.853 3.408) 11.099 29.237 ( -8.420 -1.195 0.667) 8.530 29.285 ( -4.717 5.631 0.213) 7.349 29.413 ( 3.840 0.583 -4.315) 5.805 29.737 ( 1.033 5.429 -2.442) 6.042 29.973 ( 1.129 -1.021 -2.934) 3.305 30.157 ( 0.342 -2.050 6.778) 7.090 30.221 ( 1.145 -1.786 -1.765) 2.760 30.421 ( -7.830 3.175 -0.391) 8.458 30.755 ( 8.072 -5.186 1.056) 9.652 30.850 ( 5.892 0.342 -1.519) 6.094 31.075 ( 12.582 -3.386 -4.807) 13.888 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.049 11.014 -26.045) 28.278 1.888 ( 6.490 6.364 -0.900) 9.134 2.122 ( 10.755 9.031 -9.925) 17.197 2.203 ( -2.249 17.759 10.339) 20.672 2.288 ( 4.280 -0.825 -8.195) 9.282 2.492 ( -1.056 2.711 -2.561) 3.876 2.628 ( -8.817 -1.094 -0.114) 8.886 2.708 ( -6.133 -4.221 8.083) 10.989 2.916 ( -2.748 -9.662 -0.717) 10.071 3.135 ( -0.764 -0.083 -1.121) 1.359 3.236 ( -0.606 -9.039 -2.743) 9.466 3.392 ( -2.922 0.898 -1.672) 3.484 3.436 ( 2.710 -3.138 3.579) 5.478 3.474 ( -3.253 -10.579 5.762) 12.478 3.576 ( 6.257 -0.119 -7.181) 9.525 3.707 ( 0.987 -1.030 2.995) 3.317 3.753 ( 3.693 8.154 -2.413) 9.271 3.800 ( 6.889 4.366 -4.770) 9.449 3.824 ( -0.978 7.737 -2.114) 8.080 3.911 ( 4.533 0.371 -9.897) 10.892 3.998 ( 1.574 -0.881 -3.936) 4.330 4.057 ( 4.420 -0.338 3.502) 5.649 4.153 ( 1.303 2.332 -3.988) 4.800 4.235 ( 1.562 -2.302 3.861) 4.759 4.321 ( 6.622 3.484 7.288) 10.445 4.364 ( 0.018 6.481 6.831) 9.417 4.423 ( -1.626 -3.998 4.053) 5.920 4.525 ( -0.117 -8.359 -3.642) 9.119 4.654 ( -6.158 -0.185 8.112) 10.187 4.705 ( -3.417 8.510 -1.772) 9.340 4.747 ( -0.909 2.035 -0.222) 2.239 4.837 ( 3.348 2.178 1.289) 4.197 4.859 ( 1.435 1.976 -1.122) 2.688 4.916 ( -2.429 -2.757 0.964) 3.798 4.960 ( 2.591 6.226 0.725) 6.782 5.024 ( 0.024 -1.412 -2.978) 3.296 5.139 ( 2.926 -5.552 -2.348) 6.700 5.252 ( -1.753 7.115 -2.741) 7.824 5.262 ( -0.226 3.438 -1.507) 3.761 5.283 ( -2.237 -4.771 3.106) 6.117 5.322 ( -1.200 -2.456 3.904) 4.766 5.381 ( -1.068 3.627 -3.904) 5.435 5.455 ( 0.480 -1.202 -4.871) 5.040 5.510 ( -5.561 1.410 4.909) 7.551 5.602 ( 0.379 -1.250 0.116) 1.311 5.614 ( 0.318 -0.243 -3.472) 3.495 5.754 ( 2.014 -4.507 -1.580) 5.183 5.813 ( 1.010 0.453 0.036) 1.108 5.878 ( -2.427 -3.488 0.736) 4.312 5.904 ( 0.494 4.050 -3.832) 5.597 5.946 ( 3.553 0.097 -0.130) 3.557 6.034 ( -3.404 0.793 2.678) 4.403 6.146 ( -1.729 -2.755 4.694) 5.711 6.180 ( -1.095 -2.270 4.774) 5.399 6.215 ( -4.180 -3.282 -3.603) 6.421 6.374 ( -0.025 -3.218 0.066) 3.219 6.435 ( 2.724 -2.886 6.750) 7.830 6.555 ( 1.033 -7.639 -1.720) 7.898 6.663 ( -1.992 -4.202 7.188) 8.561 6.737 ( 3.424 -5.632 -3.931) 7.674 6.788 ( -4.993 1.827 3.772) 6.519 6.804 ( -0.755 -0.707 1.640) 1.939 6.926 ( -0.465 3.046 -1.093) 3.270 7.030 ( -1.381 0.721 3.490) 3.822 7.031 ( -3.880 -1.235 3.312) 5.249 7.200 ( 0.921 4.975 -5.736) 7.648 7.227 ( -4.407 -0.936 -0.762) 4.569 7.324 ( 2.339 1.764 -2.367) 3.766 7.406 ( -0.162 3.285 -2.175) 3.943 7.493 ( 1.524 -0.423 3.020) 3.409 7.577 ( 4.601 0.574 -6.169) 7.717 7.698 ( -1.557 1.536 0.834) 2.340 7.914 ( -2.094 0.214 1.223) 2.435 8.028 ( -4.226 2.834 0.373) 5.102 8.076 ( 0.310 -2.466 0.955) 2.663 8.156 ( -1.376 -1.678 0.206) 2.180 8.317 ( -3.886 -6.482 -2.855) 8.079 8.375 ( -4.962 -2.154 1.859) 5.719 8.483 ( -6.894 7.296 -0.744) 10.065 8.544 ( -2.094 6.461 -0.556) 6.814 8.583 ( -0.307 -0.482 0.081) 0.577 8.758 ( -4.692 -0.844 -0.602) 4.805 8.810 ( 3.173 2.822 -1.209) 4.415 8.842 ( -6.193 0.209 2.647) 6.739 9.029 ( 1.798 2.003 -0.283) 2.706 9.072 ( 3.340 5.983 -0.993) 6.923 9.150 ( 0.762 2.781 -1.555) 3.276 9.246 ( 0.564 -4.527 2.935) 5.425 9.327 ( -0.409 -5.215 1.705) 5.502 9.350 ( 4.950 1.060 3.780) 6.318 9.447 ( 0.209 -3.774 -0.287) 3.791 9.584 ( 5.691 -1.625 -1.793) 6.185 9.645 ( 1.077 -7.145 -4.052) 8.284 9.693 ( -1.114 -3.214 -1.322) 3.649 9.833 ( 0.145 3.535 3.368) 4.885 9.964 ( 1.829 3.747 -0.905) 4.267 10.035 ( 5.622 -2.176 -0.434) 6.044 10.125 ( -0.040 1.847 4.162) 4.553 10.260 ( -3.571 0.595 -0.714) 3.690 10.428 ( -0.762 -0.364 -0.613) 1.044 10.613 ( -0.874 -5.530 -2.653) 6.195 10.651 ( -2.121 -5.098 -2.541) 6.078 10.725 ( -4.779 -2.507 0.437) 5.414 10.865 ( -0.990 2.381 -1.589) 3.028 10.965 ( 1.192 -2.305 -2.955) 3.933 11.071 ( -1.777 -7.512 4.956) 9.174 11.168 ( -0.248 6.454 2.975) 7.111 11.305 ( 0.897 3.527 3.794) 5.257 11.858 ( 0.574 0.734 0.665) 1.145 11.978 ( -2.480 -2.862 1.844) 4.212 12.111 ( -0.098 5.093 -1.469) 5.302 12.126 ( 1.440 1.613 -0.806) 2.307 12.226 ( 2.657 -4.969 -3.255) 6.507 12.299 ( -3.844 4.522 0.231) 5.940 12.326 ( -0.763 3.570 -1.176) 3.836 12.338 ( -4.340 -1.723 -2.412) 5.256 12.489 ( 1.602 -0.908 -7.554) 7.776 12.513 ( 0.898 1.008 -0.606) 1.480 12.602 ( -0.467 -2.594 -1.000) 2.819 12.711 ( 0.185 -4.754 0.667) 4.804 12.786 ( -1.419 -1.422 3.057) 3.659 12.945 ( -0.973 -5.014 4.083) 6.539 13.008 ( 0.634 0.005 3.059) 3.124 13.081 ( -8.670 -0.904 0.966) 8.771 13.151 ( -3.391 0.710 -1.450) 3.756 13.224 ( -1.210 0.000 2.822) 3.071 13.296 ( 2.378 0.124 1.569) 2.852 13.423 ( 5.788 2.981 1.882) 6.777 13.527 ( 1.629 -0.387 -1.885) 2.521 13.550 ( 4.556 0.434 -3.407) 5.706 13.605 ( 0.671 -1.857 -5.780) 6.108 13.707 ( 2.242 -0.228 -4.444) 4.983 13.943 ( -5.727 6.199 -6.360) 10.567 14.159 ( -7.910 6.177 4.769) 11.112 14.245 ( -3.283 -4.513 -3.880) 6.797 14.285 ( -4.260 3.560 1.453) 5.738 14.542 ( 1.257 6.904 -1.479) 7.171 14.643 ( 6.224 9.531 2.086) 11.573 14.714 ( 0.478 -0.837 4.626) 4.725 14.818 ( -6.279 -6.894 -1.424) 9.432 15.010 ( 1.606 2.349 2.774) 3.974 15.232 ( -0.085 4.105 2.668) 4.896 15.312 ( 0.087 -4.172 0.365) 4.189 15.426 ( 0.108 -1.602 0.754) 1.774 15.534 ( -3.453 4.121 -0.162) 5.379 15.607 ( -4.262 3.554 1.979) 5.892 15.704 ( -0.551 2.652 1.233) 2.976 15.911 ( 4.068 -0.884 3.767) 5.614 15.946 ( -6.003 5.583 5.181) 9.698 16.094 ( -1.162 -1.110 0.438) 1.665 16.246 ( 3.039 -0.297 -2.756) 4.113 16.421 ( 4.658 -4.323 2.799) 6.944 16.483 ( 1.860 0.003 -7.494) 7.722 16.710 ( 5.791 -2.249 0.060) 6.213 16.812 ( 4.636 -2.985 1.509) 5.717 16.919 ( 6.276 -4.599 3.035) 8.351 19.164 ( 0.280 2.674 2.561) 3.714 19.285 ( 2.277 -0.177 1.783) 2.897 19.489 ( 0.614 -3.695 -3.155) 4.897 19.518 ( -2.588 -6.409 3.096) 7.574 20.947 ( 1.320 3.520 -1.817) 4.175 21.042 ( 0.007 2.483 2.540) 3.552 21.142 ( 1.161 -0.399 0.942) 1.547 21.242 ( -2.336 0.139 -0.358) 2.367 24.999 ( 0.237 0.161 -1.197) 1.231 25.014 ( -1.145 -0.089 1.191) 1.655 25.340 ( 1.491 0.192 -1.884) 2.410 25.504 ( 2.058 -6.589 -0.832) 6.953 25.859 ( -0.161 3.240 1.920) 3.769 25.915 ( -0.139 2.379 1.546) 2.841 26.110 ( -1.372 2.022 -1.466) 2.849 26.147 ( -1.083 0.255 0.402) 1.183 26.476 ( 2.719 2.353 -5.074) 6.219 26.618 ( 1.775 -2.501 -7.450) 8.057 26.988 ( -0.417 1.072 -3.402) 3.591 27.088 ( 2.369 -1.205 1.532) 3.068 27.211 ( 0.363 -3.838 1.074) 4.001 27.278 ( 3.678 -4.112 2.086) 5.898 27.365 ( 1.035 0.432 4.890) 5.017 27.392 ( 1.312 -0.249 3.577) 3.818 27.455 ( 8.190 2.653 -0.492) 8.623 27.598 ( -2.169 -1.433 -4.178) 4.921 27.748 ( 5.051 14.125 8.580) 17.281 27.952 ( -3.098 1.731 1.548) 3.871 28.037 ( -1.484 4.212 0.279) 4.474 28.064 ( -5.210 1.079 -1.953) 5.668 28.170 ( 1.315 2.769 -1.839) 3.575 28.299 ( -1.727 -2.828 -1.552) 3.659 28.403 ( 2.015 1.159 -2.268) 3.248 28.439 ( -1.540 -5.462 -0.832) 5.735 28.591 ( -6.953 -5.609 0.312) 8.939 28.677 ( -8.546 -9.419 2.934) 13.052 28.911 ( -11.179 3.952 0.752) 11.881 29.098 ( -8.487 0.003 2.494) 8.846 29.187 ( -5.961 5.506 0.361) 8.123 29.454 ( 4.333 -3.365 -2.983) 6.244 29.739 ( 2.268 4.342 -5.871) 7.647 29.937 ( -1.296 1.328 -1.531) 2.406 30.167 ( -2.360 -0.750 -1.100) 2.710 30.257 ( -1.900 -7.357 7.415) 10.617 30.360 ( -0.434 5.319 5.046) 7.345 30.851 ( 4.161 -12.758 0.063) 13.419 31.009 ( 12.566 5.822 -4.983) 14.718 31.206 ( 8.448 -0.744 -5.583) 10.153 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 29.023 6.696 10.708) 31.651 2.084 ( 10.562 11.470 3.635) 16.010 2.176 ( 6.313 -3.404 10.319) 12.567 2.338 ( 6.288 9.450 -0.399) 11.357 2.416 ( 14.703 6.325 -3.225) 16.327 2.539 ( -4.103 1.567 13.182) 13.895 2.630 ( 7.156 3.637 2.246) 8.335 2.696 ( -4.584 6.326 11.504) 13.906 2.892 ( -2.759 -11.581 5.945) 13.307 3.137 ( 2.216 2.845 1.953) 4.101 3.215 ( -0.691 -1.877 0.780) 2.147 3.368 ( -0.316 -4.683 2.873) 5.503 3.428 ( -2.999 -4.256 -3.469) 6.257 3.539 ( 0.694 -7.463 2.905) 8.038 3.612 ( 3.134 -0.399 0.274) 3.171 3.671 ( -6.316 4.571 -6.068) 9.880 3.762 ( -1.819 3.095 -7.182) 8.030 3.783 ( 1.007 -0.789 4.855) 5.021 3.886 ( 2.986 7.035 0.996) 7.707 3.965 ( 3.491 -5.151 -8.716) 10.709 4.012 ( 13.441 0.162 0.173) 13.443 4.136 ( 7.545 0.260 -5.308) 9.229 4.143 ( -1.044 -1.681 -0.051) 1.980 4.279 ( 1.420 -1.024 0.391) 1.794 4.382 ( -2.151 -2.634 4.073) 5.306 4.415 ( -3.435 -4.828 -3.181) 6.725 4.442 ( -0.508 6.524 3.165) 7.268 4.508 ( -0.221 2.792 0.700) 2.887 4.584 ( -2.275 -0.573 -5.962) 6.407 4.643 ( -3.187 0.039 4.718) 5.693 4.738 ( 2.234 3.619 -6.753) 7.981 4.813 ( -1.789 2.615 -3.564) 4.768 4.835 ( 0.831 3.132 -4.696) 5.706 4.918 ( -1.687 3.407 -0.548) 3.841 4.961 ( -1.593 3.952 -2.291) 4.837 5.037 ( 1.577 -4.912 2.846) 5.892 5.094 ( -9.127 1.435 1.564) 9.371 5.171 ( -6.534 -3.689 -2.880) 8.038 5.217 ( -1.305 -3.642 -2.035) 4.371 5.288 ( 1.014 2.576 3.072) 4.135 5.314 ( -3.444 7.104 6.910) 10.491 5.390 ( 4.429 4.640 -6.558) 9.174 5.405 ( -0.259 -0.076 -2.927) 2.940 5.492 ( -0.936 0.744 5.706) 5.830 5.546 ( -6.492 -1.011 2.276) 6.953 5.626 ( 3.807 -5.168 -3.112) 7.134 5.698 ( -3.572 -1.868 -1.446) 4.282 5.815 ( -0.682 1.348 -2.329) 2.776 5.838 ( 2.092 -2.626 -2.392) 4.123 5.898 ( 0.082 3.689 -1.337) 3.925 5.976 ( -3.226 -0.052 -0.758) 3.314 6.021 ( 2.189 0.759 -0.261) 2.331 6.136 ( 1.270 -1.079 -1.047) 1.968 6.145 ( -0.333 -4.817 0.965) 4.924 6.185 ( -5.305 -1.078 1.707) 5.677 6.374 ( 0.202 -2.837 -2.160) 3.571 6.451 ( -1.231 -6.163 -4.829) 7.926 6.525 ( -3.829 0.453 -3.418) 5.153 6.618 ( -5.015 -3.664 0.796) 6.262 6.704 ( -0.416 -5.511 -4.416) 7.074 6.769 ( -3.424 -4.688 5.598) 8.065 6.822 ( -2.096 -1.589 2.121) 3.379 6.865 ( -4.733 0.440 -1.509) 4.987 6.980 ( -2.435 -2.103 -3.086) 4.458 7.031 ( -2.857 2.071 4.537) 5.748 7.133 ( -0.290 5.091 -5.414) 7.438 7.219 ( 2.155 -1.850 2.428) 3.736 7.327 ( 2.195 -0.089 -3.592) 4.211 7.446 ( 3.038 4.656 1.535) 5.767 7.557 ( 1.957 -0.797 3.363) 3.972 7.627 ( 3.087 -0.911 -0.576) 3.270 7.649 ( -1.182 4.431 -1.089) 4.713 7.893 ( -1.811 -2.699 0.581) 3.302 7.934 ( -4.667 -0.805 -2.268) 5.251 8.001 ( -5.873 -3.063 -3.835) 7.654 8.112 ( -1.675 -5.324 -1.478) 5.774 8.286 ( 1.021 0.445 0.602) 1.266 8.339 ( -1.725 0.417 2.236) 2.854 8.367 ( -5.286 8.101 1.682) 9.818 8.518 ( 0.330 5.763 -1.341) 5.926 8.598 ( 1.012 0.613 -0.749) 1.401 8.681 ( -4.747 -1.315 0.449) 4.946 8.817 ( 1.375 1.421 4.429) 4.850 8.887 ( 5.545 2.145 0.555) 5.972 9.008 ( -3.730 2.093 1.747) 4.620 9.098 ( 1.279 3.899 -1.982) 4.557 9.176 ( 3.408 2.025 -2.550) 4.713 9.284 ( -2.695 -1.629 2.077) 3.773 9.369 ( 3.746 -3.497 0.910) 5.205 9.414 ( 1.576 -1.531 -3.277) 3.946 9.478 ( -0.729 -0.581 8.624) 8.674 9.635 ( -1.242 -2.697 -1.233) 3.215 9.674 ( 4.882 -2.354 0.002) 5.420 9.696 ( 3.441 -6.633 3.758) 8.364 9.898 ( 2.008 4.035 4.186) 6.151 9.971 ( -0.760 4.609 1.379) 4.870 10.155 ( 6.562 -3.616 -0.220) 7.496 10.177 ( 2.443 6.482 2.091) 7.236 10.238 ( 0.719 -2.410 2.112) 3.285 10.408 ( -0.888 -1.303 -0.715) 1.732 10.569 ( -3.769 -5.677 0.638) 6.844 10.599 ( 0.183 -5.506 -0.138) 5.511 10.715 ( 2.321 -0.433 0.586) 2.433 10.882 ( 1.597 -1.582 2.943) 3.704 10.982 ( 3.039 0.198 -0.989) 3.202 11.088 ( -2.825 -7.855 4.575) 9.519 11.170 ( -1.561 5.662 0.096) 5.874 11.293 ( -4.866 3.504 -0.011) 5.996 11.874 ( 0.170 -0.621 0.743) 0.983 11.956 ( -0.980 -2.761 0.162) 2.934 12.022 ( -2.854 5.591 -3.395) 7.137 12.159 ( -0.731 0.469 -4.687) 4.766 12.196 ( 0.490 -0.791 -1.901) 2.116 12.219 ( -1.081 -1.104 -4.123) 4.403 12.316 ( 0.725 0.548 -0.963) 1.324 12.319 ( 0.347 2.309 0.335) 2.359 12.417 ( 0.191 -0.113 -7.582) 7.586 12.473 ( -3.401 1.303 -0.568) 3.686 12.611 ( 0.780 -5.346 1.441) 5.592 12.727 ( 1.183 -5.832 -1.253) 6.082 12.792 ( -0.968 -2.691 2.357) 3.706 12.907 ( -5.580 -3.887 -2.135) 7.128 12.980 ( -2.414 -1.876 5.586) 6.368 13.051 ( -0.867 -2.780 2.855) 4.079 13.120 ( -0.672 5.318 0.651) 5.400 13.216 ( -2.427 4.206 2.731) 5.571 13.352 ( 1.620 -1.655 -0.836) 2.462 13.520 ( 3.914 4.674 -2.478) 6.581 13.545 ( 0.636 -3.387 1.680) 3.834 13.611 ( 5.999 -2.995 -2.620) 7.199 13.629 ( 7.165 -0.461 -1.306) 7.298 13.748 ( 6.604 -2.214 -2.176) 7.297 13.829 ( -1.429 3.597 -2.789) 4.770 14.043 ( -9.084 3.784 3.521) 10.451 14.165 ( -8.204 8.580 0.574) 11.885 14.179 ( -2.717 -2.246 -1.760) 3.940 14.508 ( -0.439 7.659 -5.652) 9.529 14.641 ( -8.328 -2.457 -3.885) 9.512 14.747 ( 1.183 1.938 6.478) 6.864 14.837 ( 6.205 0.987 0.420) 6.297 15.072 ( 1.545 0.084 3.418) 3.752 15.281 ( 2.232 3.702 3.142) 5.344 15.301 ( -0.737 -5.938 -1.998) 6.308 15.414 ( -1.771 -3.691 -0.834) 4.178 15.480 ( -1.573 3.985 -0.545) 4.319 15.514 ( -5.516 2.692 -0.216) 6.142 15.732 ( 0.859 9.440 1.944) 9.676 15.882 ( -4.687 6.656 1.037) 8.207 16.021 ( 2.036 -0.926 5.737) 6.158 16.114 ( 0.298 -1.114 4.642) 4.783 16.262 ( 2.460 0.730 -3.669) 4.478 16.406 ( -0.735 4.736 -6.958) 8.449 16.528 ( 4.000 -6.679 2.330) 8.126 16.786 ( 2.568 -4.045 -0.845) 4.865 16.900 ( 3.633 -3.409 1.883) 5.326 17.021 ( 3.197 -5.648 0.644) 6.522 19.189 ( 0.028 1.482 1.973) 2.468 19.289 ( -1.295 -0.593 -1.266) 1.906 19.480 ( -2.999 -5.586 3.066) 7.042 19.507 ( 1.041 -5.277 -0.908) 5.455 20.971 ( 3.118 4.784 -0.258) 5.716 21.072 ( -0.668 2.422 3.121) 4.007 21.175 ( 0.088 0.832 1.279) 1.528 21.207 ( -0.419 1.013 0.178) 1.111 24.989 ( -0.381 -0.182 -0.775) 0.882 24.999 ( -0.702 -0.198 -0.651) 0.978 25.346 ( 1.446 1.202 -1.875) 2.655 25.478 ( -1.098 -3.518 -4.868) 6.106 25.888 ( 0.337 2.480 3.535) 4.331 25.935 ( 0.454 1.397 2.608) 2.994 26.069 ( -0.935 1.993 -2.575) 3.388 26.110 ( -2.050 0.210 -1.576) 2.594 26.511 ( 3.331 0.806 -0.960) 3.559 26.590 ( 2.486 -1.556 -5.559) 6.285 26.953 ( 1.216 0.165 -3.709) 3.907 27.075 ( -3.265 -3.898 -1.727) 5.370 27.248 ( 3.363 -2.152 -0.180) 3.997 27.299 ( -0.817 -2.267 0.894) 2.571 27.401 ( -0.132 0.139 2.172) 2.180 27.439 ( -1.890 -0.890 3.432) 4.018 27.553 ( 1.577 4.328 0.124) 4.608 27.661 ( 10.667 -0.506 0.127) 10.680 27.731 ( -6.518 9.646 -4.317) 12.416 27.933 ( -4.279 -0.562 -0.509) 4.346 28.014 ( -0.939 3.932 3.750) 5.514 28.086 ( 4.224 1.705 6.556) 7.983 28.192 ( 3.365 2.371 -0.030) 4.117 28.249 ( -0.708 -2.116 -1.303) 2.584 28.388 ( -0.844 -0.912 -1.508) 1.954 28.446 ( 1.642 -0.325 -0.006) 1.674 28.524 ( -2.793 0.126 -1.006) 2.971 28.627 ( -2.438 -8.239 8.829) 12.320 28.739 ( -9.461 2.919 0.247) 9.904 28.991 ( -4.348 -5.333 -3.145) 7.565 29.115 ( -5.026 8.345 5.885) 11.381 29.467 ( 3.039 -2.488 -8.769) 9.608 29.732 ( 1.449 2.013 1.029) 2.685 29.906 ( -0.750 2.673 -1.394) 3.107 30.129 ( 0.638 1.015 -1.906) 2.252 30.223 ( -8.228 -6.447 6.177) 12.141 30.492 ( 3.247 -0.135 10.799) 11.277 30.888 ( 1.658 -11.434 -3.497) 12.071 31.136 ( 7.962 4.222 -5.319) 10.464 31.251 ( 4.636 0.580 -7.135) 8.529 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 2.673 13.479 4.742) 14.537 2.250 ( -8.532 6.181 4.376) 11.408 2.406 ( 10.057 0.459 12.543) 16.084 2.527 ( 9.244 -3.745 1.479) 10.083 2.536 ( 7.667 2.339 7.548) 11.010 2.643 ( -8.617 5.157 -4.235) 10.899 2.727 ( 16.010 2.119 12.803) 20.609 2.862 ( 6.304 1.536 2.780) 7.060 3.027 ( 6.178 3.074 -0.174) 6.902 3.142 ( 0.348 3.507 0.189) 3.530 3.222 ( -3.823 -4.676 -2.489) 6.532 3.287 ( -0.977 1.792 5.189) 5.576 3.391 ( 0.114 -11.526 -8.236) 14.167 3.449 ( -4.003 6.437 -8.890) 11.683 3.584 ( 5.630 -1.117 3.742) 6.851 3.656 ( -4.112 -3.053 1.103) 5.239 3.748 ( -0.140 -2.186 4.526) 5.029 3.796 ( -4.815 0.803 3.677) 6.112 3.890 ( -3.601 -0.938 -5.084) 6.301 3.904 ( -1.474 4.187 -5.606) 7.151 4.078 ( -2.179 -8.849 3.892) 9.909 4.183 ( 3.475 2.796 5.821) 7.334 4.235 ( 1.965 -2.870 -7.188) 7.986 4.301 ( -6.979 7.071 -1.462) 10.042 4.340 ( -5.012 -3.953 2.397) 6.818 4.381 ( 4.880 -7.562 -1.648) 9.149 4.438 ( 0.386 1.162 4.057) 4.238 4.513 ( 0.539 2.698 2.345) 3.615 4.544 ( -7.228 4.079 3.945) 9.189 4.585 ( -8.300 3.873 2.024) 9.380 4.640 ( 3.253 2.949 -4.286) 6.136 4.746 ( -0.069 2.572 -4.172) 4.902 4.775 ( -0.767 2.844 -3.261) 4.394 4.845 ( 6.085 8.138 -7.450) 12.600 4.954 ( 0.966 2.354 -4.772) 5.408 4.989 ( -3.189 -4.011 -7.776) 9.312 5.070 ( 1.315 3.333 5.576) 6.628 5.133 ( 2.282 -3.219 1.946) 4.399 5.178 ( -5.580 1.407 2.535) 6.288 5.270 ( -0.757 -3.912 0.708) 4.047 5.334 ( 2.742 0.654 -3.376) 4.398 5.380 ( 0.502 2.455 -2.752) 3.722 5.444 ( 0.532 -2.444 6.682) 7.135 5.514 ( 3.346 -0.769 0.132) 3.435 5.542 ( 0.420 2.394 1.927) 3.102 5.630 ( 2.081 -2.285 -6.414) 7.120 5.661 ( 2.398 -5.624 0.871) 6.175 5.755 ( -1.153 0.274 -6.309) 6.419 5.900 ( 1.831 3.035 1.341) 3.790 5.918 ( 2.708 -2.782 0.558) 3.922 5.979 ( 2.654 3.078 1.577) 4.359 5.992 ( -1.504 -0.972 1.476) 2.321 6.077 ( -5.398 3.368 -2.883) 6.985 6.148 ( 0.073 -1.773 -2.079) 2.734 6.187 ( 0.517 -4.534 0.543) 4.596 6.277 ( -3.422 0.071 -8.176) 8.863 6.343 ( -2.342 -3.317 1.425) 4.304 6.422 ( -1.043 -2.226 -5.231) 5.780 6.589 ( -0.229 -2.095 3.481) 4.069 6.653 ( -1.540 -4.048 -4.000) 5.896 6.753 ( -6.578 -1.738 5.226) 8.579 6.779 ( -1.140 -4.929 3.099) 5.932 6.837 ( 2.074 -1.596 0.877) 2.760 6.912 ( -1.069 -2.729 -3.401) 4.490 7.029 ( -3.484 2.485 5.357) 6.857 7.115 ( 2.768 4.415 -3.785) 6.441 7.261 ( -2.705 -0.819 2.879) 4.035 7.345 ( 4.503 -0.146 -2.916) 5.367 7.510 ( 0.492 -0.075 2.382) 2.434 7.578 ( -0.246 -0.959 -2.356) 2.555 7.635 ( 1.584 0.644 1.927) 2.576 7.708 ( 4.338 1.406 -3.316) 5.638 7.793 ( -2.057 0.598 -0.738) 2.265 7.853 ( -1.992 -2.259 -4.543) 5.451 7.980 ( 0.230 -7.029 5.017) 8.639 8.065 ( 0.510 -4.481 -3.478) 5.696 8.279 ( -3.765 4.124 1.670) 5.828 8.320 ( 3.102 2.600 -2.245) 4.629 8.425 ( 2.528 6.156 5.297) 8.505 8.508 ( 0.491 6.070 -3.041) 6.807 8.618 ( -1.486 0.971 -0.025) 1.775 8.622 ( 1.945 2.223 0.090) 2.956 8.901 ( 0.492 -0.144 2.854) 2.900 8.948 ( -0.959 0.893 -0.877) 1.577 8.983 ( 1.008 0.104 4.098) 4.221 9.087 ( 1.408 -1.445 -4.714) 5.128 9.205 ( -0.852 1.943 0.929) 2.316 9.242 ( 0.463 -0.256 -2.286) 2.347 9.376 ( -1.931 -1.206 1.180) 2.564 9.402 ( -0.483 2.007 -0.946) 2.271 9.555 ( -0.353 -1.132 6.078) 6.193 9.609 ( -1.777 -2.273 0.317) 2.902 9.747 ( 1.989 1.406 1.374) 2.797 9.765 ( 0.528 -0.555 0.005) 0.766 9.965 ( 1.969 1.919 2.125) 3.475 9.981 ( 0.550 1.887 1.125) 2.265 10.192 ( -1.938 -0.783 2.602) 3.338 10.245 ( 3.138 -0.625 -2.325) 3.955 10.307 ( 0.223 -2.706 4.838) 5.548 10.380 ( 0.329 -1.721 -2.371) 2.948 10.559 ( 0.656 -4.287 1.739) 4.673 10.593 ( 0.494 -5.301 -1.824) 5.628 10.834 ( 6.224 -0.399 5.647) 8.413 10.908 ( -3.859 -6.655 1.422) 7.823 11.021 ( 2.338 1.820 -0.477) 3.001 11.054 ( -3.536 -2.916 -0.946) 4.680 11.142 ( -0.591 1.927 1.704) 2.640 11.187 ( -2.863 2.926 -2.318) 4.704 11.894 ( 0.918 0.421 2.084) 2.316 11.953 ( 0.405 1.382 -2.696) 3.057 11.982 ( 0.927 -1.093 1.990) 2.453 12.054 ( -4.312 -1.586 -4.621) 6.516 12.186 ( 0.866 -0.959 -1.766) 2.188 12.194 ( 0.718 -2.752 -2.634) 3.877 12.305 ( -2.624 0.911 0.709) 2.867 12.348 ( -1.989 1.448 -3.441) 4.230 12.356 ( 3.442 5.230 1.452) 6.427 12.413 ( -0.104 4.620 -3.676) 5.905 12.650 ( -0.183 -7.903 3.718) 8.736 12.709 ( -1.081 -6.596 -1.846) 6.935 12.792 ( -2.471 -1.640 1.521) 3.333 12.842 ( 2.789 -1.776 -3.263) 4.645 12.994 ( -4.340 -2.851 7.494) 9.118 13.071 ( 3.091 -2.567 0.270) 4.027 13.133 ( 0.523 4.825 1.033) 4.962 13.204 ( 0.193 6.747 -1.809) 6.988 13.352 ( -1.670 -3.464 3.192) 4.998 13.504 ( 1.411 -5.234 -7.975) 9.643 13.574 ( 0.979 0.058 0.691) 1.199 13.626 ( 0.668 -2.452 -3.156) 4.052 13.765 ( -4.485 -0.891 2.137) 5.047 13.803 ( 5.541 -1.459 0.255) 5.735 13.890 ( 7.525 2.308 2.764) 8.342 13.940 ( -9.517 -0.552 -0.591) 9.551 14.072 ( 1.841 7.562 4.196) 8.842 14.150 ( 1.880 5.072 -3.261) 6.316 14.443 ( -0.884 3.662 -2.547) 4.547 14.479 ( -2.242 3.984 -5.960) 7.512 14.814 ( -2.156 -1.191 6.645) 7.087 14.907 ( 2.999 0.848 -2.629) 4.078 15.129 ( 0.019 -1.724 4.539) 4.855 15.239 ( 0.339 -5.215 -6.585) 8.407 15.359 ( 2.314 2.622 3.352) 4.844 15.381 ( -2.038 0.961 1.354) 2.629 15.453 ( -0.787 3.851 -0.510) 3.964 15.470 ( 1.395 1.568 -2.078) 2.954 15.762 ( -1.121 11.075 3.644) 11.712 15.824 ( -0.904 8.242 -1.410) 8.411 16.092 ( 0.299 -2.426 5.174) 5.722 16.157 ( -0.461 -3.615 2.152) 4.232 16.243 ( -1.728 3.583 -0.820) 4.062 16.344 ( 1.412 1.913 -6.556) 6.974 16.614 ( -0.047 -3.513 7.395) 8.187 16.766 ( 0.425 -0.338 -6.534) 6.556 16.976 ( 1.689 -6.745 3.397) 7.739 17.033 ( -1.063 -6.477 -2.107) 6.894 19.206 ( -0.697 0.041 2.462) 2.559 19.256 ( 0.482 0.599 -2.552) 2.665 19.459 ( -2.856 -5.674 3.791) 7.397 19.523 ( 2.588 -6.099 -2.283) 7.008 21.030 ( -0.298 5.243 2.078) 5.648 21.062 ( 1.158 5.687 -1.041) 5.896 21.189 ( -0.201 -0.226 2.322) 2.342 21.212 ( -0.332 -0.160 0.006) 0.368 24.975 ( -0.544 -0.310 -0.145) 0.643 24.982 ( -0.382 -0.343 -0.713) 0.879 25.356 ( 0.715 0.910 0.204) 1.175 25.399 ( -2.177 -0.274 -4.103) 4.653 25.937 ( 0.649 2.277 4.478) 5.066 25.982 ( 1.145 0.658 3.253) 3.510 26.027 ( -0.421 1.396 -3.168) 3.488 26.056 ( -1.550 0.127 -2.862) 3.258 26.546 ( 1.436 -0.159 -0.560) 1.550 26.578 ( 1.451 -1.057 -4.137) 4.510 26.968 ( 2.825 -2.164 -1.215) 3.760 26.979 ( -3.848 -2.560 -2.421) 5.218 27.282 ( -2.283 -1.845 1.080) 3.127 27.296 ( 1.558 -2.297 -0.042) 2.775 27.422 ( -1.071 0.537 2.157) 2.468 27.425 ( -0.107 0.359 1.587) 1.630 27.569 ( -2.836 7.685 1.751) 8.376 27.627 ( 0.518 5.855 -2.974) 6.587 27.794 ( -6.157 -2.032 -0.381) 6.495 27.815 ( 5.494 -1.957 -1.143) 5.943 28.057 ( -0.171 3.326 5.341) 6.294 28.146 ( 1.111 2.840 -3.196) 4.418 28.250 ( 1.074 -2.366 2.461) 3.579 28.292 ( 0.887 -1.172 0.116) 1.475 28.400 ( -0.683 2.015 3.676) 4.247 28.465 ( 2.019 1.851 -0.643) 2.813 28.523 ( 3.600 0.658 2.244) 4.293 28.565 ( -5.903 2.084 -2.521) 6.748 28.730 ( 1.663 -5.404 7.049) 9.036 28.886 ( -0.820 -7.210 -7.729) 10.602 29.148 ( -1.168 7.722 10.702) 13.249 29.395 ( 2.759 1.843 -13.467) 13.870 29.798 ( 1.090 1.029 5.234) 5.445 29.876 ( -0.739 2.349 -2.504) 3.512 30.131 ( -7.250 -3.592 3.380) 8.768 30.174 ( 6.625 -2.130 -0.951) 7.024 30.633 ( -1.258 -3.969 12.780) 13.441 30.835 ( -2.135 -9.337 -5.927) 11.264 31.154 ( -2.129 4.305 -1.587) 5.058 31.256 ( 6.424 -0.190 -9.575) 11.532 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -23.107 12.374 9.967) 28.042 2.106 ( -34.355 6.132 -18.527) 39.511 2.286 ( -2.680 5.722 -4.728) 7.892 2.405 ( -6.173 -3.916 -7.801) 10.691 2.549 ( -10.872 -3.671 -8.043) 14.013 2.650 ( 6.933 -0.664 -5.591) 8.931 2.867 ( 7.284 1.559 -7.595) 10.638 2.925 ( 0.356 4.665 -11.629) 12.535 3.068 ( -1.454 -3.244 -5.256) 6.346 3.153 ( -0.026 -4.097 2.882) 5.009 3.266 ( 2.936 2.848 -11.565) 12.267 3.342 ( 9.245 3.598 3.640) 10.567 3.460 ( 9.078 -3.070 9.100) 13.216 3.484 ( -0.998 1.656 -5.541) 5.868 3.487 ( -8.483 -1.954 6.580) 10.912 3.613 ( -6.549 -0.717 3.756) 7.583 3.629 ( -12.241 5.695 2.990) 13.828 3.821 ( 2.451 2.101 4.470) 5.514 3.841 ( 1.054 -0.063 4.283) 4.412 3.879 ( -3.368 6.108 -0.536) 6.996 3.952 ( -19.368 8.101 0.887) 21.012 4.130 ( -3.904 -7.765 2.772) 9.123 4.151 ( -1.402 -1.049 0.411) 1.799 4.201 ( -0.108 -2.970 -2.297) 3.756 4.366 ( -6.207 -3.475 1.806) 7.339 4.399 ( 7.687 7.234 5.623) 11.960 4.438 ( -2.111 4.217 8.113) 9.384 4.498 ( 1.834 -3.957 -0.564) 4.398 4.553 ( 0.838 -2.438 -1.634) 3.052 4.683 ( 5.060 3.824 -2.227) 6.722 4.700 ( 2.641 3.694 -1.344) 4.736 4.743 ( -0.031 3.474 3.014) 4.599 4.793 ( 8.247 1.382 1.698) 8.532 4.871 ( -3.623 -4.480 4.936) 7.587 4.971 ( 2.840 2.779 -2.027) 4.460 5.016 ( 6.885 -3.584 -2.335) 8.105 5.048 ( -1.352 -7.871 0.868) 8.033 5.138 ( 0.552 -0.607 2.577) 2.705 5.188 ( 3.685 -4.665 0.022) 5.945 5.264 ( -3.141 4.607 4.641) 7.255 5.354 ( 1.675 4.405 -3.691) 5.986 5.425 ( 10.160 2.834 -3.633) 11.156 5.494 ( -1.903 0.940 -6.096) 6.455 5.544 ( 3.327 -0.178 3.042) 4.512 5.627 ( 2.439 -1.665 -4.829) 5.660 5.663 ( 4.879 -6.001 -4.879) 9.144 5.679 ( 7.488 -1.447 -2.052) 7.898 5.765 ( 3.479 1.052 1.129) 3.806 5.820 ( -4.637 -0.906 -2.264) 5.239 5.932 ( -1.694 4.021 -2.282) 4.924 5.961 ( 0.405 -1.947 0.260) 2.006 5.988 ( -0.013 2.686 2.178) 3.458 6.123 ( 2.404 -2.220 3.877) 5.073 6.127 ( 1.521 -1.491 0.357) 2.159 6.236 ( 4.513 -0.485 -2.019) 4.968 6.263 ( 1.296 0.002 3.834) 4.047 6.350 ( 2.625 -4.915 4.896) 7.418 6.454 ( 2.960 0.786 2.866) 4.194 6.592 ( -3.221 0.185 4.269) 5.351 6.662 ( 4.037 -5.829 -1.183) 7.189 6.734 ( -1.451 4.300 7.703) 8.941 6.827 ( 2.040 -5.720 3.836) 7.183 6.849 ( -0.205 -2.483 -0.854) 2.634 6.928 ( 3.328 -3.524 -0.080) 4.848 7.025 ( -2.578 1.185 5.244) 5.962 7.124 ( 2.090 3.637 -3.060) 5.192 7.226 ( -2.377 -0.687 1.828) 3.077 7.368 ( 1.853 -2.078 -5.564) 6.222 7.437 ( -6.304 2.474 -0.707) 6.809 7.577 ( -0.422 1.205 -1.626) 2.068 7.659 ( 5.341 0.160 -1.337) 5.508 7.705 ( -2.239 -2.971 -4.246) 5.646 7.850 ( 2.604 -0.127 5.154) 5.776 7.886 ( 8.681 0.579 -1.136) 8.774 7.990 ( -0.562 -2.047 -0.168) 2.129 8.088 ( 1.625 -6.419 -0.236) 6.626 8.278 ( 3.369 2.737 1.345) 4.544 8.353 ( 2.521 1.505 -0.716) 3.022 8.460 ( 0.883 4.859 -3.528) 6.070 8.505 ( 1.665 5.356 -0.424) 5.625 8.612 ( 1.814 1.315 -2.096) 3.068 8.686 ( 4.122 1.027 0.477) 4.275 8.834 ( -5.750 3.842 0.495) 6.933 8.966 ( 0.907 -0.657 -4.432) 4.571 9.011 ( -0.939 -2.009 3.278) 3.957 9.068 ( 0.690 3.757 -1.168) 3.995 9.156 ( -2.212 2.853 -0.733) 3.683 9.261 ( -2.529 1.974 2.936) 4.348 9.353 ( -1.970 -2.456 2.661) 4.122 9.400 ( 1.197 -1.064 -1.770) 2.387 9.566 ( -4.377 -3.609 1.464) 5.859 9.584 ( -1.347 -1.467 2.681) 3.340 9.709 ( -3.129 -1.175 -3.363) 4.741 9.753 ( -1.333 -1.383 -1.810) 2.639 9.992 ( 1.069 -1.557 -3.220) 3.733 10.000 ( 1.266 2.869 -0.925) 3.270 10.133 ( -7.337 -3.573 1.092) 8.233 10.236 ( 0.542 4.147 -3.757) 5.622 10.279 ( -3.493 -3.434 -0.656) 4.942 10.399 ( 1.014 -0.437 0.054) 1.105 10.591 ( 0.984 -3.324 0.650) 3.527 10.600 ( 2.870 -5.911 -2.071) 6.890 10.759 ( -5.747 -1.708 -3.096) 6.748 10.936 ( -6.076 0.676 -1.734) 6.355 10.976 ( -1.695 -0.102 -1.445) 2.229 11.091 ( 6.995 -3.867 6.048) 10.023 11.169 ( 0.660 -2.057 -0.799) 2.303 11.243 ( 6.025 1.861 4.723) 7.879 11.892 ( -1.930 -0.691 -0.899) 2.238 11.956 ( 1.851 0.100 -1.058) 2.135 11.987 ( 1.316 2.086 -0.241) 2.479 12.062 ( 1.146 0.419 5.399) 5.536 12.166 ( -1.494 -3.193 0.465) 3.556 12.182 ( 0.655 1.737 -1.717) 2.529 12.284 ( 0.430 3.887 0.848) 4.002 12.291 ( -3.296 0.845 2.799) 4.406 12.390 ( 1.826 4.140 -3.813) 5.917 12.454 ( 3.701 3.324 2.125) 5.409 12.630 ( -2.623 -6.279 -0.167) 6.806 12.705 ( 0.723 -9.395 -0.049) 9.423 12.779 ( -0.735 0.074 3.583) 3.658 12.899 ( 5.858 -2.954 -1.903) 6.831 12.990 ( -2.231 -0.564 3.229) 3.965 13.130 ( 2.623 -2.877 -2.680) 4.726 13.157 ( -0.194 7.289 1.686) 7.484 13.206 ( 4.239 3.427 -0.622) 5.486 13.353 ( -3.661 -3.211 3.178) 5.815 13.457 ( -0.899 -4.826 -1.502) 5.133 13.572 ( -1.167 -0.730 -1.626) 2.130 13.588 ( -0.602 -1.288 -3.157) 3.462 13.641 ( -9.558 -1.630 -0.094) 9.697 13.738 ( -8.081 -2.674 -0.806) 8.550 13.826 ( -2.277 3.699 -1.062) 4.471 14.054 ( 7.084 -5.076 1.731) 8.885 14.170 ( 9.395 9.559 -0.653) 13.419 14.231 ( 6.253 7.942 -4.149) 10.926 14.435 ( 1.937 5.072 0.951) 5.512 14.536 ( 7.814 -0.268 5.104) 9.337 14.789 ( -5.745 2.091 2.385) 6.563 14.890 ( -0.590 -0.525 -4.238) 4.311 15.120 ( -2.238 -0.604 -0.657) 2.409 15.264 ( 4.828 -5.095 -0.193) 7.022 15.330 ( -2.674 3.696 -1.195) 4.716 15.426 ( 2.285 -2.328 -0.077) 3.263 15.477 ( 2.838 2.140 -0.985) 3.689 15.500 ( 4.790 3.185 0.884) 5.820 15.745 ( -2.981 11.643 1.789) 12.151 15.853 ( 3.000 7.137 1.597) 7.905 16.120 ( -1.162 -0.238 -2.834) 3.072 16.136 ( -1.628 -2.916 2.370) 4.095 16.233 ( -2.796 -1.318 7.044) 7.693 16.294 ( 0.021 0.049 -6.301) 6.301 16.604 ( -5.001 1.993 -0.732) 5.434 16.761 ( 2.783 -2.786 0.692) 3.998 16.948 ( -5.242 -5.602 -3.364) 8.377 17.006 ( -1.737 -6.607 2.207) 7.180 19.207 ( -0.912 0.499 0.905) 1.379 19.272 ( 2.979 -0.300 -0.543) 3.043 19.459 ( -1.804 -5.756 3.362) 6.906 19.553 ( 4.024 -6.468 -3.096) 8.223 20.976 ( -3.888 6.071 -0.405) 7.221 21.121 ( 3.544 4.389 -1.433) 5.820 21.186 ( -1.758 -1.146 0.058) 2.099 21.198 ( -1.286 1.403 1.171) 2.234 24.973 ( -0.406 -0.465 1.193) 1.343 24.978 ( 0.211 -0.592 0.774) 0.997 25.330 ( -2.636 1.531 -0.742) 3.137 25.381 ( -0.254 -0.313 3.512) 3.535 25.969 ( -0.436 1.728 -3.890) 4.279 25.993 ( 0.567 2.059 0.232) 2.148 26.006 ( -0.502 0.783 0.217) 0.955 26.056 ( 1.823 -0.217 3.756) 4.180 26.538 ( -0.764 -0.842 -1.584) 1.950 26.552 ( -0.637 -1.278 -3.492) 3.773 26.905 ( -2.142 0.700 0.639) 2.343 27.040 ( 3.911 -4.199 1.438) 5.915 27.231 ( -4.428 -1.297 1.112) 4.747 27.307 ( -0.249 -2.890 0.321) 2.918 27.412 ( -0.389 1.875 0.223) 1.928 27.473 ( 0.549 0.694 2.742) 2.882 27.520 ( -3.540 3.849 2.834) 5.948 27.645 ( -2.508 4.608 -2.293) 5.726 27.673 ( -1.433 2.364 2.675) 3.847 27.921 ( 5.444 -2.849 0.610) 6.175 28.089 ( -1.262 3.124 0.554) 3.414 28.124 ( 1.017 2.222 -1.846) 3.063 28.249 ( -1.561 -1.832 -0.414) 2.443 28.275 ( -2.434 0.792 -4.903) 5.531 28.367 ( -4.086 1.794 0.576) 4.499 28.421 ( -2.464 1.071 1.196) 2.941 28.516 ( 4.553 2.673 -0.605) 5.315 28.734 ( 10.860 0.080 1.461) 10.958 28.760 ( -1.508 -8.540 -2.044) 8.910 28.896 ( 6.844 -5.258 1.446) 8.750 29.261 ( 1.181 5.324 9.430) 10.894 29.330 ( 5.643 5.646 -12.155) 14.542 29.801 ( -3.298 -0.561 -2.906) 4.431 29.864 ( 0.615 2.314 2.112) 3.193 30.075 ( -2.509 2.145 3.121) 4.542 30.310 ( 9.576 -7.312 -2.159) 12.241 30.645 ( -9.085 -6.208 1.868) 11.161 30.755 ( -2.086 -7.433 3.366) 8.421 31.063 ( -7.042 5.918 0.570) 9.216 31.261 ( 3.602 -1.918 -7.686) 8.702 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -30.301 12.672 -7.324) 33.651 1.711 ( -24.837 14.177 16.770) 33.153 2.065 ( -11.098 -12.985 -3.344) 17.406 2.160 ( -0.764 6.172 -12.042) 13.553 2.485 ( 0.248 -4.595 -1.976) 5.008 2.646 ( 5.425 4.765 -14.281) 16.002 2.758 ( 0.972 8.025 -13.202) 15.480 2.823 ( -5.864 -8.586 1.984) 10.585 2.975 ( -1.678 -2.216 -4.415) 5.217 3.086 ( -23.353 7.902 10.204) 26.682 3.191 ( 1.662 -3.887 -2.804) 5.073 3.263 ( -2.794 3.622 -0.397) 4.591 3.422 ( -1.717 -3.934 2.438) 4.936 3.461 ( -4.303 7.665 0.990) 8.846 3.568 ( 6.722 -2.268 -4.777) 8.553 3.646 ( 0.745 7.127 6.207) 9.480 3.720 ( 4.742 -0.879 5.027) 6.967 3.749 ( -5.482 1.147 3.272) 6.487 3.801 ( -1.909 10.067 -1.514) 10.358 3.847 ( 0.066 5.158 -2.738) 5.840 3.897 ( -0.872 -0.662 3.427) 3.598 4.121 ( 1.771 -2.029 0.800) 2.809 4.138 ( -2.042 -2.808 -3.154) 4.691 4.200 ( -3.611 -4.313 6.051) 8.262 4.335 ( -1.016 -9.172 6.680) 11.392 4.449 ( -4.702 -0.388 5.549) 7.283 4.499 ( -0.389 -0.996 -7.508) 7.584 4.545 ( 3.334 7.032 -2.620) 8.211 4.579 ( 3.125 4.900 3.224) 6.646 4.716 ( 4.194 2.521 1.911) 5.253 4.760 ( 1.371 3.210 1.362) 3.747 4.811 ( 2.803 -1.057 4.218) 5.174 4.868 ( 2.698 -2.576 -0.121) 3.732 4.919 ( -0.982 0.917 4.395) 4.595 4.972 ( 3.600 -7.856 -1.313) 8.741 4.991 ( 0.584 -5.163 -2.495) 5.764 5.168 ( 1.004 -2.864 2.538) 3.956 5.181 ( -1.431 -1.880 0.458) 2.407 5.224 ( -0.139 1.664 0.376) 1.711 5.284 ( 1.290 1.821 -3.710) 4.329 5.335 ( 1.160 3.191 -1.751) 3.821 5.414 ( 1.944 1.567 -0.208) 2.505 5.507 ( 4.985 0.859 -8.915) 10.250 5.564 ( 0.320 1.199 -3.820) 4.017 5.592 ( 0.659 1.298 -1.302) 1.953 5.698 ( 3.393 0.974 -5.391) 6.444 5.758 ( 2.194 -5.876 -1.650) 6.486 5.788 ( 0.946 -0.755 1.901) 2.254 5.828 ( 2.552 -0.392 0.483) 2.627 5.935 ( 1.092 4.017 -3.316) 5.322 5.974 ( 0.561 2.417 1.643) 2.976 6.077 ( 9.789 -2.539 1.203) 10.184 6.124 ( -1.658 -2.591 -2.858) 4.199 6.197 ( 3.985 -2.760 -0.073) 4.848 6.263 ( 1.305 -3.249 1.288) 3.731 6.352 ( 2.484 -4.487 1.855) 5.454 6.451 ( 1.749 -2.136 1.988) 3.402 6.528 ( 1.054 2.203 4.406) 5.038 6.605 ( -3.013 -0.369 7.221) 7.833 6.705 ( 2.718 -2.466 -0.427) 3.695 6.811 ( -1.583 3.577 9.908) 10.652 6.850 ( 0.124 -1.961 1.583) 2.523 6.871 ( -1.405 -0.425 -2.728) 3.098 6.977 ( 1.280 2.256 4.214) 4.948 7.068 ( 3.140 -2.019 0.908) 3.842 7.145 ( 2.429 -0.583 0.019) 2.498 7.234 ( 1.967 0.270 -1.007) 2.226 7.299 ( -0.342 -1.975 -4.417) 4.851 7.397 ( -1.098 2.644 3.924) 4.858 7.531 ( -1.651 3.968 -4.456) 6.191 7.593 ( -3.616 -3.827 -5.354) 7.509 7.748 ( 4.651 -1.569 -2.443) 5.484 7.919 ( 2.119 3.568 0.345) 4.164 7.998 ( 3.339 3.603 2.271) 5.412 8.024 ( 0.491 -4.424 4.002) 5.986 8.107 ( 1.845 -1.800 1.829) 3.160 8.373 ( 3.101 -2.047 -4.284) 5.671 8.399 ( 6.839 -0.676 -0.197) 6.875 8.477 ( 4.597 6.426 -1.100) 7.977 8.543 ( 3.991 3.989 -0.249) 5.649 8.620 ( 2.934 -0.442 -3.350) 4.476 8.763 ( 3.229 -0.653 1.883) 3.795 8.765 ( -1.104 2.343 0.572) 2.652 8.937 ( 3.602 1.796 -6.254) 7.437 9.000 ( -4.108 2.141 2.157) 5.110 9.076 ( -0.880 7.682 0.863) 7.780 9.102 ( -4.371 1.635 0.520) 4.696 9.214 ( -7.207 0.139 7.231) 10.210 9.353 ( -1.988 -2.063 2.472) 3.784 9.380 ( 1.231 -3.558 -5.721) 6.848 9.484 ( -5.224 -6.337 0.670) 8.240 9.556 ( -2.682 0.802 -0.648) 2.873 9.651 ( -3.034 -6.549 -3.917) 8.212 9.702 ( 1.825 -7.845 -2.095) 8.323 9.928 ( -3.093 1.172 -6.501) 7.294 9.978 ( -2.051 1.055 -1.624) 2.821 10.028 ( -3.039 -1.032 0.813) 3.310 10.213 ( -1.117 -0.409 -3.853) 4.033 10.244 ( 3.032 2.814 0.191) 4.141 10.401 ( -1.072 0.097 1.413) 1.776 10.589 ( -1.470 -5.234 -0.120) 5.437 10.637 ( 2.206 -2.953 -0.471) 3.716 10.707 ( 1.865 -1.889 0.946) 2.818 10.857 ( -1.831 1.720 0.858) 2.654 10.914 ( -3.176 -1.260 0.289) 3.429 11.149 ( -0.577 -6.927 -2.488) 7.383 11.227 ( 4.204 1.117 -1.377) 4.563 11.345 ( 0.889 0.872 0.235) 1.267 11.865 ( -1.020 0.020 0.702) 1.239 11.999 ( 3.386 -4.112 0.499) 5.351 12.053 ( 3.694 6.476 2.521) 7.870 12.075 ( -3.184 2.643 4.245) 5.929 12.165 ( -0.828 -3.037 1.649) 3.553 12.228 ( 2.961 2.720 3.577) 5.382 12.274 ( -1.642 4.005 4.350) 6.136 12.346 ( 3.971 0.201 1.683) 4.317 12.392 ( 1.016 3.631 -1.370) 4.012 12.496 ( -0.024 2.926 0.891) 3.059 12.612 ( 1.108 -5.394 -0.629) 5.543 12.715 ( 0.525 -5.682 -0.447) 5.723 12.809 ( 0.208 -2.417 1.330) 2.766 12.978 ( -0.210 -0.600 -0.823) 1.040 13.013 ( 6.543 -1.671 2.712) 7.277 13.111 ( -1.714 -0.433 -1.476) 2.302 13.166 ( 2.439 4.816 -1.133) 5.516 13.260 ( -6.427 -1.527 -0.864) 6.662 13.307 ( 2.399 0.485 1.798) 3.037 13.404 ( -6.097 1.577 3.410) 7.162 13.464 ( -5.991 1.110 0.579) 6.120 13.519 ( -3.840 -4.468 0.412) 5.905 13.607 ( 3.480 -3.065 -5.044) 6.852 13.658 ( 0.649 -2.467 -0.329) 2.572 13.841 ( 3.207 5.533 3.421) 7.253 14.188 ( 5.134 -8.338 1.965) 9.987 14.261 ( 4.294 8.601 -4.629) 10.669 14.318 ( 7.879 9.400 -1.694) 12.382 14.501 ( 2.461 5.668 1.928) 6.473 14.657 ( -5.732 5.191 1.318) 7.845 14.761 ( 5.096 -2.860 2.632) 6.410 14.826 ( 0.583 -0.420 -5.047) 5.098 15.073 ( -0.954 1.144 -3.069) 3.411 15.280 ( -0.676 4.154 -2.152) 4.727 15.325 ( 2.042 -4.488 -0.779) 4.992 15.452 ( 2.261 -2.268 -1.921) 3.734 15.524 ( 3.143 3.220 0.161) 4.503 15.630 ( 7.460 -0.356 0.212) 7.472 15.710 ( -2.564 8.714 1.379) 9.188 15.921 ( 0.899 3.843 2.959) 4.933 16.039 ( -1.379 0.613 -4.943) 5.169 16.140 ( -0.375 -1.990 0.803) 2.178 16.204 ( -1.911 -0.375 -2.678) 3.311 16.290 ( -3.006 -6.449 7.981) 10.692 16.510 ( -2.075 4.753 -3.928) 6.506 16.769 ( -3.003 -7.268 -4.470) 9.046 16.828 ( -4.874 -1.326 0.640) 5.092 16.964 ( -3.976 -4.155 -0.509) 5.773 19.202 ( 0.194 1.752 -0.838) 1.952 19.321 ( 2.153 -1.615 -1.048) 2.888 19.441 ( -3.496 -5.079 1.706) 6.398 19.587 ( 3.509 -6.999 -3.901) 8.747 20.921 ( -2.033 5.598 0.591) 5.985 21.100 ( -1.539 1.317 -3.129) 3.727 21.150 ( -2.763 0.193 0.091) 2.771 21.223 ( 1.919 1.794 1.731) 3.146 24.975 ( -0.694 -0.115 1.211) 1.401 25.013 ( 1.812 -1.817 1.920) 3.205 25.294 ( -2.155 1.765 1.888) 3.365 25.421 ( -1.371 -3.198 6.737) 7.583 25.919 ( -0.281 2.010 -4.188) 4.654 25.957 ( 0.082 1.360 -2.897) 3.201 26.062 ( 1.767 2.995 3.509) 4.940 26.123 ( 1.699 -0.254 3.138) 3.578 26.465 ( -4.318 -0.459 -4.158) 6.012 26.522 ( -0.920 -1.514 1.723) 2.471 26.918 ( 0.908 2.836 2.950) 4.191 27.099 ( -0.060 -2.293 0.698) 2.398 27.184 ( -1.739 -3.062 2.368) 4.244 27.290 ( -2.852 -4.094 0.990) 5.087 27.390 ( -3.892 3.374 1.019) 5.251 27.449 ( -4.118 0.648 -0.192) 4.174 27.495 ( -4.201 -0.014 -1.412) 4.432 27.550 ( 1.267 -1.617 -1.234) 2.396 27.816 ( 8.913 12.254 6.101) 16.335 27.949 ( -4.214 0.460 -3.661) 5.601 28.042 ( -0.055 -0.151 -1.704) 1.712 28.135 ( 2.194 4.349 -3.276) 5.870 28.139 ( -2.665 4.560 -0.870) 5.353 28.273 ( 3.240 -2.726 -0.252) 4.242 28.354 ( -2.082 4.771 2.217) 5.658 28.416 ( 0.072 -5.762 1.761) 6.026 28.597 ( 5.734 -0.048 -0.303) 5.743 28.733 ( 2.037 -12.149 -2.125) 12.501 28.916 ( 9.914 0.964 0.799) 9.992 29.060 ( 8.652 -3.405 2.794) 9.709 29.306 ( 4.906 4.070 -5.936) 8.710 29.392 ( 4.304 5.608 1.165) 7.164 29.699 ( -4.455 -0.142 -2.610) 5.166 29.891 ( -0.369 1.324 2.973) 3.276 30.097 ( -0.160 5.018 4.395) 6.672 30.388 ( -0.994 -11.461 -4.725) 12.436 30.471 ( -3.597 -0.200 -4.052) 5.422 30.768 ( -3.476 -10.008 6.665) 12.516 30.939 ( -8.441 7.448 1.580) 11.368 31.208 ( -2.193 -2.549 -6.082) 6.950 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 11.348 14.328 38.565) 42.677 1.528 ( -18.267 16.668 22.279) 33.284 2.030 ( 4.111 -1.047 -10.416) 11.247 2.140 ( 6.633 -8.082 13.811) 17.323 2.490 ( 3.799 -5.584 -0.948) 6.820 2.587 ( 0.937 3.820 -8.570) 9.429 2.707 ( -1.291 4.936 0.457) 5.123 2.779 ( -19.903 17.170 18.576) 32.188 2.875 ( 8.279 -2.399 -2.349) 8.934 2.963 ( -2.009 -5.079 4.688) 7.198 3.231 ( 3.088 -5.742 1.178) 6.625 3.292 ( 5.997 -0.363 1.901) 6.302 3.398 ( -1.862 -1.899 3.870) 4.696 3.489 ( 4.286 7.465 -0.052) 8.608 3.601 ( -9.013 -4.326 0.205) 10.000 3.648 ( 6.792 -0.236 -3.827) 7.800 3.715 ( -1.948 7.269 -1.507) 7.675 3.782 ( 3.351 -3.098 -1.105) 4.695 3.806 ( 1.341 4.634 3.324) 5.858 3.849 ( -0.835 4.312 -0.731) 4.452 3.901 ( -4.945 -1.502 7.164) 8.833 4.035 ( -4.783 -0.942 -4.434) 6.590 4.180 ( 3.810 -0.537 2.259) 4.462 4.217 ( 0.723 -0.739 4.056) 4.186 4.303 ( -5.543 0.660 -11.837) 13.087 4.373 ( 0.307 1.561 -4.907) 5.158 4.453 ( -2.325 -7.736 5.928) 10.019 4.566 ( 3.037 4.341 -3.398) 6.295 4.665 ( 1.401 -0.295 6.451) 6.608 4.724 ( -5.430 -0.414 0.127) 5.447 4.784 ( -3.723 3.147 -4.447) 6.599 4.840 ( 3.842 -0.664 -1.322) 4.117 4.918 ( -3.268 4.009 -0.618) 5.209 4.933 ( 5.579 4.030 -4.659) 8.311 4.946 ( -1.006 -4.122 1.851) 4.629 5.038 ( -0.406 -2.404 1.538) 2.882 5.094 ( 4.833 -4.526 -7.614) 10.090 5.183 ( -2.421 5.345 2.746) 6.478 5.239 ( -0.940 0.646 -1.002) 1.519 5.293 ( 1.784 -4.916 4.488) 6.891 5.338 ( -2.017 3.253 1.147) 3.996 5.415 ( -1.371 -1.141 -3.317) 3.766 5.523 ( 4.796 0.887 -4.091) 6.366 5.530 ( -2.674 -3.178 -3.095) 5.180 5.602 ( 5.368 -3.127 -2.888) 6.851 5.636 ( -3.868 5.588 -4.610) 8.212 5.740 ( 0.729 -1.524 -6.198) 6.424 5.827 ( 0.025 1.121 0.097) 1.125 5.862 ( -0.950 2.218 3.275) 4.068 5.911 ( 2.407 0.928 -2.052) 3.296 6.003 ( 3.781 -2.563 -5.321) 7.013 6.114 ( 2.110 1.621 -3.315) 4.251 6.186 ( -4.336 -6.736 -6.481) 10.305 6.203 ( 1.160 -3.857 0.316) 4.040 6.238 ( 0.074 -2.396 2.116) 3.198 6.374 ( -1.915 -5.280 -5.784) 8.062 6.476 ( 0.067 -5.813 1.047) 5.907 6.560 ( -6.151 -0.834 6.641) 9.090 6.612 ( 6.037 0.836 -1.587) 6.298 6.716 ( -8.368 1.210 -3.297) 9.075 6.772 ( 3.060 0.897 1.875) 3.699 6.862 ( -1.405 -2.647 2.457) 3.874 6.886 ( 1.654 2.995 3.389) 4.815 7.037 ( -0.163 4.029 5.747) 7.020 7.097 ( -0.242 3.343 -0.175) 3.356 7.192 ( 4.724 -2.057 -0.332) 5.163 7.276 ( -1.409 -0.008 -0.623) 1.540 7.303 ( 3.902 -1.428 3.176) 5.230 7.452 ( 4.087 1.734 -1.564) 4.707 7.469 ( -1.810 1.254 -2.352) 3.222 7.490 ( -1.815 -1.598 -0.720) 2.523 7.751 ( 0.938 -2.218 -5.870) 6.345 7.967 ( 3.115 2.184 -1.158) 3.976 7.984 ( -4.878 4.070 2.660) 6.887 8.073 ( 0.600 0.947 0.985) 1.493 8.175 ( -0.499 -1.584 5.322) 5.575 8.373 ( 2.778 0.473 -4.495) 5.305 8.469 ( 3.118 0.313 -1.925) 3.678 8.575 ( 5.317 4.737 1.047) 7.197 8.611 ( 2.813 6.957 -0.135) 7.505 8.685 ( 7.953 -1.237 -1.980) 8.289 8.804 ( 3.603 0.470 -0.191) 3.639 8.828 ( 2.186 -2.094 -2.015) 3.637 8.913 ( -6.025 3.514 0.172) 6.977 8.963 ( 3.475 -5.551 -0.192) 6.552 9.038 ( -1.839 4.326 0.170) 4.704 9.072 ( -2.020 0.188 5.124) 5.511 9.181 ( -6.864 0.636 4.788) 8.393 9.302 ( -2.817 -4.643 -2.154) 5.842 9.368 ( 0.021 -1.873 -1.129) 2.187 9.444 ( 2.998 -2.191 0.561) 3.756 9.520 ( -1.563 -2.317 0.951) 2.952 9.573 ( -1.174 -1.790 1.175) 2.442 9.718 ( 0.416 -5.394 -3.465) 6.424 9.824 ( -3.873 3.195 -0.137) 5.022 9.945 ( 0.285 0.725 -3.557) 3.641 10.020 ( 1.973 1.280 -0.538) 2.412 10.150 ( -1.881 -1.868 -3.331) 4.257 10.347 ( 6.486 -2.617 1.669) 7.190 10.409 ( -0.986 -1.277 3.839) 4.164 10.584 ( -0.311 -4.651 3.533) 5.849 10.667 ( 2.352 -1.054 0.136) 2.581 10.791 ( 3.617 -5.650 3.575) 7.602 10.890 ( 1.445 0.868 0.555) 1.775 10.901 ( 0.792 -1.597 6.113) 6.368 11.109 ( -1.044 -4.657 -1.666) 5.055 11.219 ( -0.330 1.584 -5.815) 6.036 11.295 ( -3.063 2.487 -3.136) 5.040 11.857 ( -0.012 1.506 -0.263) 1.529 12.013 ( -3.660 -6.578 0.281) 7.533 12.064 ( 1.280 0.200 -0.344) 1.341 12.154 ( 4.405 6.756 3.749) 8.894 12.161 ( -2.130 -4.609 0.914) 5.159 12.301 ( -0.280 3.583 3.765) 5.205 12.350 ( 3.714 3.972 6.183) 8.234 12.376 ( -1.944 3.959 0.739) 4.472 12.438 ( 2.872 0.472 0.358) 2.932 12.500 ( 1.440 2.997 -0.323) 3.341 12.630 ( 1.921 -2.076 -2.576) 3.825 12.715 ( 0.683 -5.055 0.061) 5.102 12.805 ( -1.292 -1.414 -0.753) 2.058 12.955 ( -1.131 -2.662 -3.372) 4.442 13.022 ( -1.586 3.236 -1.180) 3.792 13.142 ( -6.020 0.744 2.920) 6.732 13.184 ( 2.155 -1.356 2.911) 3.868 13.228 ( 3.412 0.695 1.795) 3.918 13.290 ( -2.924 -0.144 -1.980) 3.534 13.362 ( -0.685 -1.344 4.778) 5.010 13.467 ( -0.007 2.928 6.943) 7.535 13.530 ( 5.870 -2.848 -1.260) 6.645 13.620 ( 3.712 -0.167 -4.504) 5.839 13.686 ( 2.853 -1.631 -1.597) 3.654 13.980 ( 5.500 4.426 7.603) 10.375 14.220 ( -1.993 -2.320 0.514) 3.101 14.303 ( 2.590 3.819 -1.674) 4.909 14.383 ( 3.052 7.054 -3.756) 8.555 14.497 ( -6.175 6.904 -1.382) 9.365 14.557 ( -0.587 5.975 -3.189) 6.799 14.807 ( 4.191 -0.032 -1.108) 4.335 14.888 ( 3.189 -7.481 0.471) 8.146 15.034 ( 1.208 4.568 -3.826) 6.080 15.267 ( 0.659 4.019 -1.998) 4.537 15.319 ( -0.416 -2.780 -2.076) 3.494 15.448 ( -0.861 0.749 -3.745) 3.915 15.574 ( 1.703 4.675 0.901) 5.056 15.632 ( -1.687 7.557 0.333) 7.750 15.768 ( 2.574 -5.125 0.084) 5.736 15.885 ( -1.040 -1.927 -4.123) 4.669 16.070 ( 5.176 0.637 0.501) 5.239 16.130 ( 0.354 -1.696 -2.912) 3.388 16.170 ( -2.366 -1.920 2.035) 3.664 16.266 ( -6.945 -7.687 4.915) 11.467 16.483 ( 2.130 4.858 -2.084) 5.700 16.637 ( -5.635 -1.838 -3.388) 6.827 16.746 ( -4.256 -1.384 -1.583) 4.747 16.835 ( -8.169 -1.556 -4.726) 9.565 19.187 ( -1.295 2.352 -1.368) 3.013 19.239 ( -5.368 2.661 -4.954) 7.774 19.443 ( 0.279 -4.905 3.950) 6.304 19.589 ( 1.443 -7.678 -3.953) 8.756 20.919 ( -0.153 4.678 1.721) 4.987 21.041 ( -2.709 4.827 -1.877) 5.845 21.143 ( 2.292 -4.187 1.687) 5.063 21.260 ( 0.318 -1.730 0.943) 1.996 24.976 ( -0.750 0.623 1.642) 1.909 25.053 ( 1.533 -2.707 -0.857) 3.226 25.293 ( -0.897 0.105 3.189) 3.314 25.431 ( -4.284 -6.163 3.199) 8.159 25.883 ( 0.136 3.381 -2.779) 4.379 25.940 ( 0.192 1.757 -2.722) 3.246 26.117 ( 1.131 2.218 1.527) 2.921 26.150 ( -1.204 0.006 -0.011) 1.204 26.413 ( 1.964 2.507 5.132) 6.040 26.554 ( 1.049 -2.024 4.395) 4.951 26.970 ( 0.805 2.782 2.893) 4.094 27.048 ( -3.757 -0.405 -1.924) 4.240 27.154 ( -8.251 -1.264 0.622) 8.371 27.225 ( -0.906 -2.826 -0.826) 3.081 27.338 ( -2.880 -0.125 1.532) 3.265 27.393 ( -0.881 -0.421 -2.644) 2.819 27.425 ( 0.342 1.975 -2.674) 3.342 27.581 ( -0.673 -0.899 0.270) 1.155 27.752 ( -2.763 7.714 -5.703) 9.983 27.991 ( -2.750 -2.503 -4.708) 5.999 28.066 ( 3.320 2.929 1.940) 4.834 28.129 ( -0.767 4.289 0.929) 4.454 28.197 ( 9.468 6.919 1.950) 11.887 28.319 ( -0.561 -1.376 0.426) 1.546 28.347 ( 1.735 0.178 2.570) 3.106 28.442 ( 0.185 -6.637 0.799) 6.688 28.720 ( 7.489 -3.103 1.740) 8.291 28.793 ( 4.163 -13.569 1.957) 14.328 29.102 ( 9.620 1.958 1.772) 9.976 29.221 ( 7.394 -0.233 0.212) 7.401 29.342 ( 1.414 1.115 0.628) 1.907 29.414 ( 1.822 0.364 -9.315) 9.498 29.656 ( 1.699 7.104 5.322) 9.038 29.905 ( -2.891 -0.676 4.112) 5.072 30.128 ( -3.002 2.964 6.225) 7.520 30.253 ( -4.413 -3.973 -2.319) 6.375 30.463 ( 3.977 1.235 -3.416) 5.386 30.740 ( -6.967 -6.663 2.965) 10.086 30.839 ( -1.581 2.252 -0.994) 2.926 31.065 ( -7.743 -2.358 -4.234) 9.135 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 1.559 -13.156 6.435) 14.728 1.930 ( 1.559 13.156 6.435) 14.728 2.284 ( 8.756 -15.643 24.281) 30.182 2.284 ( 8.756 15.643 24.281) 30.182 2.429 ( 7.272 -6.785 -5.190) 11.219 2.429 ( 7.272 6.785 -5.190) 11.219 2.835 ( -1.737 -6.650 -14.083) 15.671 2.835 ( -1.737 6.650 -14.083) 15.671 3.053 ( 0.023 -2.897 8.329) 8.818 3.053 ( 0.023 2.897 8.329) 8.818 3.167 ( -5.720 -7.761 -1.398) 9.742 3.167 ( -5.720 7.761 -1.398) 9.742 3.481 ( 3.562 -3.736 5.985) 7.904 3.481 ( 3.562 3.736 5.985) 7.904 3.657 ( -7.897 -1.932 -2.196) 8.422 3.657 ( -7.897 1.932 -2.196) 8.422 3.702 ( 4.062 -1.406 2.058) 4.766 3.702 ( 4.062 1.406 2.058) 4.766 3.850 ( 0.776 -4.959 3.311) 6.014 3.850 ( 0.776 4.959 3.311) 6.014 4.034 ( 0.316 -2.424 -5.210) 5.755 4.034 ( 0.316 2.424 -5.210) 5.755 4.212 ( -0.698 -1.693 -2.769) 3.320 4.212 ( -0.698 1.693 -2.769) 3.320 4.260 ( 5.074 -10.807 13.543) 18.054 4.260 ( 5.074 10.807 13.543) 18.054 4.530 ( -6.777 -11.322 -7.121) 14.995 4.530 ( -6.777 11.322 -7.121) 14.995 4.666 ( -2.392 -2.784 3.573) 5.122 4.666 ( -2.392 2.784 3.573) 5.122 4.738 ( -0.231 -3.580 -4.720) 5.929 4.738 ( -0.231 3.580 -4.720) 5.929 4.908 ( -0.147 -5.194 1.973) 5.558 4.908 ( -0.147 5.194 1.973) 5.558 5.030 ( -0.129 -6.148 -6.453) 8.914 5.030 ( -0.129 6.148 -6.453) 8.914 5.133 ( 1.167 -1.011 -1.226) 1.972 5.133 ( 1.167 1.011 -1.226) 1.972 5.292 ( 1.258 -3.630 1.982) 4.323 5.292 ( 1.258 3.630 1.982) 4.323 5.374 ( 2.884 -3.616 -3.632) 5.881 5.374 ( 2.884 3.616 -3.632) 5.881 5.461 ( -0.551 -1.557 1.018) 1.940 5.461 ( -0.551 1.557 1.018) 1.940 5.613 ( 3.181 -3.801 -4.188) 6.489 5.613 ( 3.181 3.801 -4.188) 6.489 5.761 ( 0.669 -5.455 -0.747) 5.547 5.761 ( 0.669 5.455 -0.747) 5.547 5.898 ( -2.026 -2.705 -5.203) 6.204 5.898 ( -2.026 2.705 -5.203) 6.204 5.978 ( -0.433 -3.307 -1.744) 3.764 5.978 ( -0.433 3.307 -1.744) 3.764 6.127 ( -2.317 -0.461 -3.012) 3.828 6.127 ( -2.317 0.461 -3.012) 3.828 6.212 ( 0.796 -2.675 1.461) 3.150 6.212 ( 0.796 2.675 1.461) 3.150 6.463 ( -3.771 -4.574 -0.387) 5.941 6.463 ( -3.771 4.574 -0.387) 5.941 6.586 ( -0.509 -5.476 0.211) 5.504 6.586 ( -0.509 5.476 0.211) 5.504 6.851 ( -0.249 -1.082 4.591) 4.723 6.851 ( -0.249 1.082 4.591) 4.723 7.012 ( -3.753 -3.103 -0.602) 4.907 7.012 ( -3.753 3.103 -0.602) 4.907 7.179 ( -1.851 -3.415 4.998) 6.330 7.179 ( -1.851 3.415 4.998) 6.330 7.282 ( 4.583 -2.968 -3.760) 6.629 7.282 ( 4.583 2.968 -3.760) 6.629 7.504 ( 1.644 -4.011 2.603) 5.056 7.504 ( 1.644 4.011 2.603) 5.056 7.608 ( 1.927 -5.284 -6.332) 8.469 7.608 ( 1.927 5.284 -6.332) 8.469 7.999 ( -1.397 -3.118 3.743) 5.068 7.999 ( -1.397 3.118 3.743) 5.068 8.133 ( -0.314 -3.116 -2.306) 3.889 8.133 ( -0.314 3.116 -2.306) 3.889 8.456 ( -3.252 -3.427 1.759) 5.041 8.456 ( -3.252 3.427 1.759) 5.041 8.722 ( -2.310 -2.887 -0.645) 3.753 8.722 ( -2.310 2.887 -0.645) 3.753 8.763 ( 5.383 -3.030 -1.437) 6.342 8.763 ( 5.383 3.030 -1.437) 6.342 8.893 ( -1.349 -3.784 3.468) 5.307 8.893 ( -1.349 3.784 3.468) 5.307 8.940 ( 1.359 -5.125 -2.054) 5.686 8.940 ( 1.359 5.125 -2.054) 5.686 9.161 ( -2.858 -5.570 -1.024) 6.343 9.161 ( -2.858 5.570 -1.024) 6.343 9.203 ( 2.784 -3.887 -0.405) 4.798 9.203 ( 2.784 3.887 -0.405) 4.798 9.511 ( 0.542 -3.117 -0.504) 3.204 9.511 ( 0.542 3.117 -0.504) 3.204 9.630 ( 1.079 -1.460 0.703) 1.947 9.630 ( 1.079 1.460 0.703) 1.947 9.879 ( 0.048 -3.423 -0.473) 3.455 9.879 ( 0.048 3.423 -0.473) 3.455 10.076 ( 0.894 -0.891 0.249) 1.287 10.076 ( 0.894 0.891 0.249) 1.287 10.387 ( -0.920 -0.864 1.875) 2.261 10.387 ( -0.920 0.864 1.875) 2.261 10.641 ( 2.228 -3.735 0.290) 4.359 10.641 ( 2.228 3.735 0.290) 4.359 10.783 ( -1.621 -2.787 1.657) 3.625 10.783 ( -1.621 2.787 1.657) 3.625 11.054 ( 2.568 -1.865 1.703) 3.602 11.054 ( 2.568 1.865 1.703) 3.602 11.225 ( -2.808 -2.220 -1.158) 3.762 11.225 ( -2.808 2.220 -1.158) 3.762 11.879 ( -0.228 -0.826 -0.673) 1.089 11.879 ( -0.228 0.826 -0.673) 1.089 12.055 ( -0.478 -0.884 -0.422) 1.090 12.055 ( -0.478 0.884 -0.422) 1.090 12.349 ( -2.608 -0.919 2.525) 3.745 12.349 ( -2.608 0.919 2.525) 3.745 12.380 ( 2.504 -4.278 -0.020) 4.957 12.380 ( 2.504 4.278 -0.020) 4.957 12.569 ( -0.134 -1.871 -0.967) 2.110 12.569 ( -0.134 1.871 -0.967) 2.110 12.670 ( 3.054 -3.364 0.153) 4.546 12.670 ( 3.054 3.364 0.153) 4.546 12.835 ( -4.482 -3.299 2.133) 5.960 12.835 ( -4.482 3.299 2.133) 5.960 13.065 ( 1.541 -4.560 -1.583) 5.067 13.065 ( 1.541 4.560 -1.583) 5.067 13.182 ( -1.130 -0.862 1.460) 2.037 13.182 ( -1.130 0.862 1.460) 2.037 13.320 ( 0.653 -2.659 1.237) 3.004 13.320 ( 0.653 2.659 1.237) 3.004 13.574 ( -5.216 -3.006 3.104) 6.773 13.574 ( -5.216 3.006 3.104) 6.773 13.679 ( 7.802 -1.929 -4.188) 9.063 13.679 ( 7.802 1.929 -4.188) 9.063 14.199 ( 1.656 -2.237 8.407) 8.855 14.199 ( 1.656 2.237 8.407) 8.855 14.383 ( -1.434 -2.342 -7.648) 8.126 14.383 ( -1.434 2.342 -7.648) 8.126 14.601 ( -0.818 -4.075 -0.876) 4.248 14.601 ( -0.818 4.075 -0.876) 4.248 14.740 ( -0.858 -3.615 -0.957) 3.837 14.740 ( -0.858 3.615 -0.957) 3.837 15.210 ( 0.309 -2.020 -1.412) 2.484 15.210 ( 0.309 2.020 -1.412) 2.484 15.410 ( 1.536 -2.011 -0.888) 2.682 15.410 ( 1.536 2.011 -0.888) 2.682 15.674 ( -1.869 -3.295 -1.436) 4.051 15.674 ( -1.869 3.295 -1.436) 4.051 15.725 ( -0.827 -1.891 -1.273) 2.425 15.725 ( -0.827 1.891 -1.273) 2.425 16.084 ( -3.325 -2.018 4.260) 5.768 16.084 ( -3.325 2.018 4.260) 5.768 16.140 ( 3.070 -2.900 -1.832) 4.604 16.140 ( 3.070 2.900 -1.832) 4.604 16.578 ( 1.078 -0.500 -0.197) 1.204 16.578 ( 1.078 0.500 -0.197) 1.204 16.691 ( -1.323 -0.475 -1.992) 2.438 16.691 ( -1.323 0.475 -1.992) 2.438 19.216 ( -1.654 -2.889 -0.426) 3.356 19.216 ( -1.654 2.889 -0.426) 3.356 19.420 ( 1.371 -3.308 -1.061) 3.735 19.420 ( 1.371 3.308 -1.061) 3.735 21.090 ( 2.934 -5.997 1.621) 6.871 21.090 ( 2.934 5.997 1.621) 6.871 21.112 ( -3.179 -5.650 -0.614) 6.512 21.112 ( -3.179 5.650 -0.614) 6.512 25.012 ( -0.227 -1.290 1.066) 1.689 25.012 ( -0.227 1.290 1.066) 1.689 25.311 ( -0.496 -1.014 1.152) 1.613 25.311 ( -0.496 1.014 1.152) 1.613 25.932 ( -0.176 -0.700 -1.216) 1.414 25.932 ( -0.176 0.700 -1.216) 1.414 26.142 ( -0.314 -0.204 0.568) 0.681 26.142 ( -0.314 0.204 0.568) 0.681 26.587 ( 3.532 -0.926 3.004) 4.728 26.587 ( 3.532 0.926 3.004) 4.728 26.950 ( -1.964 -0.371 -2.543) 3.234 26.950 ( -1.964 0.371 -2.543) 3.234 27.179 ( -0.547 -4.339 3.717) 5.740 27.179 ( -0.547 4.339 3.717) 5.740 27.295 ( -1.156 -2.976 -2.540) 4.080 27.295 ( -1.156 2.976 -2.540) 4.080 27.561 ( 1.945 -3.057 1.459) 3.906 27.561 ( 1.945 3.057 1.459) 3.906 27.778 ( -2.636 -3.561 -3.100) 5.407 27.778 ( -2.636 3.561 -3.100) 5.407 28.200 ( 0.542 -2.177 -0.022) 2.244 28.200 ( 0.542 2.177 -0.022) 2.244 28.243 ( -1.427 -2.747 0.801) 3.197 28.243 ( -1.427 2.747 0.801) 3.197 28.430 ( 0.364 -2.693 1.746) 3.230 28.430 ( 0.364 2.693 1.746) 3.230 28.709 ( 1.249 -2.582 -0.928) 3.015 28.709 ( 1.249 2.582 -0.928) 3.015 29.259 ( -2.692 -3.442 2.376) 4.974 29.259 ( -2.692 3.442 2.376) 4.974 29.392 ( 3.454 -2.083 -2.627) 4.813 29.392 ( 3.454 2.083 -2.627) 4.813 29.862 ( 1.543 -0.950 1.436) 2.312 29.862 ( 1.543 0.950 1.436) 2.312 30.163 ( -2.123 -1.911 3.075) 4.197 30.163 ( -2.123 1.911 3.075) 4.197 30.614 ( -0.058 -1.859 0.751) 2.006 30.614 ( -0.058 1.859 0.751) 2.006 30.828 ( 1.770 -2.296 -4.731) 5.549 30.828 ( 1.770 2.296 -4.731) 5.549 ======================= Grid point 103 (57/63) ======================= q-point: ( 0.12 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 5.044 -10.525 -4.585) 12.540 2.015 ( 5.044 10.525 -4.585) 12.540 2.374 ( -5.881 -1.613 -15.268) 16.441 2.374 ( -5.881 1.613 -15.268) 16.441 2.450 ( 4.173 -8.003 -15.319) 17.781 2.450 ( 4.173 8.003 -15.319) 17.781 2.694 ( -1.663 -13.059 12.342) 18.045 2.694 ( -1.663 13.059 12.342) 18.045 2.989 ( -10.677 -4.158 -1.916) 11.617 2.989 ( -10.677 4.158 -1.916) 11.617 3.193 ( 1.826 -5.194 6.132) 8.241 3.193 ( 1.826 5.194 6.132) 8.241 3.454 ( -4.017 -4.227 -1.338) 5.983 3.454 ( -4.017 4.227 -1.338) 5.983 3.606 ( -2.923 -3.932 0.424) 4.918 3.606 ( -2.923 3.932 0.424) 4.918 3.807 ( 5.291 -2.358 1.977) 6.121 3.807 ( 5.291 2.358 1.977) 6.121 3.920 ( 4.795 -4.539 -2.462) 7.047 3.920 ( 4.795 4.539 -2.462) 7.047 4.023 ( 2.784 -6.570 3.525) 7.959 4.023 ( 2.784 6.570 3.525) 7.959 4.228 ( 1.690 -8.487 0.134) 8.654 4.228 ( 1.690 8.487 0.134) 8.654 4.265 ( -5.123 -7.166 -10.180) 13.462 4.265 ( -5.123 7.166 -10.180) 13.462 4.494 ( 2.768 -14.565 13.752) 20.222 4.494 ( 2.768 14.565 13.752) 20.222 4.645 ( -3.726 -6.746 1.216) 7.802 4.645 ( -3.726 6.746 1.216) 7.802 4.787 ( 5.173 -3.058 1.935) 6.313 4.787 ( 5.173 3.058 1.935) 6.313 4.895 ( -0.507 -7.550 -0.309) 7.573 4.895 ( -0.507 7.550 -0.309) 7.573 5.038 ( 2.671 -7.878 0.391) 8.327 5.038 ( 2.671 7.878 0.391) 8.327 5.115 ( -0.261 -0.311 -1.965) 2.006 5.115 ( -0.261 0.311 -1.965) 2.006 5.296 ( -1.912 -0.458 -5.212) 5.571 5.296 ( -1.912 0.458 -5.212) 5.571 5.390 ( 2.402 -2.140 0.281) 3.229 5.390 ( 2.402 2.140 0.281) 3.229 5.490 ( 0.776 -4.402 1.288) 4.652 5.490 ( 0.776 4.402 1.288) 4.652 5.604 ( 3.384 -0.928 -7.153) 7.967 5.604 ( 3.384 0.928 -7.153) 7.967 5.693 ( -1.934 -9.621 -0.072) 9.814 5.693 ( -1.934 9.621 -0.072) 9.814 5.939 ( -1.201 -3.002 2.168) 3.893 5.939 ( -1.201 3.002 2.168) 3.893 5.986 ( 4.879 -4.869 -0.263) 6.898 5.986 ( 4.879 4.869 -0.263) 6.898 6.103 ( 0.087 -4.155 3.798) 5.630 6.103 ( 0.087 4.155 3.798) 5.630 6.224 ( 0.016 -2.469 -1.689) 2.991 6.224 ( 0.016 2.469 -1.689) 2.991 6.427 ( -3.444 -3.956 6.491) 8.345 6.427 ( -3.444 3.956 6.491) 8.345 6.574 ( -1.056 -2.593 2.031) 3.459 6.574 ( -1.056 2.593 2.031) 3.459 6.864 ( -1.087 -1.391 0.579) 1.858 6.864 ( -1.087 1.391 0.579) 1.858 6.973 ( -3.815 -3.438 4.561) 6.869 6.973 ( -3.815 3.438 4.561) 6.869 7.182 ( -1.443 -5.039 2.813) 5.949 7.182 ( -1.443 5.039 2.813) 5.949 7.308 ( 3.182 -2.109 -5.924) 7.048 7.308 ( 3.182 2.109 -5.924) 7.048 7.531 ( 0.764 -0.409 -2.288) 2.447 7.531 ( 0.764 0.409 -2.288) 2.447 7.573 ( 0.651 -1.825 -2.858) 3.453 7.573 ( 0.651 1.825 -2.858) 3.453 8.013 ( -0.884 -3.503 2.128) 4.193 8.013 ( -0.884 3.503 2.128) 4.193 8.123 ( 0.060 -0.748 0.788) 1.088 8.123 ( 0.060 0.748 0.788) 1.088 8.377 ( -7.576 -3.865 1.454) 8.628 8.377 ( -7.576 3.865 1.454) 8.628 8.633 ( -4.563 -1.662 0.036) 4.856 8.633 ( -4.563 1.662 0.036) 4.856 8.806 ( -2.295 -1.697 0.461) 2.891 8.806 ( -2.295 1.697 0.461) 2.891 8.878 ( -1.113 -5.475 -3.221) 6.449 8.878 ( -1.113 5.475 -3.221) 6.449 8.997 ( 5.837 -6.068 1.575) 8.566 8.997 ( 5.837 6.068 1.575) 8.566 9.122 ( -0.191 -4.474 0.599) 4.518 9.122 ( -0.191 4.474 0.599) 4.518 9.251 ( 3.294 -4.347 -0.893) 5.527 9.251 ( 3.294 4.347 -0.893) 5.527 9.524 ( -0.002 -3.556 -0.680) 3.620 9.524 ( -0.002 3.556 -0.680) 3.620 9.619 ( -0.499 -5.231 -2.396) 5.775 9.619 ( -0.499 5.231 -2.396) 5.775 9.901 ( 2.609 -2.656 -0.019) 3.723 9.901 ( 2.609 2.656 -0.019) 3.723 10.058 ( -1.432 -4.102 -1.149) 4.494 10.058 ( -1.432 4.102 -1.149) 4.494 10.381 ( -1.514 -4.439 1.283) 4.862 10.381 ( -1.514 4.439 1.283) 4.862 10.626 ( -1.712 -2.034 -3.472) 4.373 10.626 ( -1.712 2.034 -3.472) 4.373 10.797 ( -0.207 -5.014 3.008) 5.850 10.797 ( -0.207 5.014 3.008) 5.850 11.017 ( -3.494 -2.750 -3.633) 5.742 11.017 ( -3.494 2.750 -3.633) 5.742 11.248 ( 2.277 -2.045 3.472) 4.628 11.248 ( 2.277 2.045 3.472) 4.628 11.879 ( 0.283 -2.400 0.549) 2.478 11.879 ( 0.283 2.400 0.549) 2.478 12.073 ( 2.391 -2.400 0.782) 3.477 12.073 ( 2.391 2.400 0.782) 3.477 12.325 ( -2.440 -4.072 1.056) 4.863 12.325 ( -2.440 4.072 1.056) 4.863 12.409 ( 0.691 -0.279 -0.482) 0.888 12.409 ( 0.691 0.279 -0.482) 0.888 12.545 ( -1.280 -2.649 -1.119) 3.147 12.545 ( -1.280 2.649 -1.119) 3.147 12.654 ( -1.782 -3.007 -3.075) 4.656 12.654 ( -1.782 3.007 -3.075) 4.656 12.851 ( -0.479 -3.540 6.223) 7.175 12.851 ( -0.479 3.540 6.223) 7.175 13.034 ( -2.922 -9.009 -2.753) 9.863 13.034 ( -2.922 9.009 -2.753) 9.863 13.179 ( -0.722 -1.719 1.796) 2.588 13.179 ( -0.722 1.719 1.796) 2.588 13.356 ( 3.275 -2.493 -1.380) 4.342 13.356 ( 3.275 2.493 -1.380) 4.342 13.496 ( -5.754 -2.794 4.258) 7.684 13.496 ( -5.754 2.794 4.258) 7.684 13.715 ( 3.117 -1.906 -7.470) 8.316 13.715 ( 3.117 1.906 -7.470) 8.316 14.241 ( -2.525 -2.470 -6.156) 7.097 14.241 ( -2.525 2.470 -6.156) 7.097 14.319 ( -1.669 -2.434 5.470) 6.215 14.319 ( -1.669 2.434 5.470) 6.215 14.622 ( 3.375 -3.225 0.901) 4.755 14.622 ( 3.375 3.225 0.901) 4.755 14.715 ( -2.141 -0.863 1.883) 2.979 14.715 ( -2.141 0.863 1.883) 2.979 15.180 ( -1.866 -7.515 -0.821) 7.786 15.180 ( -1.866 7.515 -0.821) 7.786 15.377 ( -2.290 -4.160 -2.111) 5.197 15.377 ( -2.290 4.160 -2.111) 5.197 15.661 ( -2.763 -2.893 1.428) 4.247 15.661 ( -2.763 2.893 1.428) 4.247 15.750 ( 4.680 -2.516 2.340) 5.806 15.750 ( 4.680 2.516 2.340) 5.806 16.071 ( -2.583 -0.698 3.010) 4.027 16.071 ( -2.583 0.698 3.010) 4.027 16.188 ( 4.517 -2.740 -1.808) 5.583 16.188 ( 4.517 2.740 -1.808) 5.583 16.599 ( 2.537 -3.878 -2.197) 5.128 16.599 ( 2.537 3.878 -2.197) 5.128 16.705 ( 2.669 -0.977 2.052) 3.505 16.705 ( 2.669 0.977 2.052) 3.505 19.220 ( 0.637 -3.595 2.225) 4.276 19.220 ( 0.637 3.595 2.225) 4.276 19.427 ( 1.140 -1.743 -1.782) 2.741 19.427 ( 1.140 1.743 -1.782) 2.741 21.049 ( -2.407 -4.879 -0.769) 5.495 21.049 ( -2.407 4.879 -0.769) 5.495 21.158 ( 2.536 -6.188 1.218) 6.798 21.158 ( 2.536 6.188 1.218) 6.798 25.014 ( -0.293 -0.145 0.271) 0.425 25.014 ( -0.293 0.145 0.271) 0.425 25.338 ( 2.150 -2.092 0.770) 3.097 25.338 ( 2.150 2.092 0.770) 3.097 25.922 ( -0.410 -1.161 0.340) 1.278 25.922 ( -0.410 1.161 0.340) 1.278 26.149 ( 0.267 -0.083 0.421) 0.506 26.149 ( 0.267 0.083 0.421) 0.506 26.594 ( -0.111 -2.878 -5.562) 6.263 26.594 ( -0.111 2.878 -5.562) 6.263 26.983 ( 4.155 -0.200 2.786) 5.007 26.983 ( 4.155 0.200 2.786) 5.007 27.176 ( -1.503 -2.627 0.950) 3.172 27.176 ( -1.503 2.627 0.950) 3.172 27.303 ( 1.903 -2.528 2.215) 3.863 27.303 ( 1.903 2.528 2.215) 3.863 27.565 ( -0.248 -5.464 -3.486) 6.486 27.565 ( -0.248 5.464 -3.486) 6.486 27.796 ( 3.699 -5.604 4.680) 8.185 27.796 ( 3.699 5.604 4.680) 8.185 28.183 ( -1.296 -5.190 -0.142) 5.351 28.183 ( -1.296 5.190 -0.142) 5.351 28.263 ( 0.937 -4.596 1.651) 4.973 28.263 ( 0.937 4.596 1.651) 4.973 28.418 ( -2.880 -6.171 -0.923) 6.873 28.418 ( -2.880 6.171 -0.923) 6.873 28.632 ( -6.973 -2.445 -2.071) 7.674 28.632 ( -6.973 2.445 -2.071) 7.674 29.173 ( -9.162 -3.855 2.278) 10.198 29.173 ( -9.162 3.855 2.278) 10.198 29.393 ( 0.215 -2.943 -3.957) 4.936 29.393 ( 0.215 2.943 -3.957) 4.936 29.878 ( 1.059 -6.334 -1.938) 6.708 29.878 ( 1.059 6.334 -1.938) 6.708 30.170 ( -1.831 -2.322 3.929) 4.918 30.170 ( -1.831 2.322 3.929) 4.918 30.554 ( -2.878 -8.468 -0.218) 8.946 30.554 ( -2.878 8.468 -0.218) 8.946 30.961 ( 13.408 -5.984 -2.986) 14.984 30.961 ( 13.408 5.984 -2.986) 14.984 ======================= Grid point 105 (58/63) ======================= q-point: ( 0.25 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.797 -11.697 -19.987) 23.172 1.834 ( -0.797 11.697 -19.987) 23.172 2.239 ( 10.556 -6.730 -8.224) 14.979 2.239 ( 10.556 6.730 -8.224) 14.979 2.535 ( 3.086 -2.034 3.069) 4.804 2.535 ( 3.086 2.034 3.069) 4.804 2.709 ( -11.634 -6.348 6.289) 14.670 2.709 ( -11.634 6.348 6.289) 14.670 2.821 ( 2.094 -19.078 0.002) 19.193 2.821 ( 2.094 19.078 0.002) 19.193 3.279 ( 0.345 -7.061 4.814) 8.553 3.279 ( 0.345 7.061 4.814) 8.553 3.414 ( -0.741 -7.973 1.734) 8.193 3.414 ( -0.741 7.973 1.734) 8.193 3.538 ( -1.979 -0.951 -1.261) 2.532 3.538 ( -1.979 0.951 -1.261) 2.532 3.873 ( 2.442 -1.069 2.361) 3.561 3.873 ( 2.442 1.069 2.361) 3.561 3.971 ( 2.331 -3.260 -3.133) 5.087 3.971 ( 2.331 3.260 -3.133) 5.087 4.064 ( -0.704 -1.662 -0.854) 1.997 4.064 ( -0.704 1.662 -0.854) 1.997 4.162 ( 3.712 -7.340 -6.923) 10.751 4.162 ( 3.712 7.340 -6.923) 10.751 4.316 ( 1.846 -0.971 4.052) 4.557 4.316 ( 1.846 0.971 4.052) 4.557 4.569 ( -4.992 -2.867 2.896) 6.444 4.569 ( -4.992 2.867 2.896) 6.444 4.649 ( 6.055 -13.099 1.903) 14.556 4.649 ( 6.055 13.099 1.903) 14.556 4.841 ( -0.079 -0.815 -2.913) 3.026 4.841 ( -0.079 0.815 -2.913) 3.026 4.942 ( 4.049 -6.178 -0.685) 7.418 4.942 ( 4.049 6.178 -0.685) 7.418 5.020 ( -3.351 -10.779 -0.245) 11.290 5.020 ( -3.351 10.779 -0.245) 11.290 5.099 ( -1.248 -7.506 -1.779) 7.814 5.099 ( -1.248 7.506 -1.779) 7.814 5.241 ( -0.684 -4.555 1.065) 4.728 5.241 ( -0.684 4.555 1.065) 4.728 5.393 ( 0.128 -1.659 -1.703) 2.380 5.393 ( 0.128 1.659 -1.703) 2.380 5.483 ( -1.407 -3.382 2.877) 4.657 5.483 ( -1.407 3.382 2.877) 4.657 5.631 ( 2.422 -3.754 -1.515) 4.718 5.631 ( 2.422 3.754 -1.515) 4.718 5.712 ( 2.100 -7.208 -4.162) 8.584 5.712 ( 2.100 7.208 -4.162) 8.584 5.895 ( -4.766 -4.054 3.797) 7.319 5.895 ( -4.766 4.054 3.797) 7.319 6.010 ( 1.053 -5.267 -2.742) 6.030 6.010 ( 1.053 5.267 -2.742) 6.030 6.127 ( -2.887 -2.450 1.518) 4.079 6.127 ( -2.887 2.450 1.518) 4.079 6.233 ( 2.900 -5.866 -1.146) 6.643 6.233 ( 2.900 5.866 -1.146) 6.643 6.462 ( -1.386 -2.833 7.731) 8.349 6.462 ( -1.386 2.833 7.731) 8.349 6.613 ( -0.524 -1.660 3.914) 4.284 6.613 ( -0.524 1.660 3.914) 4.284 6.835 ( -3.626 -1.415 0.733) 3.961 6.835 ( -3.626 1.415 0.733) 3.961 6.954 ( -1.309 -2.477 1.046) 2.990 6.954 ( -1.309 2.477 1.046) 2.990 7.161 ( -4.446 -5.736 2.085) 7.551 7.161 ( -4.446 5.736 2.085) 7.551 7.283 ( 1.262 -2.768 -4.735) 5.628 7.283 ( 1.262 2.768 -4.735) 5.628 7.529 ( 3.582 -3.395 -3.085) 5.820 7.529 ( 3.582 3.395 -3.085) 5.820 7.576 ( 0.144 -8.537 0.966) 8.593 7.576 ( 0.144 8.537 0.966) 8.593 7.992 ( -2.577 -5.006 -1.585) 5.849 7.992 ( -2.577 5.006 -1.585) 5.849 8.109 ( -4.299 -2.575 -0.656) 5.053 8.109 ( -4.299 2.575 -0.656) 5.053 8.283 ( -2.694 -3.884 2.909) 5.550 8.283 ( -2.694 3.884 2.909) 5.550 8.585 ( -0.771 -1.197 -0.746) 1.608 8.585 ( -0.771 1.197 -0.746) 1.608 8.690 ( -8.422 -6.227 -1.396) 10.567 8.690 ( -8.422 6.227 -1.396) 10.567 8.866 ( 0.922 -0.573 1.221) 1.634 8.866 ( 0.922 0.573 1.221) 1.634 9.095 ( 0.940 -4.026 1.767) 4.497 9.095 ( 0.940 4.026 1.767) 4.497 9.171 ( 5.077 -4.091 0.921) 6.585 9.171 ( 5.077 4.091 0.921) 6.585 9.307 ( 4.113 -5.062 -0.206) 6.526 9.307 ( 4.113 5.062 -0.206) 6.526 9.469 ( -3.125 -5.844 -0.299) 6.634 9.469 ( -3.125 5.844 -0.299) 6.634 9.604 ( 1.664 -3.458 -2.475) 4.567 9.604 ( 1.664 3.458 -2.475) 4.567 9.958 ( 4.028 -5.033 0.169) 6.449 9.958 ( 4.028 5.033 0.169) 6.449 10.060 ( 1.720 -5.302 1.499) 5.773 10.060 ( 1.720 5.303 1.499) 5.773 10.366 ( -1.462 -6.164 0.945) 6.405 10.366 ( -1.462 6.164 0.945) 6.405 10.544 ( -2.951 -1.675 -3.488) 4.866 10.544 ( -2.951 1.675 -3.488) 4.866 10.798 ( -2.952 -7.655 2.457) 8.565 10.798 ( -2.952 7.655 2.457) 8.565 10.958 ( 1.047 -3.349 -2.222) 4.153 10.958 ( 1.047 3.349 -2.222) 4.153 11.309 ( 0.751 -4.123 2.265) 4.764 11.309 ( 0.751 4.123 2.265) 4.764 11.890 ( -0.320 -3.145 0.965) 3.305 11.890 ( -0.320 3.145 0.965) 3.305 12.139 ( 3.872 -2.244 0.284) 4.485 12.139 ( 3.872 2.244 0.284) 4.485 12.267 ( -3.840 -4.846 -2.904) 6.831 12.267 ( -3.840 4.846 -2.904) 6.831 12.399 ( -2.813 -1.545 2.904) 4.328 12.399 ( -2.813 1.545 2.904) 4.328 12.479 ( -2.191 -3.758 -5.763) 7.220 12.479 ( -2.191 3.758 -5.763) 7.220 12.609 ( -0.445 -3.360 -1.401) 3.668 12.609 ( -0.445 3.360 -1.401) 3.668 12.884 ( -5.102 -8.634 5.929) 11.650 12.884 ( -5.102 8.634 5.929) 11.650 12.945 ( -1.191 -4.508 -0.985) 4.765 12.945 ( -1.191 4.508 -0.985) 4.765 13.199 ( 0.247 -1.412 1.580) 2.134 13.199 ( 0.247 1.412 1.580) 2.134 13.401 ( 2.169 -6.823 0.778) 7.201 13.401 ( 2.169 6.823 0.778) 7.201 13.500 ( 3.771 -3.688 -0.076) 5.275 13.500 ( 3.771 3.688 -0.076) 5.275 13.668 ( 1.137 -3.749 -7.329) 8.310 13.668 ( 1.137 3.749 -7.329) 8.310 14.101 ( -4.715 -6.901 -7.415) 11.174 14.101 ( -4.715 6.901 -7.415) 11.174 14.325 ( -5.580 -5.445 7.748) 10.992 14.325 ( -5.580 5.445 7.748) 10.992 14.639 ( -2.805 -6.785 0.193) 7.345 14.639 ( -2.805 6.785 0.193) 7.345 14.759 ( 4.466 -1.038 1.079) 4.710 14.759 ( 4.466 1.038 1.079) 4.710 15.148 ( -0.719 -9.508 -0.825) 9.571 15.148 ( -0.719 9.508 -0.825) 9.571 15.335 ( -0.623 -4.232 -0.279) 4.287 15.335 ( -0.623 4.232 -0.279) 4.287 15.607 ( -4.229 -1.688 0.647) 4.599 15.607 ( -4.229 1.688 0.647) 4.599 15.872 ( 4.092 -5.212 4.598) 8.065 15.872 ( 4.092 5.212 4.598) 8.065 16.053 ( -2.746 -3.219 2.687) 5.012 16.053 ( -2.746 3.219 2.687) 5.012 16.249 ( 4.750 -3.473 -2.103) 6.249 16.249 ( 4.750 3.473 -2.103) 6.249 16.620 ( 2.801 -6.103 -2.729) 7.248 16.620 ( 2.801 6.103 -2.729) 7.248 16.799 ( 4.358 -3.195 3.206) 6.283 16.799 ( 4.358 3.195 3.206) 6.283 19.250 ( -0.369 -3.905 2.085) 4.442 19.250 ( -0.369 3.905 2.085) 4.442 19.426 ( 0.402 -0.336 -1.077) 1.197 19.426 ( 0.402 0.336 -1.077) 1.197 21.027 ( 0.375 -3.022 0.349) 3.065 21.027 ( 0.375 3.022 0.349) 3.065 21.198 ( 0.738 -3.623 1.168) 3.878 21.198 ( 0.738 3.623 1.168) 3.878 25.007 ( -0.344 -0.451 -0.595) 0.822 25.007 ( -0.344 0.451 -0.595) 0.822 25.382 ( 2.255 -3.731 -0.419) 4.379 25.382 ( 2.255 3.731 -0.419) 4.379 25.924 ( -0.372 -1.652 1.304) 2.137 25.924 ( -0.372 1.652 1.304) 2.137 26.143 ( -1.110 -0.762 -0.558) 1.457 26.143 ( -1.110 0.762 -0.558) 1.457 26.546 ( 2.332 -3.547 -6.350) 7.638 26.546 ( 2.332 3.547 -6.350) 7.638 27.032 ( -0.957 -2.806 -0.312) 2.981 27.032 ( -0.957 2.806 -0.312) 2.981 27.202 ( 3.038 -2.258 1.085) 3.937 27.202 ( 3.038 2.258 1.085) 3.937 27.378 ( 1.386 -0.645 5.358) 5.572 27.378 ( 1.386 0.645 5.358) 5.572 27.535 ( 2.579 -3.733 -3.036) 5.459 27.535 ( 2.579 3.733 -3.036) 5.459 27.937 ( 4.353 -3.650 5.030) 7.588 27.937 ( 4.353 3.650 5.030) 7.588 28.140 ( -4.374 -4.390 -2.027) 6.520 28.140 ( -4.374 4.390 -2.027) 6.520 28.269 ( -1.568 -2.758 -2.915) 4.309 28.269 ( -1.568 2.758 -2.915) 4.309 28.327 ( -3.502 -10.090 4.166) 11.464 28.327 ( -3.502 10.090 4.166) 11.464 28.528 ( -2.635 -5.238 -0.195) 5.867 28.528 ( -2.635 5.238 -0.195) 5.867 29.015 ( -9.650 -4.842 -0.727) 10.821 29.015 ( -9.650 4.842 -0.727) 10.821 29.346 ( -1.691 -6.258 -1.330) 6.618 29.346 ( -1.691 6.258 -1.330) 6.618 29.872 ( 0.741 -6.496 -2.499) 6.999 29.872 ( 0.741 6.496 -2.499) 6.999 30.161 ( -4.219 -1.863 4.657) 6.555 30.161 ( -4.219 1.863 4.657) 6.555 30.561 ( 2.950 -11.896 0.304) 12.260 30.561 ( 2.950 11.896 0.304) 12.260 31.136 ( 10.582 -4.904 -4.617) 12.543 31.136 ( 10.582 4.904 -4.617) 12.543 ======================= Grid point 107 (59/63) ======================= q-point: ( 0.38 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 20.792 -11.172 8.768) 25.179 1.962 ( 20.792 11.172 8.768) 25.179 2.394 ( 13.148 -10.983 -3.349) 17.456 2.394 ( 13.148 10.983 -3.349) 17.456 2.571 ( -2.800 -9.340 5.138) 11.022 2.571 ( -2.800 9.340 5.138) 11.022 2.637 ( -7.732 -7.975 14.378) 18.169 2.637 ( -7.732 7.975 14.378) 18.169 2.952 ( 11.368 -15.323 -1.891) 19.173 2.952 ( 11.368 15.323 -1.891) 19.173 3.291 ( 0.439 -4.630 -0.085) 4.651 3.291 ( 0.439 4.630 -0.085) 4.651 3.454 ( -1.377 -14.240 5.528) 15.337 3.454 ( -1.377 14.240 5.528) 15.337 3.536 ( -0.445 -2.818 2.479) 3.779 3.536 ( -0.445 2.818 2.479) 3.779 3.848 ( -4.078 -2.714 -5.209) 7.150 3.848 ( -4.078 2.714 -5.209) 7.150 4.001 ( -0.388 -4.325 1.784) 4.694 4.001 ( -0.388 4.325 1.784) 4.694 4.065 ( 4.167 -5.350 -2.355) 7.178 4.065 ( 4.167 5.350 -2.355) 7.178 4.158 ( 3.609 -4.383 -3.129) 6.483 4.158 ( 3.609 4.383 -3.129) 6.483 4.329 ( -2.284 -0.778 0.597) 2.486 4.329 ( -2.284 0.778 0.597) 2.486 4.553 ( -1.832 -1.362 3.464) 4.149 4.553 ( -1.832 1.362 3.464) 4.149 4.696 ( -2.755 -7.483 -6.326) 10.178 4.696 ( -2.755 7.483 -6.326) 10.178 4.797 ( 6.402 -3.900 -4.954) 8.985 4.797 ( 6.402 3.900 -4.954) 8.985 4.955 ( -2.585 -10.534 -1.365) 10.932 4.955 ( -2.585 10.534 -1.365) 10.932 4.981 ( 3.623 -1.419 -3.954) 5.547 4.981 ( 3.623 1.419 -3.954) 5.547 5.076 ( 1.293 -7.538 -2.412) 8.019 5.076 ( 1.293 7.538 -2.412) 8.019 5.200 ( -9.602 -8.364 4.062) 13.366 5.200 ( -9.602 8.364 4.062) 13.366 5.390 ( -1.201 -0.500 1.622) 2.079 5.390 ( -1.201 0.500 1.622) 2.079 5.489 ( -1.941 -5.903 -0.060) 6.215 5.489 ( -1.941 5.903 -0.060) 6.215 5.603 ( -1.825 -5.522 3.888) 6.996 5.603 ( -1.825 5.522 3.888) 6.996 5.701 ( 2.024 -8.839 -5.870) 10.802 5.701 ( 2.024 8.839 -5.870) 10.802 5.856 ( -3.302 -5.039 0.797) 6.077 5.856 ( -3.302 5.039 0.797) 6.077 6.026 ( 4.660 -3.518 -2.594) 6.389 6.026 ( 4.660 3.518 -2.594) 6.389 6.068 ( -3.873 -3.217 0.460) 5.055 6.068 ( -3.873 3.217 0.460) 5.055 6.276 ( 3.076 -6.300 -2.289) 7.375 6.276 ( 3.076 6.300 -2.289) 7.375 6.460 ( -4.094 -5.049 -1.935) 6.782 6.460 ( -4.094 5.049 -1.935) 6.782 6.590 ( -3.774 -1.967 1.234) 4.431 6.590 ( -3.774 1.967 1.234) 4.431 6.763 ( -5.557 -2.975 2.386) 6.740 6.763 ( -5.557 2.975 2.386) 6.740 6.911 ( -2.236 -3.288 -3.591) 5.358 6.911 ( -2.236 3.288 -3.591) 5.358 7.137 ( -1.632 -5.405 4.730) 7.366 7.137 ( -1.632 5.405 4.730) 7.366 7.263 ( 0.879 -5.036 -2.714) 5.788 7.263 ( 0.879 5.036 -2.714) 5.788 7.564 ( 3.427 -2.567 -3.304) 5.408 7.564 ( 3.427 2.567 -3.304) 5.408 7.608 ( 0.515 -4.871 3.262) 5.885 7.608 ( 0.515 4.871 3.262) 5.885 7.884 ( -6.017 -5.033 -1.745) 8.036 7.884 ( -6.017 5.033 -1.745) 8.036 8.007 ( -3.217 -4.190 -3.900) 6.566 8.007 ( -3.217 4.190 -3.900) 6.566 8.321 ( 1.163 -2.240 2.196) 3.345 8.321 ( 1.163 2.240 2.196) 3.345 8.565 ( -2.833 -6.686 1.305) 7.378 8.565 ( -2.833 6.686 1.305) 7.378 8.607 ( 2.583 -0.451 -0.829) 2.750 8.607 ( 2.583 0.451 -0.829) 2.750 8.884 ( -2.665 -3.173 4.080) 5.815 8.884 ( -2.665 3.173 4.080) 5.815 9.085 ( -0.877 -6.268 -2.481) 6.798 9.085 ( -0.877 6.268 -2.481) 6.798 9.225 ( 0.228 -2.740 0.248) 2.760 9.225 ( 0.228 2.740 0.248) 2.760 9.392 ( 5.066 -4.584 0.364) 6.842 9.392 ( 5.066 4.584 0.364) 6.842 9.499 ( 2.560 -7.191 4.376) 8.799 9.499 ( 2.560 7.191 4.376) 8.799 9.636 ( 3.602 -1.211 1.571) 4.112 9.636 ( 3.602 1.211 1.571) 4.112 10.020 ( 1.068 -4.477 0.337) 4.615 10.020 ( 1.068 4.477 0.337) 4.615 10.126 ( 3.789 -5.030 2.585) 6.807 10.126 ( 3.789 5.030 2.585) 6.807 10.348 ( -1.464 -5.560 -0.031) 5.750 10.348 ( -1.464 5.560 -0.031) 5.750 10.491 ( -0.391 -1.411 -0.122) 1.470 10.491 ( -0.391 1.411 -0.122) 1.470 10.775 ( -2.113 -6.449 2.782) 7.335 10.775 ( -2.113 6.449 2.782) 7.335 10.992 ( 3.411 -2.285 0.152) 4.108 10.992 ( 3.411 2.285 0.152) 4.108 11.298 ( -2.975 -4.073 -1.546) 5.276 11.298 ( -2.975 4.073 -1.546) 5.276 11.885 ( -0.471 -2.554 0.513) 2.647 11.885 ( -0.471 2.554 0.513) 2.647 12.140 ( -3.281 -3.370 -3.987) 6.166 12.140 ( -3.281 3.370 -3.987) 6.166 12.185 ( -0.607 -2.123 -3.094) 3.801 12.185 ( -0.607 2.123 -3.094) 3.801 12.373 ( -2.082 -3.678 2.085) 4.713 12.373 ( -2.082 3.678 2.085) 4.713 12.423 ( -0.464 -3.566 0.019) 3.596 12.423 ( -0.464 3.566 0.019) 3.596 12.594 ( 1.324 -4.028 -3.776) 5.677 12.594 ( 1.324 4.028 -3.776) 5.677 12.828 ( -3.114 -4.187 1.177) 5.349 12.828 ( -3.114 4.187 1.177) 5.349 12.964 ( -1.033 -3.222 3.892) 5.157 12.964 ( -1.033 3.222 3.892) 5.157 13.210 ( -0.575 -2.571 2.142) 3.395 13.210 ( -0.575 2.571 2.142) 3.395 13.421 ( -0.055 -5.905 -1.860) 6.191 13.421 ( -0.055 5.905 -1.860) 6.191 13.577 ( 3.818 -0.352 -2.787) 4.740 13.577 ( 3.818 0.352 -2.787) 4.740 13.672 ( 7.251 -4.072 -1.715) 8.492 13.672 ( 7.251 4.072 -1.715) 8.492 13.961 ( -4.057 -7.025 -3.856) 8.982 13.961 ( -4.057 7.025 -3.856) 8.982 14.281 ( -7.427 -3.509 5.640) 9.964 14.281 ( -7.427 3.509 5.640) 9.964 14.575 ( -3.497 -2.914 -1.255) 4.722 14.575 ( -3.497 2.914 -1.255) 4.722 14.816 ( 2.546 -5.865 -2.156) 6.747 14.816 ( 2.546 5.865 -2.156) 6.747 15.143 ( 0.888 -5.898 -0.437) 5.981 15.143 ( 0.888 5.898 -0.437) 5.981 15.351 ( 1.349 -2.351 1.634) 3.165 15.351 ( 1.349 2.351 1.634) 3.165 15.543 ( -3.143 -0.855 -0.463) 3.290 15.543 ( -3.143 0.855 -0.463) 3.290 15.957 ( 0.924 -6.018 3.594) 7.070 15.957 ( 0.924 6.018 3.594) 7.070 16.036 ( -2.478 -5.404 3.118) 6.713 16.036 ( -2.478 5.404 3.118) 6.713 16.306 ( 4.480 -4.660 -3.079) 7.160 16.306 ( 4.480 4.660 -3.079) 7.160 16.643 ( 1.422 -8.533 0.586) 8.671 16.643 ( 1.422 8.533 0.586) 8.671 16.883 ( 2.687 -3.819 0.312) 4.680 16.883 ( 2.687 3.819 0.312) 4.680 19.248 ( -1.155 -3.198 0.619) 3.457 19.248 ( -1.155 3.198 0.619) 3.457 19.418 ( -0.463 -1.246 -0.380) 1.383 19.418 ( -0.463 1.246 -0.380) 1.383 21.067 ( 2.380 -2.835 2.217) 4.315 21.067 ( 2.380 2.835 2.217) 4.315 21.207 ( -0.867 -1.214 0.790) 1.688 21.207 ( -0.867 1.214 0.790) 1.688 24.991 ( -0.415 -0.337 -1.155) 1.273 24.991 ( -0.415 0.337 -1.155) 1.273 25.397 ( 0.735 -3.213 -1.648) 3.685 25.397 ( 0.735 3.213 -1.648) 3.685 25.939 ( 0.162 -1.311 2.339) 2.686 25.939 ( 0.162 1.311 2.339) 2.686 26.105 ( -1.547 -0.879 -2.056) 2.720 26.105 ( -1.547 0.879 -2.056) 2.720 26.544 ( 2.965 -2.099 -3.874) 5.311 26.544 ( 2.965 2.099 -3.874) 5.311 26.987 ( -1.830 -2.995 -2.391) 4.247 26.987 ( -1.830 2.995 -2.391) 4.247 27.252 ( 1.635 -1.581 0.475) 2.324 27.252 ( 1.635 1.581 0.475) 2.324 27.417 ( -1.308 -1.006 3.297) 3.687 27.417 ( -1.308 1.006 3.297) 3.687 27.623 ( 6.969 -2.279 0.639) 7.360 27.623 ( 6.969 2.279 0.639) 7.360 27.887 ( -7.251 -3.807 -5.071) 9.633 27.887 ( -7.251 3.807 -5.071) 9.633 28.113 ( 0.107 -1.887 3.974) 4.401 28.113 ( 0.107 1.887 3.974) 4.401 28.233 ( 0.696 -2.011 -0.551) 2.198 28.233 ( 0.696 2.011 -0.551) 2.198 28.393 ( 2.653 -5.859 5.327) 8.351 28.393 ( 2.653 5.859 5.327) 8.351 28.513 ( -0.907 -2.187 2.405) 3.375 28.513 ( -0.907 2.187 2.405) 3.375 28.846 ( -7.085 -6.269 -3.569) 10.111 28.846 ( -7.085 6.269 -3.569) 10.111 29.325 ( -0.624 -9.043 1.188) 9.142 29.325 ( -0.624 9.043 1.188) 9.142 29.856 ( 0.060 -7.180 -1.667) 7.371 29.856 ( 0.060 7.180 -1.667) 7.371 30.131 ( -3.792 -1.107 3.831) 5.503 30.131 ( -3.792 1.107 3.831) 5.503 30.622 ( 2.452 -10.485 0.977) 10.812 30.622 ( 2.452 10.485 0.977) 10.812 31.223 ( 6.017 -2.866 -6.214) 9.112 31.223 ( 6.017 2.866 -6.214) 9.112 ======================= Grid point 109 (60/63) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -3.163 -4.879 11.338) 12.742 2.374 ( -3.163 4.879 11.338) 12.742 2.535 ( 4.440 -4.820 1.896) 6.822 2.535 ( 4.440 4.820 1.896) 6.823 2.637 ( 9.771 -2.931 4.152) 11.014 2.637 ( 9.771 2.931 4.152) 11.014 2.707 ( 1.567 -8.689 6.833) 11.165 2.707 ( 1.567 8.689 6.834) 11.165 3.070 ( 1.193 -5.735 -0.669) 5.896 3.070 ( 1.193 5.735 -0.669) 5.896 3.268 ( 2.331 -3.256 -11.321) 12.008 3.268 ( 2.331 3.256 -11.321) 12.008 3.463 ( -5.241 -9.837 6.713) 13.011 3.463 ( -5.241 9.837 6.713) 13.011 3.544 ( 5.010 -1.417 1.316) 5.370 3.544 ( 5.010 1.417 1.316) 5.370 3.805 ( 2.362 -7.188 0.788) 7.607 3.805 ( 2.362 7.188 0.788) 7.607 3.878 ( -8.239 -3.312 -4.262) 9.850 3.878 ( -8.239 3.312 -4.262) 9.850 4.131 ( 3.210 -8.764 -1.838) 9.513 4.131 ( 3.210 8.764 -1.838) 9.513 4.239 ( 0.530 -0.343 -0.521) 0.818 4.239 ( 0.530 0.343 -0.521) 0.818 4.323 ( 4.481 -5.416 3.027) 7.653 4.323 ( 4.481 5.416 3.027) 7.653 4.495 ( -6.340 -4.489 -0.823) 7.811 4.495 ( -6.340 4.489 -0.823) 7.811 4.651 ( 0.609 -5.821 1.490) 6.040 4.651 ( 0.609 5.821 1.490) 6.040 4.790 ( 1.506 -5.482 -5.971) 8.245 4.790 ( 1.506 5.482 -5.971) 8.245 4.879 ( -12.177 -11.826 6.033) 18.015 4.879 ( -12.177 11.826 6.033) 18.015 4.992 ( -8.311 -1.361 -3.404) 9.084 4.992 ( -8.311 1.361 -3.404) 9.084 5.059 ( 10.177 -7.884 -5.604) 14.040 5.059 ( 10.177 7.884 -5.604) 14.040 5.109 ( 1.493 -2.707 -1.382) 3.386 5.109 ( 1.493 2.707 -1.382) 3.386 5.390 ( -0.318 -2.713 6.983) 7.498 5.390 ( -0.318 2.713 6.983) 7.498 5.494 ( 1.251 -2.227 -0.910) 2.712 5.494 ( 1.251 2.227 -0.910) 2.712 5.562 ( -0.313 -2.191 -4.067) 4.630 5.562 ( -0.313 2.191 -4.067) 4.630 5.710 ( 1.690 -6.943 -0.608) 7.171 5.710 ( 1.690 6.943 -0.608) 7.171 5.859 ( 1.800 -1.274 1.971) 2.958 5.859 ( 1.800 1.274 1.971) 2.958 6.009 ( -0.666 -2.460 1.458) 2.936 6.009 ( -0.666 2.460 1.458) 2.936 6.107 ( -0.532 -3.306 -6.056) 6.920 6.107 ( -0.532 3.306 -6.056) 6.920 6.192 ( -0.648 -5.858 -3.209) 6.710 6.192 ( -0.648 5.858 -3.209) 6.710 6.409 ( 0.645 -5.844 -1.368) 6.037 6.409 ( 0.645 5.844 -1.368) 6.037 6.542 ( -0.810 -3.269 -0.878) 3.481 6.542 ( -0.810 3.269 -0.878) 3.481 6.724 ( -3.026 -0.470 5.147) 5.989 6.724 ( -3.026 0.470 5.147) 5.989 6.850 ( -0.418 -2.172 -2.901) 3.648 6.850 ( -0.418 2.172 -2.901) 3.648 7.151 ( -3.470 -6.030 4.737) 8.416 7.151 ( -3.470 6.030 4.737) 8.416 7.273 ( 2.614 -5.839 -1.438) 6.557 7.273 ( 2.614 5.839 -1.438) 6.557 7.576 ( -1.856 -2.370 0.247) 3.021 7.576 ( -1.856 2.370 0.247) 3.021 7.622 ( 2.072 -4.318 -2.068) 5.217 7.622 ( 2.072 4.318 -2.068) 5.217 7.834 ( -0.274 -4.442 2.998) 5.366 7.834 ( -0.274 4.442 2.998) 5.366 7.936 ( 1.379 -5.879 -5.671) 8.284 7.936 ( 1.379 5.879 -5.671) 8.284 8.333 ( -0.814 -1.161 0.915) 1.688 8.333 ( -0.814 1.161 0.915) 1.688 8.574 ( 0.440 -3.639 1.106) 3.828 8.574 ( 0.440 3.639 1.106) 3.828 8.657 ( 3.173 -1.212 -1.574) 3.744 8.657 ( 3.173 1.212 -1.574) 3.744 8.885 ( -0.432 -1.996 3.741) 4.262 8.885 ( -0.432 1.996 3.741) 4.262 9.038 ( -1.336 -2.306 -2.036) 3.354 9.038 ( -1.336 2.306 -2.036) 3.354 9.227 ( 0.578 -0.544 -0.290) 0.845 9.227 ( 0.578 0.544 -0.290) 0.845 9.435 ( -0.800 -3.329 0.186) 3.429 9.435 ( -0.800 3.329 0.186) 3.429 9.548 ( -0.157 -2.640 1.221) 2.913 9.548 ( -0.157 2.640 1.221) 2.913 9.753 ( 2.656 -0.470 4.683) 5.405 9.753 ( 2.656 0.470 4.683) 5.405 9.993 ( -2.058 -1.472 -0.792) 2.651 9.993 ( -2.058 1.472 -0.792) 2.651 10.216 ( -0.147 -3.003 4.169) 5.140 10.216 ( -0.147 3.003 4.169) 5.140 10.320 ( 1.762 -3.530 -3.038) 4.980 10.320 ( 1.762 3.530 -3.038) 4.980 10.510 ( 0.925 -1.078 0.488) 1.501 10.510 ( 0.925 1.078 0.488) 1.501 10.789 ( 0.058 -0.797 3.138) 3.238 10.789 ( 0.058 0.797 3.138) 3.238 11.053 ( 2.147 -1.431 0.365) 2.606 11.053 ( 2.147 1.431 0.365) 2.606 11.196 ( -3.428 -2.305 -3.089) 5.158 11.196 ( -3.428 2.305 -3.089) 5.158 11.919 ( 2.277 -1.857 3.101) 4.271 11.919 ( 2.277 1.857 3.101) 4.271 12.036 ( -3.108 -1.592 -4.977) 6.080 12.036 ( -3.108 1.592 -4.977) 6.080 12.138 ( -0.739 -0.646 -1.059) 1.444 12.138 ( -0.739 0.646 -1.059) 1.444 12.377 ( 0.081 -2.820 -0.408) 2.851 12.377 ( 0.081 2.820 -0.408) 2.851 12.434 ( -0.735 -2.356 4.004) 4.703 12.434 ( -0.735 2.356 4.004) 4.703 12.574 ( 1.530 -4.066 -5.002) 6.625 12.574 ( 1.530 4.066 -5.002) 6.625 12.807 ( -0.977 -1.895 1.129) 2.413 12.807 ( -0.977 1.895 1.129) 2.413 12.984 ( 0.675 -2.906 2.016) 3.601 12.984 ( 0.675 2.906 2.016) 3.601 13.237 ( -0.018 -3.444 4.496) 5.664 13.237 ( -0.018 3.444 4.496) 5.664 13.364 ( -1.206 -5.484 -5.864) 8.119 13.364 ( -1.206 5.484 -5.864) 8.119 13.592 ( 0.991 -1.056 -1.511) 2.093 13.592 ( 0.991 1.056 -1.511) 2.093 13.764 ( -0.072 -1.383 -0.290) 1.415 13.764 ( -0.072 1.383 -0.290) 1.415 13.920 ( 0.577 -0.963 0.600) 1.272 13.920 ( 0.577 0.963 0.600) 1.272 14.225 ( -0.333 -2.637 2.090) 3.381 14.225 ( -0.333 2.637 2.090) 3.381 14.514 ( -1.295 -3.242 -1.297) 3.725 14.514 ( -1.295 3.242 -1.297) 3.725 14.819 ( 0.926 -5.629 -2.180) 6.107 14.819 ( 0.926 5.629 -2.180) 6.107 15.159 ( 1.279 -2.175 -0.845) 2.661 15.159 ( 1.279 2.175 -0.845) 2.661 15.393 ( 0.451 -0.513 2.097) 2.206 15.393 ( 0.451 0.513 2.097) 2.206 15.501 ( -0.056 -0.210 -1.330) 1.347 15.501 ( -0.056 0.210 -1.330) 1.347 15.984 ( -0.265 -2.133 1.583) 2.669 15.984 ( -0.265 2.133 1.583) 2.669 16.034 ( -2.131 -4.806 4.211) 6.735 16.034 ( -2.131 4.806 4.211) 6.735 16.320 ( 1.369 -3.129 -4.675) 5.790 16.320 ( 1.369 3.129 -4.675) 5.790 16.684 ( 0.083 -7.725 4.112) 8.752 16.684 ( 0.083 7.725 4.112) 8.752 16.892 ( -0.048 -3.291 -2.262) 3.993 16.892 ( -0.048 3.291 -2.262) 3.993 19.236 ( -0.590 -2.219 0.462) 2.342 19.236 ( -0.590 2.219 0.462) 2.342 19.411 ( 0.447 -2.422 -0.449) 2.503 19.411 ( 0.447 2.422 -0.449) 2.503 21.128 ( 0.999 -1.980 2.095) 3.051 21.128 ( 0.999 1.980 2.095) 3.051 21.190 ( -0.817 -1.545 0.030) 1.748 21.190 ( -0.817 1.545 0.030) 1.748 24.974 ( -0.421 -0.233 -0.680) 0.833 24.974 ( -0.421 0.233 -0.680) 0.833 25.382 ( -0.622 -1.170 -0.944) 1.627 25.382 ( -0.622 1.170 -0.944) 1.627 25.980 ( 1.068 -1.050 3.698) 3.990 25.980 ( 1.068 1.050 3.698) 3.990 26.054 ( -1.234 -0.589 -3.406) 3.670 26.054 ( -1.234 0.589 -3.406) 3.670 26.553 ( 1.254 -0.883 -2.349) 2.805 26.553 ( 1.254 0.883 -2.349) 2.805 26.941 ( -0.576 -0.281 -1.607) 1.730 26.941 ( -0.576 0.281 -1.607) 1.730 27.269 ( -0.460 -0.347 0.561) 0.804 27.269 ( -0.460 0.347 0.561) 0.804 27.427 ( 0.188 -0.136 1.574) 1.591 27.427 ( 0.188 0.136 1.574) 1.591 27.705 ( -3.149 -3.163 2.048) 4.911 27.705 ( -3.149 3.163 2.048) 4.911 27.756 ( 1.167 -2.345 -3.265) 4.186 27.756 ( 1.167 2.345 -3.265) 4.186 28.144 ( 0.003 -3.601 2.919) 4.636 28.144 ( 0.003 3.601 2.919) 4.636 28.248 ( 0.817 -2.440 -1.880) 3.187 28.248 ( 0.817 2.440 -1.880) 3.187 28.488 ( -0.928 -3.704 6.185) 7.269 28.488 ( -0.928 3.704 6.185) 7.269 28.533 ( 2.424 -3.806 1.582) 4.781 28.533 ( 2.424 3.806 1.582) 4.781 28.723 ( -1.261 -5.752 -4.762) 7.573 28.723 ( -1.261 5.752 -4.762) 7.573 29.342 ( 1.547 -7.341 0.253) 7.506 29.342 ( 1.547 7.341 0.253) 7.506 29.845 ( -0.224 -3.899 -0.448) 3.931 29.845 ( -0.224 3.899 -0.448) 3.931 30.123 ( -0.358 -2.546 2.298) 3.448 30.123 ( -0.358 2.546 2.298) 3.448 30.645 ( -1.642 -5.752 1.899) 6.276 30.645 ( -1.642 5.752 1.899) 6.276 31.229 ( 1.999 -2.278 -5.691) 6.447 31.229 ( 1.999 2.278 -5.691) 6.447 ======================= Grid point 111 (61/63) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -19.774 -4.144 -3.727) 20.544 2.202 ( -19.774 4.144 -3.727) 20.544 2.328 ( -21.869 -3.355 -6.548) 23.073 2.328 ( -21.869 3.355 -6.548) 23.073 2.622 ( -1.176 -9.998 -2.504) 10.374 2.622 ( -1.176 9.998 -2.504) 10.374 2.858 ( 4.409 -15.615 -1.060) 16.260 2.858 ( 4.409 15.615 -1.060) 16.260 3.088 ( 1.889 -4.006 -11.500) 12.323 3.088 ( 1.889 4.006 -11.500) 12.323 3.249 ( 1.267 -3.966 -2.003) 4.620 3.249 ( 1.267 3.966 -2.003) 4.620 3.482 ( 4.663 -2.306 5.646) 7.677 3.482 ( 4.663 2.306 5.646) 7.677 3.652 ( 1.983 -1.959 -7.261) 7.778 3.652 ( 1.983 1.959 -7.261) 7.778 3.711 ( -2.066 -7.852 4.855) 9.460 3.711 ( -2.066 7.852 4.855) 9.460 3.932 ( 1.354 -6.205 7.837) 10.087 3.932 ( 1.354 6.205 7.837) 10.087 4.113 ( -1.513 -4.910 -2.786) 5.844 4.113 ( -1.513 4.910 -2.786) 5.844 4.145 ( -6.119 -3.541 -4.556) 8.411 4.145 ( -6.119 3.541 -4.556) 8.411 4.326 ( -3.998 -5.698 -1.759) 7.179 4.326 ( -3.998 5.698 -1.759) 7.179 4.538 ( 3.250 -3.700 7.099) 8.640 4.538 ( 3.250 3.700 7.099) 8.640 4.642 ( -3.193 -13.004 2.598) 13.640 4.642 ( -3.193 13.004 2.598) 13.640 4.718 ( -0.801 -1.381 2.356) 2.846 4.718 ( -0.801 1.381 2.356) 2.846 4.802 ( -3.668 -0.902 2.781) 4.690 4.802 ( -3.668 0.902 2.781) 4.690 4.951 ( 2.100 -5.763 5.124) 7.992 4.951 ( 2.100 5.763 5.124) 7.992 5.064 ( 1.162 -3.791 -3.556) 5.325 5.064 ( 1.162 3.791 -3.556) 5.326 5.243 ( 8.305 -9.676 0.377) 12.757 5.243 ( 8.305 9.676 0.377) 12.757 5.444 ( -1.648 -4.059 1.337) 4.581 5.444 ( -1.648 4.059 1.337) 4.581 5.534 ( 6.264 -2.514 -1.548) 6.925 5.534 ( 6.264 2.514 -1.548) 6.925 5.575 ( 3.559 -2.682 -1.777) 4.798 5.575 ( 3.559 2.682 -1.777) 4.798 5.712 ( 0.950 -7.476 -3.435) 8.282 5.712 ( 0.950 7.476 -3.435) 8.282 5.872 ( 0.133 -4.820 -3.000) 5.679 5.872 ( 0.133 4.820 -3.000) 5.679 5.988 ( -2.594 -3.140 2.845) 4.968 5.988 ( -2.594 3.140 2.845) 4.968 6.070 ( 4.271 -1.440 0.762) 4.571 6.070 ( 4.271 1.440 0.762) 4.571 6.273 ( 4.485 -2.937 -1.473) 5.560 6.273 ( 4.485 2.937 -1.473) 5.560 6.391 ( 0.961 -7.226 1.526) 7.447 6.391 ( 0.961 7.226 1.526) 7.447 6.589 ( 4.268 -0.351 1.273) 4.468 6.589 ( 4.268 0.351 1.273) 4.468 6.765 ( 1.466 -1.110 5.756) 6.043 6.765 ( 1.466 1.110 5.756) 6.043 6.847 ( 1.703 -2.383 0.044) 2.929 6.847 ( 1.703 2.383 0.044) 2.929 7.127 ( -4.122 -5.758 5.218) 8.796 7.127 ( -4.122 5.758 5.218) 8.796 7.278 ( 0.112 -5.947 -3.717) 7.014 7.278 ( 0.112 5.947 -3.717) 7.014 7.519 ( -3.598 -5.221 0.115) 6.342 7.519 ( -3.598 5.221 0.115) 6.342 7.654 ( 3.154 -1.307 -2.006) 3.959 7.654 ( 3.154 1.307 -2.006) 3.959 7.905 ( 4.713 -3.914 1.338) 6.270 7.905 ( 4.713 3.914 1.338) 6.270 7.950 ( 4.588 -4.305 -1.886) 6.569 7.950 ( 4.588 4.305 -1.886) 6.569 8.335 ( 0.756 -2.257 0.318) 2.401 8.335 ( 0.756 2.257 0.318) 2.401 8.568 ( -0.416 -1.484 -1.153) 1.925 8.568 ( -0.416 1.484 -1.153) 1.925 8.664 ( 1.203 -3.634 -3.412) 5.128 8.664 ( 1.203 3.634 -3.412) 5.128 8.937 ( 1.567 -3.803 0.296) 4.124 8.937 ( 1.567 3.803 0.296) 4.124 9.025 ( 1.015 -6.688 2.280) 7.139 9.025 ( 1.015 6.688 2.280) 7.139 9.239 ( 1.340 -4.178 -1.087) 4.520 9.239 ( 1.340 4.178 -1.087) 4.520 9.374 ( -6.728 -4.649 0.983) 8.237 9.374 ( -6.728 4.649 0.983) 8.237 9.538 ( -1.794 -3.144 0.506) 3.655 9.538 ( -1.794 3.144 0.506) 3.655 9.707 ( -6.590 -1.044 -3.975) 7.767 9.707 ( -6.590 1.044 -3.975) 7.767 9.995 ( -0.514 -2.050 2.498) 3.272 9.995 ( -0.514 2.050 2.498) 3.272 10.164 ( -4.815 -5.418 -0.677) 7.280 10.164 ( -4.815 5.418 -0.677) 7.280 10.369 ( 4.156 -4.286 -1.923) 6.273 10.369 ( 4.156 4.286 -1.923) 6.273 10.508 ( -0.109 -1.151 -1.282) 1.726 10.508 ( -0.109 1.151 -1.282) 1.726 10.807 ( -0.622 -7.031 0.088) 7.059 10.807 ( -0.622 7.031 0.088) 7.059 11.014 ( -2.846 -2.278 -2.449) 4.391 11.014 ( -2.846 2.278 -2.449) 4.391 11.235 ( 4.650 -3.281 4.340) 7.157 11.235 ( 4.650 3.281 4.340) 7.157 11.910 ( -2.109 -2.868 -2.308) 4.242 11.910 ( -2.109 2.868 -2.308) 4.242 12.058 ( 4.457 -1.929 4.228) 6.439 12.058 ( 4.457 1.929 4.228) 6.439 12.143 ( 1.085 -1.938 0.174) 2.227 12.143 ( 1.085 1.938 0.174) 2.227 12.352 ( -2.817 -1.537 1.647) 3.607 12.352 ( -2.817 1.537 1.647) 3.607 12.475 ( 2.443 -1.284 -0.061) 2.761 12.475 ( 2.443 1.284 -0.061) 2.761 12.554 ( 0.893 -0.457 -2.096) 2.323 12.554 ( 0.893 0.457 -2.096) 2.323 12.820 ( 1.549 -3.338 1.030) 3.822 12.820 ( 1.549 3.338 1.030) 3.822 13.028 ( 3.009 -3.903 -0.746) 4.985 13.028 ( 3.009 3.903 -0.746) 4.985 13.259 ( -2.645 -3.907 -1.181) 4.864 13.259 ( -2.645 3.907 -1.181) 4.864 13.326 ( 1.294 -5.909 3.902) 7.198 13.326 ( 1.294 5.909 3.902) 7.198 13.572 ( -1.631 -0.533 -2.066) 2.686 13.572 ( -1.631 0.533 -2.066) 2.686 13.664 ( -8.955 -3.134 -0.451) 9.498 13.664 ( -8.955 3.134 -0.451) 9.498 13.930 ( 2.024 -5.355 -0.218) 5.729 13.930 ( 2.024 5.355 -0.218) 5.729 14.343 ( 8.901 -1.891 -0.028) 9.100 14.343 ( 8.901 1.891 -0.028) 9.100 14.527 ( 2.225 -1.363 2.496) 3.611 14.527 ( 2.225 1.363 2.496) 3.611 14.811 ( 0.366 -2.792 -1.765) 3.323 14.811 ( 0.366 2.792 -1.765) 3.323 15.163 ( 1.163 -3.341 -2.126) 4.128 15.163 ( 1.163 3.341 -2.126) 4.128 15.387 ( -1.208 -1.377 -0.973) 2.075 15.387 ( -1.208 1.377 -0.973) 2.075 15.530 ( 3.377 -0.727 0.371) 3.474 15.530 ( 3.377 0.727 0.371) 3.474 15.989 ( -0.303 -4.806 0.162) 4.818 15.989 ( -0.303 4.806 0.162) 4.818 16.044 ( -1.844 -3.240 4.618) 5.936 16.044 ( -1.844 3.240 4.618) 5.936 16.264 ( -2.954 -2.662 -3.049) 5.011 16.264 ( -2.954 2.662 -3.049) 5.011 16.691 ( -1.777 -4.775 -0.962) 5.185 16.691 ( -1.777 4.775 -0.962) 5.185 16.869 ( -1.161 -2.163 0.725) 2.560 16.869 ( -1.161 2.163 0.725) 2.560 19.241 ( 0.235 -2.387 1.172) 2.670 19.241 ( 0.235 2.387 1.172) 2.670 19.425 ( 1.754 -3.361 -0.988) 3.918 19.425 ( 1.754 3.361 -0.988) 3.918 21.105 ( -2.899 -4.544 -1.135) 5.509 21.105 ( -2.899 4.544 -1.135) 5.509 21.207 ( 0.912 -1.210 0.807) 1.717 21.207 ( 0.912 1.210 0.807) 1.717 24.968 ( -0.267 -0.154 0.873) 0.926 24.968 ( -0.267 0.154 0.873) 0.926 25.363 ( -1.587 -1.233 1.124) 2.303 25.363 ( -1.587 1.233 1.124) 2.303 25.999 ( -0.744 -0.627 -3.476) 3.610 25.999 ( -0.744 0.627 -3.476) 3.610 26.045 ( 1.730 -1.110 3.797) 4.317 26.045 ( 1.730 1.110 3.797) 4.317 26.530 ( -1.336 -0.342 -2.141) 2.546 26.530 ( -1.336 0.342 -2.141) 2.546 26.948 ( 1.594 -3.212 1.050) 3.736 26.948 ( 1.594 3.212 1.050) 3.736 27.247 ( -2.471 -2.049 0.767) 3.300 27.247 ( -2.471 2.049 0.767) 3.300 27.459 ( 2.009 -1.616 -0.016) 2.578 27.459 ( 2.009 1.616 -0.016) 2.578 27.602 ( -7.609 -3.226 1.306) 8.367 27.602 ( -7.609 3.226 1.306) 8.367 27.824 ( 4.617 -5.717 1.863) 7.581 27.824 ( 4.617 5.717 1.863) 7.581 28.161 ( 0.099 -1.343 0.017) 1.347 28.161 ( 0.099 1.343 0.017) 1.347 28.230 ( -0.562 -2.911 -1.049) 3.145 28.230 ( -0.562 2.911 -1.049) 3.145 28.444 ( -4.279 -2.931 0.008) 5.187 28.444 ( -4.279 2.931 0.008) 5.187 28.586 ( 1.300 -4.689 -3.405) 5.939 28.586 ( 1.300 4.689 -3.405) 5.939 28.774 ( 8.183 -3.983 2.653) 9.479 28.774 ( 8.183 3.983 2.653) 9.479 29.374 ( 3.405 -3.107 -2.975) 5.486 29.374 ( 3.405 3.107 -2.975) 5.486 29.834 ( -1.051 -4.065 0.434) 4.221 29.834 ( -1.051 4.065 0.434) 4.221 30.164 ( 2.804 -4.989 0.827) 5.783 30.164 ( 2.804 4.989 0.827) 5.783 30.606 ( -5.090 -3.599 2.563) 6.740 30.606 ( -5.090 3.599 2.563) 6.740 31.186 ( -1.617 -4.622 -3.358) 5.938 31.186 ( -1.617 4.622 -3.358) 5.938 ======================= Grid point 113 (62/63) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -19.556 -16.900 -5.638) 26.454 1.672 ( -19.556 16.900 -5.638) 26.454 2.082 ( -14.106 -12.765 6.929) 20.247 2.082 ( -14.106 12.765 6.929) 20.247 2.540 ( -4.689 -10.176 -0.435) 11.213 2.540 ( -4.689 10.176 -0.435) 11.213 2.843 ( -1.326 -7.746 -3.753) 8.709 2.843 ( -1.326 7.746 -3.753) 8.709 2.983 ( 5.886 -4.482 -15.551) 17.221 2.983 ( 5.886 4.482 -15.551) 17.221 3.276 ( -1.447 -2.102 6.454) 6.940 3.276 ( -1.447 2.102 6.454) 6.940 3.481 ( -2.165 -13.853 -5.956) 15.234 3.481 ( -2.165 13.853 -5.956) 15.234 3.588 ( 0.401 -1.184 -5.424) 5.566 3.588 ( 0.401 1.184 -5.424) 5.566 3.822 ( -1.087 -6.226 9.245) 11.199 3.822 ( -1.087 6.226 9.245) 11.199 3.917 ( -5.934 -3.594 -0.853) 6.990 3.917 ( -5.934 3.594 -0.853) 6.990 4.033 ( 0.409 -4.846 2.452) 5.446 4.033 ( 0.409 4.846 2.452) 5.446 4.111 ( -1.396 -4.213 -0.557) 4.473 4.111 ( -1.396 4.213 -0.557) 4.473 4.276 ( -2.572 -6.078 5.059) 8.316 4.276 ( -2.572 6.078 5.059) 8.316 4.564 ( -3.381 -5.933 4.239) 8.037 4.564 ( -3.381 5.933 4.239) 8.037 4.701 ( 3.894 -6.571 -2.311) 7.980 4.701 ( 3.894 6.571 -2.311) 7.980 4.752 ( 2.292 -5.472 3.973) 7.140 4.752 ( 2.292 5.472 3.973) 7.140 4.862 ( 2.653 -2.650 3.862) 5.383 4.862 ( 2.653 2.650 3.862) 5.383 5.025 ( 2.715 -9.523 2.812) 10.294 5.025 ( 2.715 9.523 2.812) 10.294 5.080 ( 3.591 -4.647 -2.532) 6.396 5.080 ( 3.591 4.647 -2.532) 6.396 5.312 ( -1.995 -5.240 -0.104) 5.608 5.312 ( -1.995 5.240 -0.104) 5.608 5.396 ( 0.613 -7.252 -4.680) 8.653 5.396 ( 0.613 7.252 -4.680) 8.653 5.577 ( 1.708 -5.567 -4.544) 7.387 5.577 ( 1.708 5.567 -4.544) 7.387 5.596 ( -1.859 -4.839 0.292) 5.192 5.596 ( -1.859 4.839 0.292) 5.192 5.722 ( 5.188 -4.421 -3.082) 7.481 5.722 ( 5.188 4.421 -3.082) 7.481 5.886 ( 2.704 -6.013 1.014) 6.670 5.886 ( 2.704 6.013 1.014) 6.670 6.032 ( 4.131 -4.262 -1.323) 6.081 6.032 ( 4.131 4.262 -1.323) 6.081 6.135 ( 1.677 -4.460 0.570) 4.799 6.135 ( 1.677 4.460 0.570) 4.799 6.250 ( 0.245 -3.761 -3.012) 4.825 6.250 ( 0.245 3.761 -3.012) 4.825 6.484 ( 0.649 -3.973 3.673) 5.450 6.484 ( 0.649 3.973 3.673) 5.450 6.662 ( 3.306 -3.103 0.543) 4.567 6.662 ( 3.306 3.103 0.543) 4.567 6.834 ( -0.421 -1.284 3.560) 3.808 6.834 ( -0.421 1.284 3.560) 3.808 6.925 ( 5.753 -5.276 0.609) 7.830 6.925 ( 5.753 5.276 0.609) 7.830 7.134 ( -2.241 -5.234 7.042) 9.056 7.134 ( -2.241 5.234 7.042) 9.056 7.232 ( -0.223 -4.122 -1.819) 4.511 7.232 ( -0.223 4.122 -1.819) 4.511 7.474 ( -2.499 -4.421 0.826) 5.145 7.474 ( -2.499 4.421 0.826) 5.145 7.659 ( 1.729 -4.615 -5.700) 7.535 7.659 ( 1.729 4.615 -5.700) 7.535 7.958 ( 1.271 -1.372 0.346) 1.902 7.958 ( 1.271 1.372 0.346) 1.902 8.076 ( 7.431 -2.308 2.655) 8.222 8.076 ( 7.431 2.308 2.655) 8.222 8.366 ( 4.815 -1.434 -3.995) 6.419 8.366 ( 4.815 1.434 -3.995) 6.419 8.570 ( 2.051 -1.328 0.010) 2.443 8.570 ( 2.051 1.328 0.010) 2.443 8.682 ( 4.323 -5.817 -0.282) 7.253 8.682 ( 4.323 5.817 -0.282) 7.253 8.898 ( -4.678 -5.333 -1.142) 7.185 8.898 ( -4.678 5.333 -1.142) 7.185 9.089 ( 0.940 -4.832 2.061) 5.337 9.089 ( 0.940 4.832 2.061) 5.337 9.215 ( -4.447 -5.353 -2.427) 7.370 9.215 ( -4.447 5.353 -2.427) 7.370 9.277 ( -2.640 -3.161 1.119) 4.268 9.277 ( -2.640 3.161 1.119) 4.268 9.502 ( -1.010 -7.165 -1.437) 7.377 9.502 ( -1.010 7.165 -1.437) 7.377 9.576 ( -3.489 -1.417 -0.891) 3.870 9.576 ( -3.489 1.417 -0.891) 3.870 9.959 ( -4.286 -1.500 0.029) 4.541 9.959 ( -4.286 1.500 0.029) 4.541 10.100 ( -1.630 -6.014 -1.673) 6.451 10.100 ( -1.630 6.014 -1.673) 6.451 10.387 ( 0.087 -3.905 -1.189) 4.083 10.387 ( 0.087 3.905 -1.189) 4.083 10.517 ( 2.709 -3.074 -0.558) 4.135 10.517 ( 2.709 3.074 -0.558) 4.135 10.792 ( -1.300 -6.730 1.920) 7.118 10.792 ( -1.300 6.730 1.920) 7.118 10.960 ( -0.722 -4.970 -1.912) 5.374 10.960 ( -0.722 4.970 -1.912) 5.374 11.328 ( 1.588 -3.679 0.775) 4.082 11.328 ( 1.588 3.679 0.775) 4.082 11.890 ( 0.012 -3.410 1.080) 3.577 11.890 ( 0.012 3.410 1.080) 3.577 12.129 ( -1.687 -1.157 0.786) 2.191 12.129 ( -1.687 1.157 0.786) 2.191 12.197 ( 5.373 -5.220 3.146) 8.125 12.197 ( 5.373 5.220 3.146) 8.125 12.348 ( -1.520 -1.703 5.140) 5.624 12.348 ( -1.520 1.703 5.140) 5.624 12.491 ( 2.556 -4.189 -3.905) 6.271 12.491 ( 2.556 4.189 -3.905) 6.271 12.584 ( 2.477 -3.618 0.835) 4.463 12.584 ( 2.477 3.618 0.835) 4.463 12.880 ( 3.693 -6.585 1.569) 7.712 12.880 ( 3.693 6.585 1.569) 7.712 13.047 ( 1.737 -3.984 -5.398) 6.930 13.047 ( 1.737 3.984 -5.398) 6.930 13.199 ( -2.166 -0.410 0.731) 2.323 13.199 ( -2.166 0.410 0.731) 2.323 13.376 ( -3.966 -4.373 4.335) 7.325 13.376 ( -3.966 4.373 4.335) 7.325 13.478 ( -4.734 -2.338 2.019) 5.653 13.478 ( -4.734 2.338 2.019) 5.653 13.596 ( 2.292 -2.546 -1.752) 3.848 13.596 ( 2.292 2.546 -1.752) 3.848 13.997 ( 3.704 -7.998 2.872) 9.270 13.997 ( 3.704 7.998 2.872) 9.270 14.441 ( 4.692 -3.328 -3.487) 6.727 14.441 ( 4.692 3.328 -3.487) 6.727 14.613 ( 2.851 -4.769 2.962) 6.296 14.613 ( 2.851 4.769 2.962) 6.296 14.790 ( -0.312 -1.323 -2.624) 2.955 14.790 ( -0.312 1.323 -2.624) 2.955 15.169 ( 2.687 -7.725 -2.892) 8.675 15.169 ( 2.687 7.725 -2.892) 8.675 15.362 ( 0.583 -3.208 -2.129) 3.894 15.362 ( 0.583 3.208 -2.129) 3.894 15.605 ( 4.379 -2.164 0.883) 4.964 15.605 ( 4.379 2.164 0.883) 4.964 15.957 ( -2.860 -6.892 -2.915) 8.011 15.957 ( -2.860 6.892 -2.915) 8.011 16.064 ( -1.058 -4.004 4.296) 5.968 16.064 ( -1.058 4.004 4.296) 5.968 16.178 ( -4.636 -1.504 0.380) 4.889 16.178 ( -4.636 1.504 0.380) 4.889 16.627 ( -2.394 -5.355 -2.671) 6.446 16.627 ( -2.394 5.355 -2.671) 6.446 16.847 ( -2.211 -3.933 -0.779) 4.579 16.847 ( -2.211 3.933 -0.779) 4.579 19.264 ( 0.688 -3.555 1.246) 3.829 19.264 ( 0.688 3.555 1.246) 3.829 19.435 ( 0.745 -4.823 -2.180) 5.346 19.435 ( 0.745 4.823 -2.180) 5.346 21.045 ( -1.974 -4.709 -1.273) 5.263 21.045 ( -1.974 4.709 -1.273) 5.263 21.210 ( -1.250 -2.743 0.156) 3.018 21.210 ( -1.250 2.743 0.156) 3.018 24.981 ( 0.001 -0.806 1.954) 2.113 24.981 ( 0.001 0.806 1.954) 2.113 25.348 ( -2.419 -2.959 2.484) 4.558 25.348 ( -2.419 2.959 2.484) 4.558 25.962 ( 0.166 -1.083 -2.624) 2.844 25.962 ( 0.166 1.083 -2.624) 2.844 26.110 ( 1.667 -1.147 2.905) 3.540 26.110 ( 1.667 1.147 2.905) 3.540 26.480 ( -2.293 -1.726 -0.186) 2.876 26.480 ( -2.293 1.726 -0.186) 2.876 27.002 ( 2.168 -4.534 2.231) 5.498 27.002 ( 2.168 4.534 2.231) 5.498 27.204 ( -3.705 -3.107 0.698) 4.885 27.204 ( -3.705 3.107 0.698) 4.885 27.476 ( -0.684 -0.907 -2.869) 3.086 27.476 ( -0.684 0.907 -2.869) 3.086 27.484 ( -4.879 -3.047 1.385) 5.916 27.484 ( -4.879 3.047 1.385) 5.916 27.937 ( 2.936 -2.301 4.374) 5.748 27.937 ( 2.936 2.301 4.374) 5.748 28.159 ( 1.096 -5.024 -3.126) 6.017 28.159 ( 1.096 5.024 -3.126) 6.017 28.216 ( 0.115 -1.138 1.700) 2.049 28.216 ( 0.115 1.138 1.700) 2.049 28.388 ( -1.396 -6.815 -0.913) 7.016 28.388 ( -1.396 6.815 -0.913) 7.016 28.567 ( 2.625 -3.391 -4.331) 6.095 28.567 ( 2.625 3.391 -4.331) 6.095 28.970 ( 10.137 -3.805 3.453) 11.365 28.970 ( 10.137 3.805 3.453) 11.365 29.389 ( 3.051 -3.714 -5.293) 7.150 29.389 ( 3.051 3.714 -5.293) 7.150 29.822 ( -1.795 -7.535 2.321) 8.086 29.822 ( -1.795 7.535 2.321) 8.086 30.207 ( 0.644 -4.729 0.363) 4.786 30.207 ( 0.644 4.729 0.363) 4.786 30.546 ( -3.332 -7.654 1.728) 8.525 30.546 ( -3.332 7.654 1.728) 8.525 31.103 ( -5.300 -6.377 -1.913) 8.509 31.103 ( -5.300 6.377 -1.913) 8.509 ======================= Grid point 115 (63/63) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 8.278 -15.117 24.426) 29.895 1.694 ( 8.278 15.117 24.426) 29.895 1.975 ( -6.971 -15.686 11.438) 20.626 1.975 ( -6.971 15.686 11.438) 20.626 2.464 ( -1.454 -9.199 -4.855) 10.503 2.464 ( -1.454 9.199 -4.855) 10.503 2.850 ( 1.618 -4.915 4.184) 6.654 2.850 ( 1.618 4.915 4.184) 6.654 2.978 ( 6.071 -6.338 -7.103) 11.290 2.978 ( 6.071 6.338 -7.103) 11.290 3.295 ( -4.329 -7.431 1.999) 8.830 3.295 ( -4.329 7.431 1.999) 8.830 3.386 ( -0.148 -6.901 -0.653) 6.934 3.386 ( -0.148 6.901 -0.653) 6.934 3.602 ( 4.697 -3.706 -1.345) 6.132 3.602 ( 4.697 3.706 -1.345) 6.132 3.799 ( -6.515 -4.909 1.796) 8.353 3.799 ( -6.515 4.909 1.796) 8.353 3.850 ( -3.264 -1.886 3.202) 4.946 3.850 ( -3.264 1.886 3.202) 4.946 4.051 ( -0.357 -1.275 0.033) 1.324 4.051 ( -0.357 1.275 0.033) 1.324 4.114 ( 0.941 -0.876 4.257) 4.447 4.114 ( 0.941 0.876 4.257) 4.447 4.286 ( -1.865 -0.823 -0.904) 2.230 4.286 ( -1.865 0.823 -0.904) 2.230 4.554 ( -0.138 -11.743 2.416) 11.990 4.554 ( -0.138 11.743 2.416) 11.990 4.706 ( -3.262 -5.158 1.678) 6.330 4.706 ( -3.262 5.158 1.678) 6.330 4.807 ( 0.445 -1.613 0.011) 1.673 4.807 ( 0.445 1.613 0.011) 1.673 4.897 ( 1.826 -5.650 -3.973) 7.144 4.897 ( 1.826 5.650 -3.973) 7.144 5.078 ( 1.136 -2.868 -1.852) 3.598 5.078 ( 1.136 2.868 -1.852) 3.598 5.126 ( 2.398 -9.239 -0.998) 9.597 5.126 ( 2.398 9.239 -0.998) 9.597 5.271 ( 0.923 -4.180 -1.939) 4.699 5.271 ( 0.923 4.180 -1.939) 4.699 5.357 ( -1.143 -8.666 0.460) 8.753 5.357 ( -1.143 8.666 0.460) 8.753 5.509 ( -4.376 -2.357 -3.134) 5.876 5.509 ( -4.376 2.357 -3.134) 5.876 5.602 ( 5.183 -5.699 -4.441) 8.892 5.602 ( 5.183 5.699 -4.441) 8.892 5.736 ( 0.969 -4.061 -4.197) 5.920 5.736 ( 0.969 4.061 -4.197) 5.920 5.958 ( 2.886 -2.563 1.925) 4.313 5.958 ( 2.886 2.563 1.925) 4.313 6.027 ( -0.114 -5.962 -6.148) 8.565 6.027 ( -0.114 5.962 -6.148) 8.565 6.180 ( -0.602 -1.519 1.523) 2.234 6.180 ( -0.602 1.519 1.523) 2.234 6.208 ( -0.150 -6.223 -4.674) 7.785 6.208 ( -0.150 6.223 -4.674) 7.785 6.488 ( -1.199 -4.656 3.022) 5.679 6.488 ( -1.199 4.656 3.022) 5.679 6.662 ( -2.084 -3.358 -7.128) 8.150 6.662 ( -2.084 3.358 -7.128) 8.150 6.816 ( -2.975 -1.767 5.036) 6.110 6.816 ( -2.975 1.767 5.036) 6.110 7.030 ( 5.660 -7.041 -1.486) 9.155 7.030 ( 5.660 7.041 -1.486) 9.155 7.155 ( -4.363 -5.164 7.635) 10.198 7.155 ( -4.363 5.164 7.635) 10.198 7.251 ( 2.643 -4.857 -1.508) 5.731 7.251 ( 2.643 4.857 -1.508) 5.731 7.456 ( -0.240 -1.847 2.269) 2.935 7.456 ( -0.240 1.847 2.269) 2.935 7.629 ( 2.471 -7.024 -6.307) 9.759 7.629 ( 2.471 7.024 -6.307) 9.759 7.983 ( -0.492 -2.392 3.180) 4.010 7.983 ( -0.492 2.392 3.180) 4.010 8.159 ( 0.506 -3.367 -0.752) 3.487 8.159 ( 0.506 3.367 -0.752) 3.487 8.435 ( 7.093 -3.662 -4.028) 8.941 8.435 ( 7.093 3.662 -4.028) 8.941 8.636 ( 5.429 -1.834 -0.483) 5.751 8.636 ( 5.429 1.834 -0.483) 5.751 8.767 ( -1.062 -5.112 4.825) 7.109 8.767 ( -1.062 5.112 4.825) 7.109 8.841 ( 3.161 -3.279 -1.075) 4.680 8.841 ( 3.161 3.279 -1.075) 4.680 9.022 ( -8.688 -4.672 0.965) 9.912 9.022 ( -8.688 4.672 0.965) 9.912 9.159 ( 2.218 -5.127 -3.195) 6.436 9.159 ( 2.218 5.127 -3.195) 6.436 9.236 ( -3.332 -4.418 -0.254) 5.539 9.236 ( -3.332 4.418 -0.254) 5.539 9.517 ( 0.505 -1.898 0.085) 1.966 9.517 ( 0.505 1.898 0.085) 1.966 9.568 ( 2.119 -7.727 2.807) 8.490 9.568 ( 2.119 7.727 2.807) 8.490 9.902 ( -1.729 -3.316 -0.711) 3.807 9.902 ( -1.729 3.316 -0.711) 3.807 10.060 ( -0.310 -3.876 -1.190) 4.066 10.060 ( -0.310 3.876 -1.190) 4.066 10.380 ( -0.677 -1.900 1.548) 2.543 10.380 ( -0.677 1.900 1.548) 2.543 10.577 ( 3.553 -5.676 1.003) 6.771 10.577 ( 3.553 5.676 1.003) 6.771 10.797 ( -1.849 -5.715 2.893) 6.667 10.797 ( -1.849 5.715 2.893) 6.667 10.971 ( 3.235 -4.384 0.707) 5.494 10.971 ( 3.235 4.384 0.707) 5.494 11.304 ( -2.646 -2.700 -2.386) 4.470 11.304 ( -2.646 2.700 -2.386) 4.470 11.894 ( -0.538 -2.883 -0.214) 2.941 11.894 ( -0.538 2.883 -0.214) 2.941 12.088 ( -2.281 -1.695 -0.676) 2.922 12.088 ( -2.281 1.695 -0.676) 2.922 12.312 ( 3.831 -5.740 2.146) 7.227 12.312 ( 3.831 5.740 2.146) 7.227 12.371 ( -2.130 -2.525 3.820) 5.050 12.371 ( -2.130 2.525 3.820) 5.050 12.530 ( 4.173 -4.043 0.718) 5.854 12.530 ( 4.173 4.043 0.718) 5.854 12.621 ( 1.637 -2.026 -0.401) 2.635 12.621 ( 1.637 2.026 -0.401) 2.635 12.925 ( -4.368 -7.682 0.527) 8.853 12.925 ( -4.368 7.682 0.527) 8.853 13.013 ( 4.637 -5.896 -2.788) 8.002 13.013 ( 4.637 5.896 -2.788) 8.002 13.196 ( -0.665 -2.739 -0.001) 2.818 13.196 ( -0.665 2.739 -0.001) 2.818 13.323 ( -3.476 -3.949 2.734) 5.930 13.323 ( -3.476 3.949 2.734) 5.930 13.513 ( 4.116 -2.969 3.878) 6.387 13.513 ( 4.116 2.969 3.878) 6.387 13.634 ( 2.548 -2.543 -1.831) 4.039 13.634 ( 2.548 2.543 -1.831) 4.039 14.095 ( 2.108 -5.794 6.308) 8.821 14.095 ( 2.108 5.794 6.308) 8.821 14.449 ( 1.607 -4.875 -5.445) 7.483 14.449 ( 1.607 4.875 -5.445) 7.483 14.639 ( -1.707 -6.335 0.041) 6.561 14.639 ( -1.707 6.335 0.041) 6.561 14.761 ( 0.540 -4.381 -3.048) 5.365 14.761 ( 0.540 4.381 -3.048) 5.365 15.195 ( 3.234 -8.356 -2.574) 9.323 15.195 ( 3.234 8.356 -2.574) 9.323 15.372 ( 2.651 -4.493 -1.249) 5.364 15.372 ( 2.651 4.493 -1.249) 5.364 15.682 ( 3.472 -3.825 -0.302) 5.174 15.682 ( 3.472 3.825 -0.302) 5.174 15.826 ( -6.522 -6.213 -4.883) 10.246 15.826 ( -6.522 6.213 -4.883) 10.246 16.089 ( -1.860 -2.694 4.896) 5.890 16.089 ( -1.860 2.694 4.896) 5.890 16.130 ( -1.350 -3.272 0.075) 3.540 16.130 ( -1.350 3.272 0.075) 3.540 16.579 ( -1.082 -3.360 -0.554) 3.573 16.579 ( -1.082 3.360 -0.554) 3.573 16.771 ( -3.300 -3.111 -4.080) 6.100 16.771 ( -3.300 3.111 -4.080) 6.100 19.264 ( -1.434 -3.353 -1.181) 3.833 19.264 ( -1.434 3.353 -1.181) 3.833 19.414 ( 0.055 -5.661 -1.386) 5.828 19.414 ( 0.055 5.661 -1.386) 5.828 21.034 ( 1.297 -5.007 0.681) 5.216 21.034 ( 1.297 5.007 0.681) 5.216 21.172 ( -3.030 -5.399 -0.057) 6.191 21.172 ( -3.030 5.399 -0.057) 6.191 25.000 ( -0.043 -1.698 1.705) 2.406 25.000 ( -0.043 1.698 1.705) 2.406 25.327 ( -2.604 -3.008 1.913) 4.414 25.327 ( -2.604 3.008 1.913) 4.414 25.947 ( 0.426 -1.458 -1.993) 2.505 25.947 ( 0.426 1.458 -1.993) 2.505 26.144 ( -0.197 -0.614 0.992) 1.183 26.144 ( -0.197 0.614 0.992) 1.183 26.486 ( 1.543 -3.609 4.147) 5.710 26.486 ( 1.543 3.609 4.147) 5.710 27.028 ( -1.909 -1.756 -0.825) 2.722 27.028 ( -1.909 1.756 -0.825) 2.722 27.152 ( -1.786 -1.855 2.071) 3.305 27.152 ( -1.786 1.855 2.071) 3.305 27.371 ( -3.838 -1.579 -2.999) 5.121 27.371 ( -3.838 1.579 -2.999) 5.121 27.507 ( 1.813 -4.518 1.566) 5.114 27.507 ( 1.813 4.518 1.566) 5.114 27.900 ( -5.217 -5.200 -4.605) 8.686 27.900 ( -5.217 5.200 -4.605) 8.686 28.177 ( 1.652 -5.932 0.329) 6.166 28.177 ( 1.652 5.932 0.329) 6.166 28.258 ( -0.102 -4.737 2.195) 5.222 28.258 ( -0.102 4.737 2.195) 5.222 28.388 ( 1.389 -6.318 1.625) 6.670 28.388 ( 1.389 6.318 1.625) 6.670 28.626 ( 7.527 -3.386 -1.754) 8.438 28.626 ( 7.527 3.386 -1.754) 8.438 29.172 ( 9.097 -3.543 2.441) 10.063 29.172 ( 9.097 3.543 2.441) 10.063 29.379 ( 1.182 -2.193 -3.100) 3.977 29.379 ( 1.182 2.193 -3.100) 3.977 29.824 ( -0.992 -6.401 3.506) 7.366 29.824 ( -0.992 6.401 3.506) 7.366 30.188 ( -3.395 -2.262 2.045) 4.563 30.188 ( -3.395 2.262 2.045) 4.563 30.554 ( 3.213 -7.082 -0.097) 7.778 30.554 ( 3.213 7.082 -0.097) 7.778 30.961 ( -8.045 -5.992 -3.128) 10.507 30.961 ( -8.045 5.992 -3.128) 10.507 =================== 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 3/32640 10.0 6763.205 2125.723 3080.526 0.000 -288.327 0.000 3/32640 20.0 428.462 219.987 415.207 0.000 8.512 0.000 3/32640 30.0 118.609 67.430 128.713 0.000 5.150 0.000 3/32640 40.0 54.540 33.091 60.626 0.000 2.652 0.000 3/32640 50.0 32.115 20.401 35.860 0.000 1.596 0.000 3/32640 60.0 21.766 14.292 24.292 0.000 1.085 0.000 3/32640 70.0 16.107 10.835 17.945 0.000 0.802 0.000 3/32640 80.0 12.641 8.657 14.058 0.000 0.628 0.000 3/32640 90.0 10.341 7.180 11.482 0.000 0.513 0.000 3/32640 100.0 8.723 6.121 9.671 0.000 0.431 0.000 3/32640 110.0 7.532 5.331 8.338 0.000 0.372 0.000 3/32640 120.0 6.623 4.720 7.323 0.000 0.326 0.000 3/32640 130.0 5.909 4.235 6.526 0.000 0.290 0.000 3/32640 140.0 5.335 3.843 5.885 0.000 0.261 0.000 3/32640 150.0 4.864 3.518 5.361 0.000 0.237 0.000 3/32640 160.0 4.471 3.246 4.923 0.000 0.218 0.000 3/32640 170.0 4.139 3.014 4.553 0.000 0.201 0.000 3/32640 180.0 3.854 2.815 4.236 0.000 0.186 0.000 3/32640 190.0 3.607 2.641 3.962 0.000 0.174 0.000 3/32640 200.0 3.391 2.489 3.722 0.000 0.163 0.000 3/32640 210.0 3.201 2.354 3.510 0.000 0.153 0.000 3/32640 220.0 3.032 2.234 3.323 0.000 0.145 0.000 3/32640 230.0 2.881 2.126 3.155 0.000 0.137 0.000 3/32640 240.0 2.744 2.029 3.004 0.000 0.130 0.000 3/32640 250.0 2.621 1.941 2.867 0.000 0.124 0.000 3/32640 260.0 2.509 1.860 2.743 0.000 0.118 0.000 3/32640 270.0 2.407 1.787 2.630 0.000 0.113 0.000 3/32640 280.0 2.313 1.719 2.526 0.000 0.108 0.000 3/32640 290.0 2.227 1.657 2.430 0.000 0.103 0.000 3/32640 300.0 2.147 1.599 2.342 0.000 0.099 0.000 3/32640 310.0 2.073 1.545 2.260 0.000 0.096 0.000 3/32640 320.0 2.004 1.495 2.184 0.000 0.092 0.000 3/32640 330.0 1.940 1.449 2.113 0.000 0.089 0.000 3/32640 340.0 1.880 1.405 2.047 0.000 0.086 0.000 3/32640 350.0 1.824 1.364 1.985 0.000 0.083 0.000 3/32640 360.0 1.771 1.325 1.927 0.000 0.080 0.000 3/32640 370.0 1.721 1.289 1.872 0.000 0.078 0.000 3/32640 380.0 1.674 1.255 1.821 0.000 0.075 0.000 3/32640 390.0 1.630 1.222 1.772 0.000 0.073 0.000 3/32640 400.0 1.588 1.192 1.726 0.000 0.071 0.000 3/32640 410.0 1.549 1.162 1.682 0.000 0.069 0.000 3/32640 420.0 1.511 1.135 1.641 0.000 0.067 0.000 3/32640 430.0 1.475 1.108 1.601 0.000 0.066 0.000 3/32640 440.0 1.441 1.083 1.564 0.000 0.064 0.000 3/32640 450.0 1.409 1.059 1.528 0.000 0.062 0.000 3/32640 460.0 1.378 1.036 1.494 0.000 0.061 0.000 3/32640 470.0 1.348 1.014 1.462 0.000 0.059 0.000 3/32640 480.0 1.320 0.993 1.430 0.000 0.058 0.000 3/32640 490.0 1.292 0.973 1.401 0.000 0.057 0.000 3/32640 500.0 1.266 0.954 1.372 0.000 0.055 0.000 3/32640 510.0 1.241 0.935 1.345 0.000 0.054 0.000 3/32640 520.0 1.217 0.918 1.319 0.000 0.053 0.000 3/32640 530.0 1.194 0.901 1.293 0.000 0.052 0.000 3/32640 540.0 1.172 0.884 1.269 0.000 0.051 0.000 3/32640 550.0 1.151 0.868 1.246 0.000 0.050 0.000 3/32640 560.0 1.130 0.853 1.223 0.000 0.049 0.000 3/32640 570.0 1.110 0.838 1.201 0.000 0.048 0.000 3/32640 580.0 1.091 0.824 1.181 0.000 0.047 0.000 3/32640 590.0 1.073 0.810 1.160 0.000 0.046 0.000 3/32640 600.0 1.055 0.797 1.141 0.000 0.045 0.000 3/32640 610.0 1.038 0.784 1.122 0.000 0.044 0.000 3/32640 620.0 1.021 0.771 1.104 0.000 0.044 0.000 3/32640 630.0 1.005 0.759 1.086 0.000 0.043 0.000 3/32640 640.0 0.989 0.748 1.069 0.000 0.042 0.000 3/32640 650.0 0.974 0.736 1.053 0.000 0.041 0.000 3/32640 660.0 0.959 0.725 1.036 0.000 0.041 0.000 3/32640 670.0 0.945 0.715 1.021 0.000 0.040 0.000 3/32640 680.0 0.931 0.704 1.006 0.000 0.039 0.000 3/32640 690.0 0.918 0.694 0.991 0.000 0.039 0.000 3/32640 700.0 0.905 0.684 0.977 0.000 0.038 0.000 3/32640 710.0 0.892 0.675 0.963 0.000 0.038 0.000 3/32640 720.0 0.880 0.666 0.950 0.000 0.037 0.000 3/32640 730.0 0.868 0.657 0.937 0.000 0.037 0.000 3/32640 740.0 0.856 0.648 0.924 0.000 0.036 0.000 3/32640 750.0 0.845 0.639 0.912 0.000 0.035 0.000 3/32640 760.0 0.834 0.631 0.900 0.000 0.035 0.000 3/32640 770.0 0.823 0.623 0.888 0.000 0.034 0.000 3/32640 780.0 0.812 0.615 0.877 0.000 0.034 0.000 3/32640 790.0 0.802 0.607 0.865 0.000 0.034 0.000 3/32640 800.0 0.792 0.600 0.855 0.000 0.033 0.000 3/32640 810.0 0.782 0.593 0.844 0.000 0.033 0.000 3/32640 820.0 0.773 0.586 0.834 0.000 0.032 0.000 3/32640 830.0 0.764 0.579 0.824 0.000 0.032 0.000 3/32640 840.0 0.755 0.572 0.814 0.000 0.031 0.000 3/32640 850.0 0.746 0.565 0.804 0.000 0.031 0.000 3/32640 860.0 0.737 0.559 0.795 0.000 0.031 0.000 3/32640 870.0 0.729 0.552 0.786 0.000 0.030 0.000 3/32640 880.0 0.721 0.546 0.777 0.000 0.030 0.000 3/32640 890.0 0.712 0.540 0.768 0.000 0.030 0.000 3/32640 900.0 0.705 0.534 0.760 0.000 0.029 0.000 3/32640 910.0 0.697 0.528 0.751 0.000 0.029 0.000 3/32640 920.0 0.689 0.523 0.743 0.000 0.029 0.000 3/32640 930.0 0.682 0.517 0.735 0.000 0.028 0.000 3/32640 940.0 0.675 0.512 0.727 0.000 0.028 0.000 3/32640 950.0 0.668 0.506 0.720 0.000 0.028 0.000 3/32640 960.0 0.661 0.501 0.712 0.000 0.027 0.000 3/32640 970.0 0.654 0.496 0.705 0.000 0.027 0.000 3/32640 980.0 0.647 0.491 0.698 0.000 0.027 0.000 3/32640 990.0 0.641 0.486 0.691 0.000 0.026 0.000 3/32640 1000.0 0.635 0.481 0.684 0.000 0.026 0.000 3/32640 Thermal conductivity related properties were written into "kappa-m845.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:35:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|