----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:29:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.741839265722181 -7.276266960000000 0.000000000000000 b 7.741839265722181 7.276266960000000 0.000000000000000 c -2.318933526348420 0.000000000000000 8.170780714840838 Atomic positions (fractional): *1 S 0.97181226921229 0.02818773078771 0.25000000000000 32.065 2 S 0.02818773078771 0.97181226921229 0.75000000000000 32.065 *3 S 0.39030049618270 0.96464041737873 0.77472813409296 32.065 4 S 0.03535958262127 0.60969950381730 0.72527186590704 32.065 5 S 0.60969950381730 0.03535958262127 0.22527186590704 32.065 6 S 0.96464041737872 0.39030049618270 0.27472813409296 32.065 *7 S 0.51910644170723 0.76482553237573 0.45841691810729 32.065 8 S 0.23517446762427 0.48089355829277 0.04158308189271 32.065 9 S 0.48089355829277 0.23517446762427 0.54158308189271 32.065 10 S 0.76482553237573 0.51910644170723 0.95841691810729 32.065 *11 S 0.25110801950764 0.16531612693232 0.09774800546360 32.065 12 S 0.83468387306768 0.74889198049236 0.40225199453640 32.065 13 S 0.74889198049236 0.83468387306768 0.90225199453640 32.065 14 S 0.16531612693232 0.25110801950764 0.59774800546360 32.065 *15 S 0.18496653378710 0.73661326752377 0.44183779387963 32.065 16 S 0.26338673247623 0.81503346621290 0.05816220612037 32.065 *17 S 0.40717543471106 0.59282456528894 0.75000000000000 32.065 18 S 0.59282456528894 0.40717543471106 0.25000000000000 32.065 19 S 0.73661326752377 0.18496653378710 0.94183779387963 32.065 20 S 0.81503346621290 0.26338673247623 0.55816220612037 32.065 *21 Ga 0.37901661082250 0.76540967476621 0.61943685579855 69.723 22 Ga 0.23459032523379 0.62098338917750 0.88056314420145 69.723 23 Ga 0.62098338917750 0.23459032523379 0.38056314420145 69.723 24 Ga 0.76540967476621 0.37901661082250 0.11943685579855 69.723 *25 Ga 0.02049111306385 0.77438986060229 0.58366064813775 69.723 26 Ga 0.22561013939771 0.97950888693615 0.91633935186225 69.723 27 Ga 0.97950888693615 0.22561013939771 0.41633935186225 69.723 28 Ga 0.77438986060229 0.02049111306385 0.08366064813775 69.723 *29 Ba 0.71676103823433 0.98810820003894 0.60773695088621 137.327 30 Ba 0.01189179996106 0.28323896176567 0.89226304911379 137.327 31 Ba 0.28323896176567 0.01189179996106 0.39226304911379 137.327 32 Ba 0.98810820003894 0.71676103823433 0.10773695088621 137.327 *33 Ba 0.73231908567760 0.57330117854211 0.60376989285544 137.327 34 Ba 0.42669882145789 0.26768091432240 0.89623010714456 137.327 35 Ba 0.26768091432240 0.42669882145789 0.39623010714456 137.327 36 Ba 0.57330117854211 0.73231908567760 0.10376989285544 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.483678531444362 0.000000000000000 0.000000000000000 b 0.000000000000000 14.552533920000000 0.000000000000000 c -2.318933526348420 0.000000000000000 8.170780714840838 Atomic positions (fractional): *1 S 0.00000000000000 0.02818773078771 0.25000000000000 32.065 > 1 2 S 0.00000000000000 0.97181226921229 0.75000000000000 32.065 > 2 *3 S 0.17747045678071 0.78716996059801 0.77472813409296 32.065 > 3 4 S 0.82252954321929 0.78716996059801 0.72527186590704 32.065 > 4 5 S 0.82252954321929 0.21283003940199 0.22527186590704 32.065 > 5 6 S 0.17747045678071 0.21283003940199 0.27472813409296 32.065 > 6 *7 S 0.14196598704148 0.62285954533425 0.45841691810729 32.065 > 7 8 S 0.85803401295852 0.62285954533425 0.04158308189271 32.065 > 8 9 S 0.85803401295852 0.37714045466575 0.54158308189271 32.065 > 9 10 S 0.14196598704148 0.37714045466575 0.95841691810729 32.065 > 10 *11 S 0.70821207321998 0.45710405371234 0.09774800546360 32.065 > 11 12 S 0.29178792678002 0.45710405371234 0.40225199453640 32.065 > 12 13 S 0.29178792678002 0.54289594628766 0.90225199453640 32.065 > 13 14 S 0.70821207321998 0.54289594628766 0.59774800546360 32.065 > 14 *15 S 0.96078990065544 0.77582336686834 0.44183779387963 32.065 > 15 16 S 0.03921009934456 0.77582336686834 0.05816220612037 32.065 > 16 *17 S 0.00000000000000 0.59282456528894 0.75000000000000 32.065 > 17 18 S 0.00000000000000 0.40717543471106 0.25000000000000 32.065 > 18 19 S 0.96078990065544 0.22417663313166 0.94183779387963 32.065 > 19 20 S 0.03921009934456 0.22417663313166 0.55816220612037 32.065 > 20 21 S 0.50000000000000 0.52818773078771 0.25000000000000 32.065 > 1 22 S 0.50000000000000 0.47181226921229 0.75000000000000 32.065 > 2 23 S 0.67747045678071 0.28716996059801 0.77472813409296 32.065 > 3 24 S 0.32252954321929 0.28716996059801 0.72527186590704 32.065 > 4 25 S 0.32252954321929 0.71283003940199 0.22527186590704 32.065 > 5 26 S 0.67747045678071 0.71283003940199 0.27472813409296 32.065 > 6 27 S 0.64196598704148 0.12285954533425 0.45841691810729 32.065 > 7 28 S 0.35803401295852 0.12285954533425 0.04158308189271 32.065 > 8 29 S 0.35803401295852 0.87714045466575 0.54158308189271 32.065 > 9 30 S 0.64196598704148 0.87714045466575 0.95841691810729 32.065 > 10 31 S 0.20821207321998 0.95710405371234 0.09774800546360 32.065 > 11 32 S 0.79178792678002 0.95710405371234 0.40225199453640 32.065 > 12 33 S 0.79178792678002 0.04289594628766 0.90225199453640 32.065 > 13 34 S 0.20821207321998 0.04289594628766 0.59774800546360 32.065 > 14 35 S 0.46078990065544 0.27582336686834 0.44183779387963 32.065 > 15 36 S 0.53921009934456 0.27582336686834 0.05816220612037 32.065 > 16 37 S 0.50000000000000 0.09282456528893 0.75000000000000 32.065 > 17 38 S 0.50000000000000 0.90717543471106 0.25000000000000 32.065 > 18 39 S 0.46078990065544 0.72417663313166 0.94183779387963 32.065 > 19 40 S 0.53921009934456 0.72417663313166 0.55816220612037 32.065 > 20 *41 Ga 0.07221314279436 0.69319653197186 0.61943685579855 69.723 > 21 42 Ga 0.92778685720564 0.69319653197186 0.88056314420145 69.723 > 22 43 Ga 0.92778685720564 0.30680346802814 0.38056314420145 69.723 > 23 44 Ga 0.07221314279436 0.30680346802814 0.11943685579855 69.723 > 24 *45 Ga 0.89744048683307 0.87694937376922 0.58366064813775 69.723 > 25 46 Ga 0.10255951316693 0.87694937376922 0.91633935186225 69.723 > 26 47 Ga 0.10255951316693 0.12305062623078 0.41633935186225 69.723 > 27 48 Ga 0.89744048683307 0.12305062623078 0.08366064813775 69.723 > 28 49 Ga 0.57221314279436 0.19319653197186 0.61943685579855 69.723 > 21 50 Ga 0.42778685720564 0.19319653197186 0.88056314420145 69.723 > 22 51 Ga 0.42778685720564 0.80680346802814 0.38056314420145 69.723 > 23 52 Ga 0.57221314279436 0.80680346802814 0.11943685579855 69.723 > 24 53 Ga 0.39744048683307 0.37694937376922 0.58366064813775 69.723 > 25 54 Ga 0.60255951316693 0.37694937376922 0.91633935186225 69.723 > 26 55 Ga 0.60255951316693 0.62305062623078 0.41633935186225 69.723 > 27 56 Ga 0.39744048683307 0.62305062623078 0.08366064813775 69.723 > 28 *57 Ba 0.35243461913664 0.63567358090231 0.60773695088621 137.327 > 29 58 Ba 0.64756538086336 0.63567358090231 0.89226304911379 137.327 > 30 59 Ba 0.64756538086336 0.36432641909769 0.39226304911379 137.327 > 31 60 Ba 0.35243461913664 0.36432641909769 0.10773695088621 137.327 > 32 *61 Ba 0.15281013210986 0.42049104643225 0.60376989285544 137.327 > 33 62 Ba 0.84718986789014 0.42049104643225 0.89623010714456 137.327 > 34 63 Ba 0.84718986789014 0.57950895356775 0.39623010714456 137.327 > 35 64 Ba 0.15281013210986 0.57950895356775 0.10376989285544 137.327 > 36 65 Ba 0.85243461913664 0.13567358090231 0.60773695088621 137.327 > 29 66 Ba 0.14756538086336 0.13567358090231 0.89226304911379 137.327 > 30 67 Ba 0.14756538086336 0.86432641909769 0.39226304911379 137.327 > 31 68 Ba 0.85243461913664 0.86432641909769 0.10773695088621 137.327 > 32 69 Ba 0.65281013210986 0.92049104643225 0.60376989285544 137.327 > 33 70 Ba 0.34718986789014 0.92049104643225 0.89623010714456 137.327 > 34 71 Ba 0.34718986789014 0.07950895356775 0.39623010714456 137.327 > 35 72 Ba 0.65281013210986 0.07950895356775 0.10376989285544 137.327 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.483678531444362 0.000000000000000 0.000000000000000 b 0.000000000000000 14.552533920000000 0.000000000000000 c -4.637867052696840 0.000000000000000 16.341561429681676 Atomic positions (fractional): *1 S 0.00000000000000 0.02818773078771 0.12500000000000 32.065 > 1 2 S 0.00000000000000 0.02818773078771 0.62500000000000 32.065 > 1 3 S 0.00000000000000 0.97181226921229 0.37500000000000 32.065 > 2 4 S 0.00000000000000 0.97181226921229 0.87500000000000 32.065 > 2 *5 S 0.17747045678071 0.78716996059801 0.38736406704648 32.065 > 3 6 S 0.17747045678071 0.78716996059801 0.88736406704648 32.065 > 3 7 S 0.82252954321929 0.78716996059801 0.36263593295352 32.065 > 4 8 S 0.82252954321929 0.78716996059801 0.86263593295352 32.065 > 4 9 S 0.82252954321929 0.21283003940199 0.11263593295352 32.065 > 5 10 S 0.82252954321929 0.21283003940199 0.61263593295352 32.065 > 5 11 S 0.17747045678071 0.21283003940199 0.13736406704648 32.065 > 6 12 S 0.17747045678071 0.21283003940199 0.63736406704648 32.065 > 6 *13 S 0.14196598704148 0.62285954533425 0.22920845905365 32.065 > 7 14 S 0.14196598704148 0.62285954533425 0.72920845905364 32.065 > 7 15 S 0.85803401295852 0.62285954533425 0.02079154094635 32.065 > 8 16 S 0.85803401295852 0.62285954533425 0.52079154094636 32.065 > 8 17 S 0.85803401295852 0.37714045466575 0.27079154094636 32.065 > 9 18 S 0.85803401295852 0.37714045466575 0.77079154094636 32.065 > 9 19 S 0.14196598704148 0.37714045466575 0.47920845905364 32.065 > 10 20 S 0.14196598704148 0.37714045466575 0.97920845905364 32.065 > 10 *21 S 0.70821207321998 0.45710405371234 0.04887400273180 32.065 > 11 22 S 0.70821207321998 0.45710405371234 0.54887400273180 32.065 > 11 23 S 0.29178792678002 0.45710405371234 0.20112599726820 32.065 > 12 24 S 0.29178792678002 0.45710405371234 0.70112599726820 32.065 > 12 25 S 0.29178792678002 0.54289594628766 0.45112599726820 32.065 > 13 26 S 0.29178792678002 0.54289594628766 0.95112599726820 32.065 > 13 27 S 0.70821207321998 0.54289594628766 0.29887400273180 32.065 > 14 28 S 0.70821207321998 0.54289594628766 0.79887400273180 32.065 > 14 *29 S 0.96078990065544 0.77582336686834 0.22091889693981 32.065 > 15 30 S 0.96078990065544 0.77582336686834 0.72091889693981 32.065 > 15 31 S 0.03921009934456 0.77582336686834 0.02908110306019 32.065 > 16 32 S 0.03921009934456 0.77582336686834 0.52908110306019 32.065 > 16 *33 S 0.00000000000000 0.59282456528894 0.37500000000000 32.065 > 17 34 S 0.00000000000000 0.59282456528894 0.87500000000000 32.065 > 17 35 S 0.00000000000000 0.40717543471106 0.12500000000000 32.065 > 18 36 S 0.00000000000000 0.40717543471106 0.62500000000000 32.065 > 18 37 S 0.96078990065544 0.22417663313166 0.47091889693981 32.065 > 19 38 S 0.96078990065544 0.22417663313166 0.97091889693981 32.065 > 19 39 S 0.03921009934456 0.22417663313166 0.27908110306019 32.065 > 20 40 S 0.03921009934456 0.22417663313166 0.77908110306019 32.065 > 20 41 S 0.50000000000000 0.52818773078771 0.12500000000000 32.065 > 1 42 S 0.50000000000000 0.52818773078771 0.62500000000000 32.065 > 1 43 S 0.50000000000000 0.47181226921229 0.37500000000000 32.065 > 2 44 S 0.50000000000000 0.47181226921229 0.87500000000000 32.065 > 2 45 S 0.67747045678071 0.28716996059801 0.38736406704648 32.065 > 3 46 S 0.67747045678071 0.28716996059801 0.88736406704648 32.065 > 3 47 S 0.32252954321929 0.28716996059801 0.36263593295352 32.065 > 4 48 S 0.32252954321929 0.28716996059801 0.86263593295352 32.065 > 4 49 S 0.32252954321929 0.71283003940199 0.11263593295352 32.065 > 5 50 S 0.32252954321929 0.71283003940199 0.61263593295352 32.065 > 5 51 S 0.67747045678071 0.71283003940199 0.13736406704648 32.065 > 6 52 S 0.67747045678071 0.71283003940199 0.63736406704648 32.065 > 6 53 S 0.64196598704148 0.12285954533425 0.22920845905365 32.065 > 7 54 S 0.64196598704148 0.12285954533425 0.72920845905364 32.065 > 7 55 S 0.35803401295852 0.12285954533425 0.02079154094635 32.065 > 8 56 S 0.35803401295852 0.12285954533425 0.52079154094636 32.065 > 8 57 S 0.35803401295852 0.87714045466575 0.27079154094636 32.065 > 9 58 S 0.35803401295852 0.87714045466575 0.77079154094636 32.065 > 9 59 S 0.64196598704148 0.87714045466575 0.47920845905364 32.065 > 10 60 S 0.64196598704148 0.87714045466575 0.97920845905364 32.065 > 10 61 S 0.20821207321998 0.95710405371234 0.04887400273180 32.065 > 11 62 S 0.20821207321998 0.95710405371234 0.54887400273180 32.065 > 11 63 S 0.79178792678002 0.95710405371234 0.20112599726820 32.065 > 12 64 S 0.79178792678002 0.95710405371234 0.70112599726820 32.065 > 12 65 S 0.79178792678002 0.04289594628766 0.45112599726820 32.065 > 13 66 S 0.79178792678002 0.04289594628766 0.95112599726820 32.065 > 13 67 S 0.20821207321998 0.04289594628766 0.29887400273180 32.065 > 14 68 S 0.20821207321998 0.04289594628766 0.79887400273180 32.065 > 14 69 S 0.46078990065544 0.27582336686834 0.22091889693981 32.065 > 15 70 S 0.46078990065544 0.27582336686834 0.72091889693981 32.065 > 15 71 S 0.53921009934456 0.27582336686834 0.02908110306019 32.065 > 16 72 S 0.53921009934456 0.27582336686834 0.52908110306019 32.065 > 16 73 S 0.50000000000000 0.09282456528893 0.37500000000000 32.065 > 17 74 S 0.50000000000000 0.09282456528893 0.87500000000000 32.065 > 17 75 S 0.50000000000000 0.90717543471106 0.12500000000000 32.065 > 18 76 S 0.50000000000000 0.90717543471106 0.62500000000000 32.065 > 18 77 S 0.46078990065544 0.72417663313166 0.47091889693981 32.065 > 19 78 S 0.46078990065544 0.72417663313166 0.97091889693981 32.065 > 19 79 S 0.53921009934456 0.72417663313166 0.27908110306019 32.065 > 20 80 S 0.53921009934456 0.72417663313166 0.77908110306019 32.065 > 20 *81 Ga 0.07221314279436 0.69319653197186 0.30971842789928 69.723 > 21 82 Ga 0.07221314279436 0.69319653197186 0.80971842789928 69.723 > 21 83 Ga 0.92778685720564 0.69319653197186 0.44028157210072 69.723 > 22 84 Ga 0.92778685720564 0.69319653197186 0.94028157210072 69.723 > 22 85 Ga 0.92778685720564 0.30680346802814 0.19028157210072 69.723 > 23 86 Ga 0.92778685720564 0.30680346802814 0.69028157210072 69.723 > 23 87 Ga 0.07221314279436 0.30680346802814 0.05971842789928 69.723 > 24 88 Ga 0.07221314279436 0.30680346802814 0.55971842789928 69.723 > 24 *89 Ga 0.89744048683307 0.87694937376922 0.29183032406887 69.723 > 25 90 Ga 0.89744048683307 0.87694937376922 0.79183032406887 69.723 > 25 91 Ga 0.10255951316693 0.87694937376922 0.45816967593113 69.723 > 26 92 Ga 0.10255951316693 0.87694937376922 0.95816967593113 69.723 > 26 93 Ga 0.10255951316693 0.12305062623078 0.20816967593113 69.723 > 27 94 Ga 0.10255951316693 0.12305062623078 0.70816967593113 69.723 > 27 95 Ga 0.89744048683307 0.12305062623078 0.04183032406887 69.723 > 28 96 Ga 0.89744048683307 0.12305062623078 0.54183032406887 69.723 > 28 97 Ga 0.57221314279436 0.19319653197186 0.30971842789928 69.723 > 21 98 Ga 0.57221314279436 0.19319653197186 0.80971842789928 69.723 > 21 99 Ga 0.42778685720564 0.19319653197186 0.44028157210072 69.723 > 22 100 Ga 0.42778685720564 0.19319653197186 0.94028157210072 69.723 > 22 101 Ga 0.42778685720564 0.80680346802814 0.19028157210072 69.723 > 23 102 Ga 0.42778685720564 0.80680346802814 0.69028157210072 69.723 > 23 103 Ga 0.57221314279436 0.80680346802814 0.05971842789928 69.723 > 24 104 Ga 0.57221314279436 0.80680346802814 0.55971842789928 69.723 > 24 105 Ga 0.39744048683307 0.37694937376922 0.29183032406887 69.723 > 25 106 Ga 0.39744048683307 0.37694937376922 0.79183032406887 69.723 > 25 107 Ga 0.60255951316693 0.37694937376922 0.45816967593113 69.723 > 26 108 Ga 0.60255951316693 0.37694937376922 0.95816967593113 69.723 > 26 109 Ga 0.60255951316693 0.62305062623078 0.20816967593113 69.723 > 27 110 Ga 0.60255951316693 0.62305062623078 0.70816967593113 69.723 > 27 111 Ga 0.39744048683307 0.62305062623078 0.04183032406887 69.723 > 28 112 Ga 0.39744048683307 0.62305062623078 0.54183032406887 69.723 > 28 *113 Ba 0.35243461913664 0.63567358090231 0.30386847544311 137.327 > 29 114 Ba 0.35243461913664 0.63567358090231 0.80386847544311 137.327 > 29 115 Ba 0.64756538086336 0.63567358090231 0.44613152455689 137.327 > 30 116 Ba 0.64756538086336 0.63567358090231 0.94613152455689 137.327 > 30 117 Ba 0.64756538086336 0.36432641909769 0.19613152455689 137.327 > 31 118 Ba 0.64756538086336 0.36432641909769 0.69613152455689 137.327 > 31 119 Ba 0.35243461913664 0.36432641909769 0.05386847544311 137.327 > 32 120 Ba 0.35243461913664 0.36432641909769 0.55386847544311 137.327 > 32 *121 Ba 0.15281013210986 0.42049104643225 0.30188494642772 137.327 > 33 122 Ba 0.15281013210986 0.42049104643225 0.80188494642772 137.327 > 33 123 Ba 0.84718986789014 0.42049104643225 0.44811505357228 137.327 > 34 124 Ba 0.84718986789014 0.42049104643225 0.94811505357228 137.327 > 34 125 Ba 0.84718986789014 0.57950895356775 0.19811505357228 137.327 > 35 126 Ba 0.84718986789014 0.57950895356775 0.69811505357228 137.327 > 35 127 Ba 0.15281013210986 0.57950895356775 0.05188494642772 137.327 > 36 128 Ba 0.15281013210986 0.57950895356775 0.55188494642772 137.327 > 36 129 Ba 0.85243461913664 0.13567358090231 0.30386847544311 137.327 > 29 130 Ba 0.85243461913664 0.13567358090231 0.80386847544311 137.327 > 29 131 Ba 0.14756538086336 0.13567358090231 0.44613152455689 137.327 > 30 132 Ba 0.14756538086336 0.13567358090231 0.94613152455689 137.327 > 30 133 Ba 0.14756538086336 0.86432641909769 0.19613152455689 137.327 > 31 134 Ba 0.14756538086336 0.86432641909769 0.69613152455689 137.327 > 31 135 Ba 0.85243461913664 0.86432641909769 0.05386847544311 137.327 > 32 136 Ba 0.85243461913664 0.86432641909769 0.55386847544311 137.327 > 32 137 Ba 0.65281013210986 0.92049104643225 0.30188494642772 137.327 > 33 138 Ba 0.65281013210986 0.92049104643225 0.80188494642772 137.327 > 33 139 Ba 0.34718986789014 0.92049104643225 0.44811505357228 137.327 > 34 140 Ba 0.34718986789014 0.92049104643225 0.94811505357228 137.327 > 34 141 Ba 0.34718986789014 0.07950895356775 0.19811505357228 137.327 > 35 142 Ba 0.34718986789014 0.07950895356775 0.69811505357228 137.327 > 35 143 Ba 0.65281013210986 0.07950895356775 0.05188494642772 137.327 > 36 144 Ba 0.65281013210986 0.07950895356775 0.55188494642772 137.327 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4644268 0.0000000 -0.0715810 0.0000000 5.4085507 0.0000000 -0.0715724 0.0000000 5.3179427 -------------------------- Born effective charges -------------------------- 1 S -1.8537217 0.0000000 -0.8693874 0.0000000 -2.1700229 0.0000000 -0.6626294 0.0000000 -1.7353603 2 S -1.8537217 0.0000000 -0.8693874 0.0000000 -2.1700229 0.0000000 -0.6626294 0.0000000 -1.7353603 3 S -2.0853064 -0.1323809 0.1295607 -0.2025905 -1.9056868 -0.5937860 0.0320686 -0.5222974 -1.8521618 4 S -2.0853064 0.1323809 0.1295607 0.2025905 -1.9056868 0.5937860 0.0320686 0.5222974 -1.8521618 5 S -2.0853064 -0.1323809 0.1295607 -0.2025905 -1.9056868 -0.5937860 0.0320686 -0.5222974 -1.8521618 6 S -2.0853064 0.1323809 0.1295607 0.2025905 -1.9056868 0.5937860 0.0320686 0.5222974 -1.8521618 7 S -2.3873444 0.4095240 0.6654158 0.4977911 -2.3027648 -0.4398390 0.4430837 -0.0875746 -2.0994200 8 S -2.3873444 -0.4095240 0.6654158 -0.4977911 -2.3027648 0.4398390 0.4430837 0.0875746 -2.0994200 9 S -2.3873444 0.4095240 0.6654158 0.4977911 -2.3027648 -0.4398390 0.4430837 -0.0875746 -2.0994200 10 S -2.3873444 -0.4095240 0.6654158 -0.4977911 -2.3027648 0.4398390 0.4430837 0.0875746 -2.0994200 11 S -2.1477647 -0.4543190 -0.3116539 -0.4560981 -2.1333130 -0.4432599 -0.1332040 -0.2272538 -2.4323934 12 S -2.1477647 0.4543190 -0.3116539 0.4560981 -2.1333130 0.4432599 -0.1332040 0.2272538 -2.4323934 13 S -2.1477647 -0.4543190 -0.3116539 -0.4560981 -2.1333130 -0.4432599 -0.1332040 -0.2272538 -2.4323934 14 S -2.1477647 0.4543190 -0.3116539 0.4560981 -2.1333130 0.4432599 -0.1332040 0.2272538 -2.4323934 15 S -2.0631566 0.4851261 -0.1855181 0.4134414 -2.0593552 0.2726670 -0.0925230 0.1302469 -1.8781768 16 S -2.0631566 -0.4851261 -0.1855181 -0.4134414 -2.0593552 -0.2726670 -0.0925230 -0.1302469 -1.8781768 17 S -2.1617830 0.0000000 0.4234135 0.0000000 -1.8348998 0.0000000 0.3357316 0.0000000 -2.0744731 18 S -2.1617830 0.0000000 0.4234135 0.0000000 -1.8348998 0.0000000 0.3357316 0.0000000 -2.0744731 19 S -2.0631566 -0.4851261 -0.1855181 -0.4134414 -2.0593552 -0.2726670 -0.0925230 -0.1302469 -1.8781768 20 S -2.0631566 0.4851261 -0.1855181 0.4134414 -2.0593552 0.2726670 -0.0925230 0.1302469 -1.8781768 21 Ga 2.7647875 -0.0973731 -0.2150015 -0.1610695 2.3525765 0.1591995 -0.0314711 -0.1113649 2.1591368 22 Ga 2.7647875 0.0973731 -0.2150015 0.1610695 2.3525765 -0.1591995 -0.0314711 0.1113649 2.1591368 23 Ga 2.7647875 -0.0973731 -0.2150015 -0.1610695 2.3525765 0.1591995 -0.0314711 -0.1113649 2.1591368 24 Ga 2.7647875 0.0973731 -0.2150015 0.1610695 2.3525765 -0.1591995 -0.0314711 0.1113649 2.1591368 25 Ga 2.4213196 -0.0235847 0.2246265 -0.0019202 2.3937567 -0.1314587 0.0029830 -0.0116685 2.2735279 26 Ga 2.4213196 0.0235847 0.2246265 0.0019202 2.3937567 0.1314587 0.0029830 0.0116685 2.2735279 27 Ga 2.4213196 -0.0235847 0.2246265 -0.0019202 2.3937567 -0.1314587 0.0029830 -0.0116685 2.2735279 28 Ga 2.4213196 0.0235847 0.2246265 0.0019202 2.3937567 0.1314587 0.0029830 0.0116685 2.2735279 29 Ba 2.6979644 0.1129231 -0.0409564 -0.0663981 2.6618926 0.0189264 -0.2989705 -0.3097159 2.7953112 30 Ba 2.6979644 -0.1129231 -0.0409564 0.0663981 2.6618926 -0.0189264 -0.2989705 0.3097159 2.7953112 31 Ba 2.6979644 0.1129231 -0.0409564 -0.0663981 2.6618926 0.0189264 -0.2989705 -0.3097159 2.7953112 32 Ba 2.6979644 -0.1129231 -0.0409564 0.0663981 2.6618926 -0.0189264 -0.2989705 0.3097159 2.7953112 33 Ba 2.8072529 0.1426592 -0.0434860 0.2693703 2.9953554 0.0607039 0.2414821 0.2452975 2.9390927 34 Ba 2.8072529 -0.1426592 -0.0434860 -0.2693703 2.9953554 -0.0607039 0.2414821 -0.2452975 2.9390927 35 Ba 2.8072529 0.1426592 -0.0434860 0.2693703 2.9953554 0.0607039 0.2414821 0.2452975 2.9390927 36 Ba 2.8072529 -0.1426592 -0.0434860 -0.2693703 2.9953554 -0.0607039 0.2414821 -0.2452975 2.9390927 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 28188/28188 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1304 / 1304 (1) 295 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 278 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 278 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 197 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 197 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 197 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5998, 5917), data: False |-- (706, 696), data: False |-- (706, 9), data: (706, 19) @ (19, 9) |-- (206, 197), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 9), data: (706, 19) @ (19, 9) |-- (206, 197), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 9), data: (706, 19) @ (19, 9) |-- (206, 197), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 24), data: (1288, 40) @ (40, 24) |-- (288, 278), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 24), data: (1288, 40) @ (40, 24) |-- (288, 278), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 24), data: (1304, 43) @ (43, 24) |-- (304, 295), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.821 Solver_block: 200 / 1120 - Time: 1.622 Solver_block: 300 / 1120 - Time: 1.622 Solver_block: 400 / 1120 - Time: 1.617 Solver_block: 500 / 1120 - Time: 1.619 Solver_block: 600 / 1120 - Time: 1.622 Solver_block: 700 / 1120 - Time: 1.613 Solver_block: 800 / 1120 - Time: 1.621 Solver_block: 900 / 1120 - Time: 1.622 Solver_block: 1000 / 1120 - Time: 1.615 Solver_block: 1100 / 1120 - Time: 1.618 Solver_block: 1120 / 1120 - Time: 0.510 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.016 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 28188/28188 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1304 / 1304 (1) 295 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 278 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 278 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 197 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 197 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 197 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5998, 5917), data: False |-- (706, 696), data: False |-- (706, 9), data: (706, 19) @ (19, 9) |-- (206, 197), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 9), data: (706, 19) @ (19, 9) |-- (206, 197), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 9), data: (706, 19) @ (19, 9) |-- (206, 197), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 24), data: (1288, 40) @ (40, 24) |-- (288, 278), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 24), data: (1288, 40) @ (40, 24) |-- (288, 278), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 24), data: (1304, 43) @ (43, 24) |-- (304, 295), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 04:30:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:30:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.741839265722181 -7.276266960000000 0.000000000000000 b 7.741839265722181 7.276266960000000 0.000000000000000 c -2.318933526348420 0.000000000000000 8.170780714840838 Atomic positions (fractional): 1 S 0.97181226921229 0.02818773078771 0.25000000000000 32.065 2 S 0.02818773078771 0.97181226921229 0.75000000000000 32.065 3 S 0.39030049618270 0.96464041737873 0.77472813409296 32.065 4 S 0.03535958262127 0.60969950381730 0.72527186590704 32.065 5 S 0.60969950381730 0.03535958262127 0.22527186590704 32.065 6 S 0.96464041737872 0.39030049618270 0.27472813409296 32.065 7 S 0.51910644170723 0.76482553237573 0.45841691810729 32.065 8 S 0.23517446762427 0.48089355829277 0.04158308189271 32.065 9 S 0.48089355829277 0.23517446762427 0.54158308189271 32.065 10 S 0.76482553237573 0.51910644170723 0.95841691810729 32.065 11 S 0.25110801950764 0.16531612693232 0.09774800546360 32.065 12 S 0.83468387306768 0.74889198049236 0.40225199453640 32.065 13 S 0.74889198049236 0.83468387306768 0.90225199453640 32.065 14 S 0.16531612693232 0.25110801950764 0.59774800546360 32.065 15 S 0.18496653378710 0.73661326752377 0.44183779387963 32.065 16 S 0.26338673247623 0.81503346621290 0.05816220612037 32.065 17 S 0.40717543471106 0.59282456528894 0.75000000000000 32.065 18 S 0.59282456528894 0.40717543471106 0.25000000000000 32.065 19 S 0.73661326752377 0.18496653378710 0.94183779387963 32.065 20 S 0.81503346621290 0.26338673247623 0.55816220612037 32.065 21 Ga 0.37901661082250 0.76540967476621 0.61943685579855 69.723 22 Ga 0.23459032523379 0.62098338917750 0.88056314420145 69.723 23 Ga 0.62098338917750 0.23459032523379 0.38056314420145 69.723 24 Ga 0.76540967476621 0.37901661082250 0.11943685579855 69.723 25 Ga 0.02049111306385 0.77438986060229 0.58366064813775 69.723 26 Ga 0.22561013939771 0.97950888693615 0.91633935186225 69.723 27 Ga 0.97950888693615 0.22561013939771 0.41633935186225 69.723 28 Ga 0.77438986060229 0.02049111306385 0.08366064813775 69.723 29 Ba 0.71676103823433 0.98810820003894 0.60773695088621 137.327 30 Ba 0.01189179996106 0.28323896176567 0.89226304911379 137.327 31 Ba 0.28323896176567 0.01189179996106 0.39226304911379 137.327 32 Ba 0.98810820003894 0.71676103823433 0.10773695088621 137.327 33 Ba 0.73231908567760 0.57330117854211 0.60376989285544 137.327 34 Ba 0.42669882145789 0.26768091432240 0.89623010714456 137.327 35 Ba 0.26768091432240 0.42669882145789 0.39623010714456 137.327 36 Ba 0.57330117854211 0.73231908567760 0.10376989285544 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.483678531444362 0.000000000000000 0.000000000000000 b 0.000000000000000 14.552533920000000 0.000000000000000 c -4.637867052696840 0.000000000000000 16.341561429681676 Atomic positions (fractional): 1 S 0.00000000000000 0.02818773078771 0.12500000000000 32.065 > 1 2 S 0.00000000000000 0.02818773078771 0.62500000000000 32.065 > 1 3 S 0.00000000000000 0.97181226921229 0.37500000000000 32.065 > 3 4 S 0.00000000000000 0.97181226921229 0.87500000000000 32.065 > 3 5 S 0.17747045678071 0.78716996059801 0.38736406704648 32.065 > 5 6 S 0.17747045678071 0.78716996059801 0.88736406704648 32.065 > 5 7 S 0.82252954321929 0.78716996059801 0.36263593295352 32.065 > 7 8 S 0.82252954321929 0.78716996059801 0.86263593295352 32.065 > 7 9 S 0.82252954321929 0.21283003940199 0.11263593295352 32.065 > 9 10 S 0.82252954321929 0.21283003940199 0.61263593295352 32.065 > 9 11 S 0.17747045678071 0.21283003940199 0.13736406704648 32.065 > 11 12 S 0.17747045678071 0.21283003940199 0.63736406704648 32.065 > 11 13 S 0.14196598704148 0.62285954533425 0.22920845905365 32.065 > 13 14 S 0.14196598704148 0.62285954533425 0.72920845905364 32.065 > 13 15 S 0.85803401295852 0.62285954533425 0.02079154094635 32.065 > 15 16 S 0.85803401295852 0.62285954533425 0.52079154094636 32.065 > 15 17 S 0.85803401295852 0.37714045466575 0.27079154094636 32.065 > 17 18 S 0.85803401295852 0.37714045466575 0.77079154094636 32.065 > 17 19 S 0.14196598704148 0.37714045466575 0.47920845905364 32.065 > 19 20 S 0.14196598704148 0.37714045466575 0.97920845905364 32.065 > 19 21 S 0.70821207321998 0.45710405371234 0.04887400273180 32.065 > 21 22 S 0.70821207321998 0.45710405371234 0.54887400273180 32.065 > 21 23 S 0.29178792678002 0.45710405371234 0.20112599726820 32.065 > 23 24 S 0.29178792678002 0.45710405371234 0.70112599726820 32.065 > 23 25 S 0.29178792678002 0.54289594628766 0.45112599726820 32.065 > 25 26 S 0.29178792678002 0.54289594628766 0.95112599726820 32.065 > 25 27 S 0.70821207321998 0.54289594628766 0.29887400273180 32.065 > 27 28 S 0.70821207321998 0.54289594628766 0.79887400273180 32.065 > 27 29 S 0.96078990065544 0.77582336686834 0.22091889693981 32.065 > 29 30 S 0.96078990065544 0.77582336686834 0.72091889693981 32.065 > 29 31 S 0.03921009934456 0.77582336686834 0.02908110306019 32.065 > 31 32 S 0.03921009934456 0.77582336686834 0.52908110306019 32.065 > 31 33 S 0.00000000000000 0.59282456528894 0.37500000000000 32.065 > 33 34 S 0.00000000000000 0.59282456528894 0.87500000000000 32.065 > 33 35 S 0.00000000000000 0.40717543471106 0.12500000000000 32.065 > 35 36 S 0.00000000000000 0.40717543471106 0.62500000000000 32.065 > 35 37 S 0.96078990065544 0.22417663313166 0.47091889693981 32.065 > 37 38 S 0.96078990065544 0.22417663313166 0.97091889693981 32.065 > 37 39 S 0.03921009934456 0.22417663313166 0.27908110306019 32.065 > 39 40 S 0.03921009934456 0.22417663313166 0.77908110306019 32.065 > 39 41 S 0.50000000000000 0.52818773078771 0.12500000000000 32.065 > 1 42 S 0.50000000000000 0.52818773078771 0.62500000000000 32.065 > 1 43 S 0.50000000000000 0.47181226921229 0.37500000000000 32.065 > 3 44 S 0.50000000000000 0.47181226921229 0.87500000000000 32.065 > 3 45 S 0.67747045678071 0.28716996059801 0.38736406704648 32.065 > 5 46 S 0.67747045678071 0.28716996059801 0.88736406704648 32.065 > 5 47 S 0.32252954321929 0.28716996059801 0.36263593295352 32.065 > 7 48 S 0.32252954321929 0.28716996059801 0.86263593295352 32.065 > 7 49 S 0.32252954321929 0.71283003940199 0.11263593295352 32.065 > 9 50 S 0.32252954321929 0.71283003940199 0.61263593295352 32.065 > 9 51 S 0.67747045678071 0.71283003940199 0.13736406704648 32.065 > 11 52 S 0.67747045678071 0.71283003940199 0.63736406704648 32.065 > 11 53 S 0.64196598704148 0.12285954533425 0.22920845905365 32.065 > 13 54 S 0.64196598704148 0.12285954533425 0.72920845905364 32.065 > 13 55 S 0.35803401295852 0.12285954533425 0.02079154094635 32.065 > 15 56 S 0.35803401295852 0.12285954533425 0.52079154094636 32.065 > 15 57 S 0.35803401295852 0.87714045466575 0.27079154094636 32.065 > 17 58 S 0.35803401295852 0.87714045466575 0.77079154094636 32.065 > 17 59 S 0.64196598704148 0.87714045466575 0.47920845905364 32.065 > 19 60 S 0.64196598704148 0.87714045466575 0.97920845905364 32.065 > 19 61 S 0.20821207321998 0.95710405371234 0.04887400273180 32.065 > 21 62 S 0.20821207321998 0.95710405371234 0.54887400273180 32.065 > 21 63 S 0.79178792678002 0.95710405371234 0.20112599726820 32.065 > 23 64 S 0.79178792678002 0.95710405371234 0.70112599726820 32.065 > 23 65 S 0.79178792678002 0.04289594628766 0.45112599726820 32.065 > 25 66 S 0.79178792678002 0.04289594628766 0.95112599726820 32.065 > 25 67 S 0.20821207321998 0.04289594628766 0.29887400273180 32.065 > 27 68 S 0.20821207321998 0.04289594628766 0.79887400273180 32.065 > 27 69 S 0.46078990065544 0.27582336686834 0.22091889693981 32.065 > 29 70 S 0.46078990065544 0.27582336686834 0.72091889693981 32.065 > 29 71 S 0.53921009934456 0.27582336686834 0.02908110306019 32.065 > 31 72 S 0.53921009934456 0.27582336686834 0.52908110306019 32.065 > 31 73 S 0.50000000000000 0.09282456528893 0.37500000000000 32.065 > 33 74 S 0.50000000000000 0.09282456528893 0.87500000000000 32.065 > 33 75 S 0.50000000000000 0.90717543471106 0.12500000000000 32.065 > 35 76 S 0.50000000000000 0.90717543471106 0.62500000000000 32.065 > 35 77 S 0.46078990065544 0.72417663313166 0.47091889693981 32.065 > 37 78 S 0.46078990065544 0.72417663313166 0.97091889693981 32.065 > 37 79 S 0.53921009934456 0.72417663313166 0.27908110306019 32.065 > 39 80 S 0.53921009934456 0.72417663313166 0.77908110306019 32.065 > 39 81 Ga 0.07221314279436 0.69319653197186 0.30971842789928 69.723 > 81 82 Ga 0.07221314279436 0.69319653197186 0.80971842789928 69.723 > 81 83 Ga 0.92778685720564 0.69319653197186 0.44028157210072 69.723 > 83 84 Ga 0.92778685720564 0.69319653197186 0.94028157210072 69.723 > 83 85 Ga 0.92778685720564 0.30680346802814 0.19028157210072 69.723 > 85 86 Ga 0.92778685720564 0.30680346802814 0.69028157210072 69.723 > 85 87 Ga 0.07221314279436 0.30680346802814 0.05971842789928 69.723 > 87 88 Ga 0.07221314279436 0.30680346802814 0.55971842789928 69.723 > 87 89 Ga 0.89744048683307 0.87694937376922 0.29183032406887 69.723 > 89 90 Ga 0.89744048683307 0.87694937376922 0.79183032406887 69.723 > 89 91 Ga 0.10255951316693 0.87694937376922 0.45816967593113 69.723 > 91 92 Ga 0.10255951316693 0.87694937376922 0.95816967593113 69.723 > 91 93 Ga 0.10255951316693 0.12305062623078 0.20816967593113 69.723 > 93 94 Ga 0.10255951316693 0.12305062623078 0.70816967593113 69.723 > 93 95 Ga 0.89744048683307 0.12305062623078 0.04183032406887 69.723 > 95 96 Ga 0.89744048683307 0.12305062623078 0.54183032406887 69.723 > 95 97 Ga 0.57221314279436 0.19319653197186 0.30971842789928 69.723 > 81 98 Ga 0.57221314279436 0.19319653197186 0.80971842789928 69.723 > 81 99 Ga 0.42778685720564 0.19319653197186 0.44028157210072 69.723 > 83 100 Ga 0.42778685720564 0.19319653197186 0.94028157210072 69.723 > 83 101 Ga 0.42778685720564 0.80680346802814 0.19028157210072 69.723 > 85 102 Ga 0.42778685720564 0.80680346802814 0.69028157210072 69.723 > 85 103 Ga 0.57221314279436 0.80680346802814 0.05971842789928 69.723 > 87 104 Ga 0.57221314279436 0.80680346802814 0.55971842789928 69.723 > 87 105 Ga 0.39744048683307 0.37694937376922 0.29183032406887 69.723 > 89 106 Ga 0.39744048683307 0.37694937376922 0.79183032406887 69.723 > 89 107 Ga 0.60255951316693 0.37694937376922 0.45816967593113 69.723 > 91 108 Ga 0.60255951316693 0.37694937376922 0.95816967593113 69.723 > 91 109 Ga 0.60255951316693 0.62305062623078 0.20816967593113 69.723 > 93 110 Ga 0.60255951316693 0.62305062623078 0.70816967593113 69.723 > 93 111 Ga 0.39744048683307 0.62305062623078 0.04183032406887 69.723 > 95 112 Ga 0.39744048683307 0.62305062623078 0.54183032406887 69.723 > 95 113 Ba 0.35243461913664 0.63567358090231 0.30386847544311 137.327 > 113 114 Ba 0.35243461913664 0.63567358090231 0.80386847544311 137.327 > 113 115 Ba 0.64756538086336 0.63567358090231 0.44613152455689 137.327 > 115 116 Ba 0.64756538086336 0.63567358090231 0.94613152455689 137.327 > 115 117 Ba 0.64756538086336 0.36432641909769 0.19613152455689 137.327 > 117 118 Ba 0.64756538086336 0.36432641909769 0.69613152455689 137.327 > 117 119 Ba 0.35243461913664 0.36432641909769 0.05386847544311 137.327 > 119 120 Ba 0.35243461913664 0.36432641909769 0.55386847544311 137.327 > 119 121 Ba 0.15281013210986 0.42049104643225 0.30188494642772 137.327 > 121 122 Ba 0.15281013210986 0.42049104643225 0.80188494642772 137.327 > 121 123 Ba 0.84718986789014 0.42049104643225 0.44811505357228 137.327 > 123 124 Ba 0.84718986789014 0.42049104643225 0.94811505357228 137.327 > 123 125 Ba 0.84718986789014 0.57950895356775 0.19811505357228 137.327 > 125 126 Ba 0.84718986789014 0.57950895356775 0.69811505357228 137.327 > 125 127 Ba 0.15281013210986 0.57950895356775 0.05188494642772 137.327 > 127 128 Ba 0.15281013210986 0.57950895356775 0.55188494642772 137.327 > 127 129 Ba 0.85243461913664 0.13567358090231 0.30386847544311 137.327 > 113 130 Ba 0.85243461913664 0.13567358090231 0.80386847544311 137.327 > 113 131 Ba 0.14756538086336 0.13567358090231 0.44613152455689 137.327 > 115 132 Ba 0.14756538086336 0.13567358090231 0.94613152455689 137.327 > 115 133 Ba 0.14756538086336 0.86432641909769 0.19613152455689 137.327 > 117 134 Ba 0.14756538086336 0.86432641909769 0.69613152455689 137.327 > 117 135 Ba 0.85243461913664 0.86432641909769 0.05386847544311 137.327 > 119 136 Ba 0.85243461913664 0.86432641909769 0.55386847544311 137.327 > 119 137 Ba 0.65281013210986 0.92049104643225 0.30188494642772 137.327 > 121 138 Ba 0.65281013210986 0.92049104643225 0.80188494642772 137.327 > 121 139 Ba 0.34718986789014 0.92049104643225 0.44811505357228 137.327 > 123 140 Ba 0.34718986789014 0.92049104643225 0.94811505357228 137.327 > 123 141 Ba 0.34718986789014 0.07950895356775 0.19811505357228 137.327 > 125 142 Ba 0.34718986789014 0.07950895356775 0.69811505357228 137.327 > 125 143 Ba 0.65281013210986 0.07950895356775 0.05188494642772 137.327 > 127 144 Ba 0.65281013210986 0.07950895356775 0.55188494642772 137.327 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4644268 0.0000000 -0.0715810 0.0000000 5.4085507 0.0000000 -0.0715724 0.0000000 5.3179427 -------------------------- Born effective charges -------------------------- 1 S -1.8537217 0.0000000 -0.8693874 0.0000000 -2.1700229 0.0000000 -0.6626294 0.0000000 -1.7353603 2 S -1.8537217 0.0000000 -0.8693874 0.0000000 -2.1700229 0.0000000 -0.6626294 0.0000000 -1.7353603 3 S -2.0853064 -0.1323809 0.1295607 -0.2025905 -1.9056868 -0.5937860 0.0320686 -0.5222974 -1.8521618 4 S -2.0853064 0.1323809 0.1295607 0.2025905 -1.9056868 0.5937860 0.0320686 0.5222974 -1.8521618 5 S -2.0853064 -0.1323809 0.1295607 -0.2025905 -1.9056868 -0.5937860 0.0320686 -0.5222974 -1.8521618 6 S -2.0853064 0.1323809 0.1295607 0.2025905 -1.9056868 0.5937860 0.0320686 0.5222974 -1.8521618 7 S -2.3873444 0.4095240 0.6654158 0.4977911 -2.3027648 -0.4398390 0.4430837 -0.0875746 -2.0994200 8 S -2.3873444 -0.4095240 0.6654158 -0.4977911 -2.3027648 0.4398390 0.4430837 0.0875746 -2.0994200 9 S -2.3873444 0.4095240 0.6654158 0.4977911 -2.3027648 -0.4398390 0.4430837 -0.0875746 -2.0994200 10 S -2.3873444 -0.4095240 0.6654158 -0.4977911 -2.3027648 0.4398390 0.4430837 0.0875746 -2.0994200 11 S -2.1477647 -0.4543190 -0.3116539 -0.4560981 -2.1333130 -0.4432599 -0.1332040 -0.2272538 -2.4323934 12 S -2.1477647 0.4543190 -0.3116539 0.4560981 -2.1333130 0.4432599 -0.1332040 0.2272538 -2.4323934 13 S -2.1477647 -0.4543190 -0.3116539 -0.4560981 -2.1333130 -0.4432599 -0.1332040 -0.2272538 -2.4323934 14 S -2.1477647 0.4543190 -0.3116539 0.4560981 -2.1333130 0.4432599 -0.1332040 0.2272538 -2.4323934 15 S -2.0631566 0.4851261 -0.1855181 0.4134414 -2.0593552 0.2726670 -0.0925230 0.1302469 -1.8781768 16 S -2.0631566 -0.4851261 -0.1855181 -0.4134414 -2.0593552 -0.2726670 -0.0925230 -0.1302469 -1.8781768 17 S -2.1617830 0.0000000 0.4234135 0.0000000 -1.8348998 0.0000000 0.3357316 0.0000000 -2.0744731 18 S -2.1617830 0.0000000 0.4234135 0.0000000 -1.8348998 0.0000000 0.3357316 0.0000000 -2.0744731 19 S -2.0631566 -0.4851261 -0.1855181 -0.4134414 -2.0593552 -0.2726670 -0.0925230 -0.1302469 -1.8781768 20 S -2.0631566 0.4851261 -0.1855181 0.4134414 -2.0593552 0.2726670 -0.0925230 0.1302469 -1.8781768 21 Ga 2.7647875 -0.0973731 -0.2150015 -0.1610695 2.3525765 0.1591995 -0.0314711 -0.1113649 2.1591368 22 Ga 2.7647875 0.0973731 -0.2150015 0.1610695 2.3525765 -0.1591995 -0.0314711 0.1113649 2.1591368 23 Ga 2.7647875 -0.0973731 -0.2150015 -0.1610695 2.3525765 0.1591995 -0.0314711 -0.1113649 2.1591368 24 Ga 2.7647875 0.0973731 -0.2150015 0.1610695 2.3525765 -0.1591995 -0.0314711 0.1113649 2.1591368 25 Ga 2.4213196 -0.0235847 0.2246265 -0.0019202 2.3937567 -0.1314587 0.0029830 -0.0116685 2.2735279 26 Ga 2.4213196 0.0235847 0.2246265 0.0019202 2.3937567 0.1314587 0.0029830 0.0116685 2.2735279 27 Ga 2.4213196 -0.0235847 0.2246265 -0.0019202 2.3937567 -0.1314587 0.0029830 -0.0116685 2.2735279 28 Ga 2.4213196 0.0235847 0.2246265 0.0019202 2.3937567 0.1314587 0.0029830 0.0116685 2.2735279 29 Ba 2.6979644 0.1129231 -0.0409564 -0.0663981 2.6618926 0.0189264 -0.2989705 -0.3097159 2.7953112 30 Ba 2.6979644 -0.1129231 -0.0409564 0.0663981 2.6618926 -0.0189264 -0.2989705 0.3097159 2.7953112 31 Ba 2.6979644 0.1129231 -0.0409564 -0.0663981 2.6618926 0.0189264 -0.2989705 -0.3097159 2.7953112 32 Ba 2.6979644 -0.1129231 -0.0409564 0.0663981 2.6618926 -0.0189264 -0.2989705 0.3097159 2.7953112 33 Ba 2.8072529 0.1426592 -0.0434860 0.2693703 2.9953554 0.0607039 0.2414821 0.2452975 2.9390927 34 Ba 2.8072529 -0.1426592 -0.0434860 -0.2693703 2.9953554 -0.0607039 0.2414821 -0.2452975 2.9390927 35 Ba 2.8072529 0.1426592 -0.0434860 0.2693703 2.9953554 0.0607039 0.2414821 0.2452975 2.9390927 36 Ba 2.8072529 -0.1426592 -0.0434860 -0.2693703 2.9953554 -0.0607039 0.2414821 -0.2452975 2.9390927 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 04:31:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:31:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.741839265722181 -7.276266960000000 0.000000000000000 b 7.741839265722181 7.276266960000000 0.000000000000000 c -2.318933526348420 0.000000000000000 8.170780714840838 Atomic positions (fractional): 1 S 0.97181226921229 0.02818773078771 0.25000000000000 32.065 2 S 0.02818773078771 0.97181226921229 0.75000000000000 32.065 3 S 0.39030049618270 0.96464041737873 0.77472813409296 32.065 4 S 0.03535958262127 0.60969950381730 0.72527186590704 32.065 5 S 0.60969950381730 0.03535958262127 0.22527186590704 32.065 6 S 0.96464041737872 0.39030049618270 0.27472813409296 32.065 7 S 0.51910644170723 0.76482553237573 0.45841691810729 32.065 8 S 0.23517446762427 0.48089355829277 0.04158308189271 32.065 9 S 0.48089355829277 0.23517446762427 0.54158308189271 32.065 10 S 0.76482553237573 0.51910644170723 0.95841691810729 32.065 11 S 0.25110801950764 0.16531612693232 0.09774800546360 32.065 12 S 0.83468387306768 0.74889198049236 0.40225199453640 32.065 13 S 0.74889198049236 0.83468387306768 0.90225199453640 32.065 14 S 0.16531612693232 0.25110801950764 0.59774800546360 32.065 15 S 0.18496653378710 0.73661326752377 0.44183779387963 32.065 16 S 0.26338673247623 0.81503346621290 0.05816220612037 32.065 17 S 0.40717543471106 0.59282456528894 0.75000000000000 32.065 18 S 0.59282456528894 0.40717543471106 0.25000000000000 32.065 19 S 0.73661326752377 0.18496653378710 0.94183779387963 32.065 20 S 0.81503346621290 0.26338673247623 0.55816220612037 32.065 21 Ga 0.37901661082250 0.76540967476621 0.61943685579855 69.723 22 Ga 0.23459032523379 0.62098338917750 0.88056314420145 69.723 23 Ga 0.62098338917750 0.23459032523379 0.38056314420145 69.723 24 Ga 0.76540967476621 0.37901661082250 0.11943685579855 69.723 25 Ga 0.02049111306385 0.77438986060229 0.58366064813775 69.723 26 Ga 0.22561013939771 0.97950888693615 0.91633935186225 69.723 27 Ga 0.97950888693615 0.22561013939771 0.41633935186225 69.723 28 Ga 0.77438986060229 0.02049111306385 0.08366064813775 69.723 29 Ba 0.71676103823433 0.98810820003894 0.60773695088621 137.327 30 Ba 0.01189179996106 0.28323896176567 0.89226304911379 137.327 31 Ba 0.28323896176567 0.01189179996106 0.39226304911379 137.327 32 Ba 0.98810820003894 0.71676103823433 0.10773695088621 137.327 33 Ba 0.73231908567760 0.57330117854211 0.60376989285544 137.327 34 Ba 0.42669882145789 0.26768091432240 0.89623010714456 137.327 35 Ba 0.26768091432240 0.42669882145789 0.39623010714456 137.327 36 Ba 0.57330117854211 0.73231908567760 0.10376989285544 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.483678531444362 0.000000000000000 0.000000000000000 b 0.000000000000000 14.552533920000000 0.000000000000000 c -4.637867052696840 0.000000000000000 16.341561429681676 Atomic positions (fractional): 1 S 0.00000000000000 0.02818773078771 0.12500000000000 32.065 > 1 2 S 0.00000000000000 0.02818773078771 0.62500000000000 32.065 > 1 3 S 0.00000000000000 0.97181226921229 0.37500000000000 32.065 > 3 4 S 0.00000000000000 0.97181226921229 0.87500000000000 32.065 > 3 5 S 0.17747045678071 0.78716996059801 0.38736406704648 32.065 > 5 6 S 0.17747045678071 0.78716996059801 0.88736406704648 32.065 > 5 7 S 0.82252954321929 0.78716996059801 0.36263593295352 32.065 > 7 8 S 0.82252954321929 0.78716996059801 0.86263593295352 32.065 > 7 9 S 0.82252954321929 0.21283003940199 0.11263593295352 32.065 > 9 10 S 0.82252954321929 0.21283003940199 0.61263593295352 32.065 > 9 11 S 0.17747045678071 0.21283003940199 0.13736406704648 32.065 > 11 12 S 0.17747045678071 0.21283003940199 0.63736406704648 32.065 > 11 13 S 0.14196598704148 0.62285954533425 0.22920845905365 32.065 > 13 14 S 0.14196598704148 0.62285954533425 0.72920845905364 32.065 > 13 15 S 0.85803401295852 0.62285954533425 0.02079154094635 32.065 > 15 16 S 0.85803401295852 0.62285954533425 0.52079154094636 32.065 > 15 17 S 0.85803401295852 0.37714045466575 0.27079154094636 32.065 > 17 18 S 0.85803401295852 0.37714045466575 0.77079154094636 32.065 > 17 19 S 0.14196598704148 0.37714045466575 0.47920845905364 32.065 > 19 20 S 0.14196598704148 0.37714045466575 0.97920845905364 32.065 > 19 21 S 0.70821207321998 0.45710405371234 0.04887400273180 32.065 > 21 22 S 0.70821207321998 0.45710405371234 0.54887400273180 32.065 > 21 23 S 0.29178792678002 0.45710405371234 0.20112599726820 32.065 > 23 24 S 0.29178792678002 0.45710405371234 0.70112599726820 32.065 > 23 25 S 0.29178792678002 0.54289594628766 0.45112599726820 32.065 > 25 26 S 0.29178792678002 0.54289594628766 0.95112599726820 32.065 > 25 27 S 0.70821207321998 0.54289594628766 0.29887400273180 32.065 > 27 28 S 0.70821207321998 0.54289594628766 0.79887400273180 32.065 > 27 29 S 0.96078990065544 0.77582336686834 0.22091889693981 32.065 > 29 30 S 0.96078990065544 0.77582336686834 0.72091889693981 32.065 > 29 31 S 0.03921009934456 0.77582336686834 0.02908110306019 32.065 > 31 32 S 0.03921009934456 0.77582336686834 0.52908110306019 32.065 > 31 33 S 0.00000000000000 0.59282456528894 0.37500000000000 32.065 > 33 34 S 0.00000000000000 0.59282456528894 0.87500000000000 32.065 > 33 35 S 0.00000000000000 0.40717543471106 0.12500000000000 32.065 > 35 36 S 0.00000000000000 0.40717543471106 0.62500000000000 32.065 > 35 37 S 0.96078990065544 0.22417663313166 0.47091889693981 32.065 > 37 38 S 0.96078990065544 0.22417663313166 0.97091889693981 32.065 > 37 39 S 0.03921009934456 0.22417663313166 0.27908110306019 32.065 > 39 40 S 0.03921009934456 0.22417663313166 0.77908110306019 32.065 > 39 41 S 0.50000000000000 0.52818773078771 0.12500000000000 32.065 > 1 42 S 0.50000000000000 0.52818773078771 0.62500000000000 32.065 > 1 43 S 0.50000000000000 0.47181226921229 0.37500000000000 32.065 > 3 44 S 0.50000000000000 0.47181226921229 0.87500000000000 32.065 > 3 45 S 0.67747045678071 0.28716996059801 0.38736406704648 32.065 > 5 46 S 0.67747045678071 0.28716996059801 0.88736406704648 32.065 > 5 47 S 0.32252954321929 0.28716996059801 0.36263593295352 32.065 > 7 48 S 0.32252954321929 0.28716996059801 0.86263593295352 32.065 > 7 49 S 0.32252954321929 0.71283003940199 0.11263593295352 32.065 > 9 50 S 0.32252954321929 0.71283003940199 0.61263593295352 32.065 > 9 51 S 0.67747045678071 0.71283003940199 0.13736406704648 32.065 > 11 52 S 0.67747045678071 0.71283003940199 0.63736406704648 32.065 > 11 53 S 0.64196598704148 0.12285954533425 0.22920845905365 32.065 > 13 54 S 0.64196598704148 0.12285954533425 0.72920845905364 32.065 > 13 55 S 0.35803401295852 0.12285954533425 0.02079154094635 32.065 > 15 56 S 0.35803401295852 0.12285954533425 0.52079154094636 32.065 > 15 57 S 0.35803401295852 0.87714045466575 0.27079154094636 32.065 > 17 58 S 0.35803401295852 0.87714045466575 0.77079154094636 32.065 > 17 59 S 0.64196598704148 0.87714045466575 0.47920845905364 32.065 > 19 60 S 0.64196598704148 0.87714045466575 0.97920845905364 32.065 > 19 61 S 0.20821207321998 0.95710405371234 0.04887400273180 32.065 > 21 62 S 0.20821207321998 0.95710405371234 0.54887400273180 32.065 > 21 63 S 0.79178792678002 0.95710405371234 0.20112599726820 32.065 > 23 64 S 0.79178792678002 0.95710405371234 0.70112599726820 32.065 > 23 65 S 0.79178792678002 0.04289594628766 0.45112599726820 32.065 > 25 66 S 0.79178792678002 0.04289594628766 0.95112599726820 32.065 > 25 67 S 0.20821207321998 0.04289594628766 0.29887400273180 32.065 > 27 68 S 0.20821207321998 0.04289594628766 0.79887400273180 32.065 > 27 69 S 0.46078990065544 0.27582336686834 0.22091889693981 32.065 > 29 70 S 0.46078990065544 0.27582336686834 0.72091889693981 32.065 > 29 71 S 0.53921009934456 0.27582336686834 0.02908110306019 32.065 > 31 72 S 0.53921009934456 0.27582336686834 0.52908110306019 32.065 > 31 73 S 0.50000000000000 0.09282456528893 0.37500000000000 32.065 > 33 74 S 0.50000000000000 0.09282456528893 0.87500000000000 32.065 > 33 75 S 0.50000000000000 0.90717543471106 0.12500000000000 32.065 > 35 76 S 0.50000000000000 0.90717543471106 0.62500000000000 32.065 > 35 77 S 0.46078990065544 0.72417663313166 0.47091889693981 32.065 > 37 78 S 0.46078990065544 0.72417663313166 0.97091889693981 32.065 > 37 79 S 0.53921009934456 0.72417663313166 0.27908110306019 32.065 > 39 80 S 0.53921009934456 0.72417663313166 0.77908110306019 32.065 > 39 81 Ga 0.07221314279436 0.69319653197186 0.30971842789928 69.723 > 81 82 Ga 0.07221314279436 0.69319653197186 0.80971842789928 69.723 > 81 83 Ga 0.92778685720564 0.69319653197186 0.44028157210072 69.723 > 83 84 Ga 0.92778685720564 0.69319653197186 0.94028157210072 69.723 > 83 85 Ga 0.92778685720564 0.30680346802814 0.19028157210072 69.723 > 85 86 Ga 0.92778685720564 0.30680346802814 0.69028157210072 69.723 > 85 87 Ga 0.07221314279436 0.30680346802814 0.05971842789928 69.723 > 87 88 Ga 0.07221314279436 0.30680346802814 0.55971842789928 69.723 > 87 89 Ga 0.89744048683307 0.87694937376922 0.29183032406887 69.723 > 89 90 Ga 0.89744048683307 0.87694937376922 0.79183032406887 69.723 > 89 91 Ga 0.10255951316693 0.87694937376922 0.45816967593113 69.723 > 91 92 Ga 0.10255951316693 0.87694937376922 0.95816967593113 69.723 > 91 93 Ga 0.10255951316693 0.12305062623078 0.20816967593113 69.723 > 93 94 Ga 0.10255951316693 0.12305062623078 0.70816967593113 69.723 > 93 95 Ga 0.89744048683307 0.12305062623078 0.04183032406887 69.723 > 95 96 Ga 0.89744048683307 0.12305062623078 0.54183032406887 69.723 > 95 97 Ga 0.57221314279436 0.19319653197186 0.30971842789928 69.723 > 81 98 Ga 0.57221314279436 0.19319653197186 0.80971842789928 69.723 > 81 99 Ga 0.42778685720564 0.19319653197186 0.44028157210072 69.723 > 83 100 Ga 0.42778685720564 0.19319653197186 0.94028157210072 69.723 > 83 101 Ga 0.42778685720564 0.80680346802814 0.19028157210072 69.723 > 85 102 Ga 0.42778685720564 0.80680346802814 0.69028157210072 69.723 > 85 103 Ga 0.57221314279436 0.80680346802814 0.05971842789928 69.723 > 87 104 Ga 0.57221314279436 0.80680346802814 0.55971842789928 69.723 > 87 105 Ga 0.39744048683307 0.37694937376922 0.29183032406887 69.723 > 89 106 Ga 0.39744048683307 0.37694937376922 0.79183032406887 69.723 > 89 107 Ga 0.60255951316693 0.37694937376922 0.45816967593113 69.723 > 91 108 Ga 0.60255951316693 0.37694937376922 0.95816967593113 69.723 > 91 109 Ga 0.60255951316693 0.62305062623078 0.20816967593113 69.723 > 93 110 Ga 0.60255951316693 0.62305062623078 0.70816967593113 69.723 > 93 111 Ga 0.39744048683307 0.62305062623078 0.04183032406887 69.723 > 95 112 Ga 0.39744048683307 0.62305062623078 0.54183032406887 69.723 > 95 113 Ba 0.35243461913664 0.63567358090231 0.30386847544311 137.327 > 113 114 Ba 0.35243461913664 0.63567358090231 0.80386847544311 137.327 > 113 115 Ba 0.64756538086336 0.63567358090231 0.44613152455689 137.327 > 115 116 Ba 0.64756538086336 0.63567358090231 0.94613152455689 137.327 > 115 117 Ba 0.64756538086336 0.36432641909769 0.19613152455689 137.327 > 117 118 Ba 0.64756538086336 0.36432641909769 0.69613152455689 137.327 > 117 119 Ba 0.35243461913664 0.36432641909769 0.05386847544311 137.327 > 119 120 Ba 0.35243461913664 0.36432641909769 0.55386847544311 137.327 > 119 121 Ba 0.15281013210986 0.42049104643225 0.30188494642772 137.327 > 121 122 Ba 0.15281013210986 0.42049104643225 0.80188494642772 137.327 > 121 123 Ba 0.84718986789014 0.42049104643225 0.44811505357228 137.327 > 123 124 Ba 0.84718986789014 0.42049104643225 0.94811505357228 137.327 > 123 125 Ba 0.84718986789014 0.57950895356775 0.19811505357228 137.327 > 125 126 Ba 0.84718986789014 0.57950895356775 0.69811505357228 137.327 > 125 127 Ba 0.15281013210986 0.57950895356775 0.05188494642772 137.327 > 127 128 Ba 0.15281013210986 0.57950895356775 0.55188494642772 137.327 > 127 129 Ba 0.85243461913664 0.13567358090231 0.30386847544311 137.327 > 113 130 Ba 0.85243461913664 0.13567358090231 0.80386847544311 137.327 > 113 131 Ba 0.14756538086336 0.13567358090231 0.44613152455689 137.327 > 115 132 Ba 0.14756538086336 0.13567358090231 0.94613152455689 137.327 > 115 133 Ba 0.14756538086336 0.86432641909769 0.19613152455689 137.327 > 117 134 Ba 0.14756538086336 0.86432641909769 0.69613152455689 137.327 > 117 135 Ba 0.85243461913664 0.86432641909769 0.05386847544311 137.327 > 119 136 Ba 0.85243461913664 0.86432641909769 0.55386847544311 137.327 > 119 137 Ba 0.65281013210986 0.92049104643225 0.30188494642772 137.327 > 121 138 Ba 0.65281013210986 0.92049104643225 0.80188494642772 137.327 > 121 139 Ba 0.34718986789014 0.92049104643225 0.44811505357228 137.327 > 123 140 Ba 0.34718986789014 0.92049104643225 0.94811505357228 137.327 > 123 141 Ba 0.34718986789014 0.07950895356775 0.19811505357228 137.327 > 125 142 Ba 0.34718986789014 0.07950895356775 0.69811505357228 137.327 > 125 143 Ba 0.65281013210986 0.07950895356775 0.05188494642772 137.327 > 127 144 Ba 0.65281013210986 0.07950895356775 0.55188494642772 137.327 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4644268 0.0000000 -0.0715810 0.0000000 5.4085507 0.0000000 -0.0715724 0.0000000 5.3179427 -------------------------- Born effective charges -------------------------- 1 S -1.8537217 0.0000000 -0.8693874 0.0000000 -2.1700229 0.0000000 -0.6626294 0.0000000 -1.7353603 2 S -1.8537217 0.0000000 -0.8693874 0.0000000 -2.1700229 0.0000000 -0.6626294 0.0000000 -1.7353603 3 S -2.0853064 -0.1323809 0.1295607 -0.2025905 -1.9056868 -0.5937860 0.0320686 -0.5222974 -1.8521618 4 S -2.0853064 0.1323809 0.1295607 0.2025905 -1.9056868 0.5937860 0.0320686 0.5222974 -1.8521618 5 S -2.0853064 -0.1323809 0.1295607 -0.2025905 -1.9056868 -0.5937860 0.0320686 -0.5222974 -1.8521618 6 S -2.0853064 0.1323809 0.1295607 0.2025905 -1.9056868 0.5937860 0.0320686 0.5222974 -1.8521618 7 S -2.3873444 0.4095240 0.6654158 0.4977911 -2.3027648 -0.4398390 0.4430837 -0.0875746 -2.0994200 8 S -2.3873444 -0.4095240 0.6654158 -0.4977911 -2.3027648 0.4398390 0.4430837 0.0875746 -2.0994200 9 S -2.3873444 0.4095240 0.6654158 0.4977911 -2.3027648 -0.4398390 0.4430837 -0.0875746 -2.0994200 10 S -2.3873444 -0.4095240 0.6654158 -0.4977911 -2.3027648 0.4398390 0.4430837 0.0875746 -2.0994200 11 S -2.1477647 -0.4543190 -0.3116539 -0.4560981 -2.1333130 -0.4432599 -0.1332040 -0.2272538 -2.4323934 12 S -2.1477647 0.4543190 -0.3116539 0.4560981 -2.1333130 0.4432599 -0.1332040 0.2272538 -2.4323934 13 S -2.1477647 -0.4543190 -0.3116539 -0.4560981 -2.1333130 -0.4432599 -0.1332040 -0.2272538 -2.4323934 14 S -2.1477647 0.4543190 -0.3116539 0.4560981 -2.1333130 0.4432599 -0.1332040 0.2272538 -2.4323934 15 S -2.0631566 0.4851261 -0.1855181 0.4134414 -2.0593552 0.2726670 -0.0925230 0.1302469 -1.8781768 16 S -2.0631566 -0.4851261 -0.1855181 -0.4134414 -2.0593552 -0.2726670 -0.0925230 -0.1302469 -1.8781768 17 S -2.1617830 0.0000000 0.4234135 0.0000000 -1.8348998 0.0000000 0.3357316 0.0000000 -2.0744731 18 S -2.1617830 0.0000000 0.4234135 0.0000000 -1.8348998 0.0000000 0.3357316 0.0000000 -2.0744731 19 S -2.0631566 -0.4851261 -0.1855181 -0.4134414 -2.0593552 -0.2726670 -0.0925230 -0.1302469 -1.8781768 20 S -2.0631566 0.4851261 -0.1855181 0.4134414 -2.0593552 0.2726670 -0.0925230 0.1302469 -1.8781768 21 Ga 2.7647875 -0.0973731 -0.2150015 -0.1610695 2.3525765 0.1591995 -0.0314711 -0.1113649 2.1591368 22 Ga 2.7647875 0.0973731 -0.2150015 0.1610695 2.3525765 -0.1591995 -0.0314711 0.1113649 2.1591368 23 Ga 2.7647875 -0.0973731 -0.2150015 -0.1610695 2.3525765 0.1591995 -0.0314711 -0.1113649 2.1591368 24 Ga 2.7647875 0.0973731 -0.2150015 0.1610695 2.3525765 -0.1591995 -0.0314711 0.1113649 2.1591368 25 Ga 2.4213196 -0.0235847 0.2246265 -0.0019202 2.3937567 -0.1314587 0.0029830 -0.0116685 2.2735279 26 Ga 2.4213196 0.0235847 0.2246265 0.0019202 2.3937567 0.1314587 0.0029830 0.0116685 2.2735279 27 Ga 2.4213196 -0.0235847 0.2246265 -0.0019202 2.3937567 -0.1314587 0.0029830 -0.0116685 2.2735279 28 Ga 2.4213196 0.0235847 0.2246265 0.0019202 2.3937567 0.1314587 0.0029830 0.0116685 2.2735279 29 Ba 2.6979644 0.1129231 -0.0409564 -0.0663981 2.6618926 0.0189264 -0.2989705 -0.3097159 2.7953112 30 Ba 2.6979644 -0.1129231 -0.0409564 0.0663981 2.6618926 -0.0189264 -0.2989705 0.3097159 2.7953112 31 Ba 2.6979644 0.1129231 -0.0409564 -0.0663981 2.6618926 0.0189264 -0.2989705 -0.3097159 2.7953112 32 Ba 2.6979644 -0.1129231 -0.0409564 0.0663981 2.6618926 -0.0189264 -0.2989705 0.3097159 2.7953112 33 Ba 2.8072529 0.1426592 -0.0434860 0.2693703 2.9953554 0.0607039 0.2414821 0.2452975 2.9390927 34 Ba 2.8072529 -0.1426592 -0.0434860 -0.2693703 2.9953554 -0.0607039 0.2414821 -0.2452975 2.9390927 35 Ba 2.8072529 0.1426592 -0.0434860 0.2693703 2.9953554 0.0607039 0.2414821 0.2452975 2.9390927 36 Ba 2.8072529 -0.1426592 -0.0434860 -0.2693703 2.9953554 -0.0607039 0.2414821 -0.2452975 2.9390927 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 5 5 6 ] 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: 0.43, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 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 0.999 ( 0.000 0.000 0.000) 0.000 1.015 ( 0.000 0.000 0.000) 0.000 1.270 ( 0.000 0.000 0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.184 ( 0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.687 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.743 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 8.839 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 8.979 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.451 ( 0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.037 ( 0.000 0.000 0.000) 0.000 10.071 ( 0.000 0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.135 ( 0.000 0.000 0.000) 0.000 10.149 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.444 ( 0.000 0.000 0.000) 0.000 10.452 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.839 ( 0.000 0.000 0.000) 0.000 10.957 ( 0.000 0.000 0.000) 0.000 10.991 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.413 ( 0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 0.000) 0.000 11.683 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( 5.049 -12.092 1.711) 13.215 0.388 ( 18.536 -10.970 -1.422) 21.586 0.719 ( 20.665 -24.492 8.030) 33.036 0.909 ( 0.448 6.333 -0.783) 6.397 1.098 ( -0.529 -3.582 0.381) 3.640 1.253 ( 0.116 1.856 2.264) 2.930 1.307 ( 0.562 -0.670 -2.812) 2.945 1.390 ( -1.587 6.325 1.016) 6.600 1.466 ( -2.887 0.720 0.209) 2.983 1.514 ( -1.990 -1.540 -2.182) 3.330 1.578 ( -0.241 -4.040 -0.364) 4.064 1.596 ( 1.031 0.644 -0.000) 1.215 1.697 ( 1.964 -3.776 -0.156) 4.259 1.793 ( 0.921 1.969 -0.890) 2.349 1.896 ( -1.118 -2.311 -0.270) 2.581 1.972 ( 1.134 2.671 -3.002) 4.175 2.058 ( 0.605 -0.285 -1.706) 1.833 2.091 ( 3.265 1.923 1.438) 4.053 2.161 ( 0.298 2.666 -0.946) 2.845 2.208 ( 2.753 -2.522 0.650) 3.790 2.246 ( -3.451 -1.249 0.366) 3.688 2.351 ( -8.205 -4.086 -3.555) 9.831 2.429 ( -1.094 1.256 -0.610) 1.774 2.495 ( -4.998 3.704 0.118) 6.222 2.545 ( -2.038 5.879 1.731) 6.458 2.579 ( -1.329 0.683 0.646) 1.628 2.632 ( 2.428 0.682 -2.262) 3.388 2.665 ( -2.381 -3.164 0.216) 3.966 2.686 ( -4.749 -1.678 3.457) 6.109 2.729 ( 3.340 1.539 0.613) 3.728 2.848 ( -0.445 -4.870 0.749) 4.947 2.890 ( -0.621 -3.725 -0.330) 3.791 2.902 ( 7.400 -0.261 -1.924) 7.650 3.022 ( 1.898 0.665 0.125) 2.015 3.110 ( 4.714 1.590 -6.216) 7.962 3.148 ( 2.348 2.227 0.819) 3.338 3.251 ( -0.885 1.947 7.213) 7.523 3.366 ( -1.457 2.196 1.861) 3.226 3.386 ( -2.482 1.123 -1.625) 3.172 3.405 ( -2.081 -1.121 -1.324) 2.709 3.557 ( -0.713 -1.310 -0.535) 1.584 3.665 ( -0.887 1.031 1.005) 1.691 3.673 ( -1.030 1.727 -1.111) 2.297 3.762 ( 1.632 -0.380 0.101) 1.678 3.819 ( -1.886 0.261 -0.591) 1.994 3.843 ( -0.335 -0.374 0.170) 0.531 4.053 ( 1.091 0.018 -0.387) 1.158 4.138 ( 0.029 0.782 0.138) 0.795 4.162 ( 3.109 -4.323 0.893) 5.399 4.229 ( 3.154 -2.962 -0.491) 4.355 4.341 ( 1.347 1.467 0.551) 2.067 4.391 ( -1.799 0.212 -1.491) 2.346 4.425 ( 0.286 -1.086 0.028) 1.124 4.505 ( 0.195 -0.541 2.577) 2.641 4.526 ( -2.953 -5.482 -0.803) 6.278 4.629 ( -0.311 2.507 -0.088) 2.527 4.789 ( 0.963 0.214 0.729) 1.227 4.852 ( -0.171 0.873 -2.347) 2.510 4.863 ( -1.780 0.694 2.122) 2.855 4.989 ( -1.545 -4.714 0.433) 4.980 5.003 ( -0.913 -0.242 -0.158) 0.958 5.016 ( -0.628 -3.019 -0.399) 3.110 5.123 ( -0.148 0.582 -1.019) 1.183 5.159 ( 3.364 5.309 -1.541) 6.471 5.208 ( -0.553 0.623 -0.869) 1.204 5.221 ( 0.654 1.987 6.315) 6.653 5.266 ( -1.012 -1.803 1.134) 2.358 5.325 ( 0.677 0.319 -0.527) 0.915 5.714 ( 0.007 0.404 -0.965) 1.047 5.724 ( -2.662 -1.051 2.838) 4.031 5.849 ( -1.096 -5.537 -13.141) 14.302 5.973 ( -0.834 0.691 1.249) 1.653 6.069 ( 0.190 -0.459 0.125) 0.512 6.139 ( -0.037 0.980 0.654) 1.179 6.269 ( 0.797 3.861 0.528) 3.978 6.343 ( 1.412 1.522 7.236) 7.528 8.845 ( 0.411 -0.039 0.605) 0.733 8.870 ( -0.214 0.617 0.023) 0.653 8.887 ( -0.897 -0.088 0.644) 1.108 8.933 ( -2.611 0.052 0.193) 2.619 8.980 ( 0.872 0.602 0.087) 1.063 9.026 ( -5.140 -5.173 1.680) 7.483 9.172 ( 0.144 0.632 0.064) 0.651 9.192 ( 0.176 -0.461 -0.054) 0.497 9.356 ( 0.408 -0.527 0.430) 0.793 9.400 ( -0.364 -0.060 -0.052) 0.372 9.444 ( 2.128 1.461 -2.444) 3.555 9.487 ( 4.978 2.830 -7.851) 9.717 9.606 ( -1.006 1.996 -0.167) 2.242 9.748 ( -0.842 -1.468 -0.310) 1.720 9.998 ( 0.320 -0.191 0.309) 0.484 10.044 ( 0.285 -0.055 0.344) 0.450 10.079 ( 0.689 -0.533 -0.025) 0.872 10.122 ( -0.631 -0.020 -0.219) 0.669 10.173 ( 2.693 -1.128 -0.200) 2.926 10.289 ( -0.140 -0.380 -0.118) 0.422 10.393 ( -1.804 2.323 2.458) 3.833 10.438 ( -0.338 0.876 -0.566) 1.096 10.514 ( 2.695 -3.046 -3.851) 5.601 10.592 ( 0.062 -3.697 -3.720) 5.245 10.921 ( 2.591 2.107 2.457) 4.146 10.991 ( -0.778 -0.172 -0.679) 1.047 11.019 ( 1.162 0.079 0.141) 1.173 11.392 ( -1.897 2.893 11.711) 12.211 11.447 ( 1.330 0.592 4.003) 4.260 11.613 ( -0.197 -0.338 2.036) 2.073 11.691 ( 3.848 1.382 -10.629) 11.389 11.774 ( -0.942 0.449 -0.133) 1.052 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 6.651 -11.908 2.736) 13.911 0.701 ( -0.006 4.763 -2.487) 5.373 0.783 ( 11.008 -3.800 -3.115) 12.055 1.046 ( -3.823 -1.530 2.356) 4.744 1.171 ( -9.921 7.890 3.227) 13.080 1.264 ( 1.313 1.381 1.185) 2.244 1.276 ( 3.294 -7.520 -1.635) 8.372 1.383 ( 2.384 3.412 2.878) 5.061 1.423 ( 6.762 -10.056 0.449) 12.127 1.540 ( 1.242 -2.349 -3.874) 4.697 1.593 ( 1.451 0.656 1.522) 2.203 1.665 ( 0.926 -3.395 -0.970) 3.651 1.735 ( -0.606 0.432 2.058) 2.188 1.805 ( 1.713 0.123 -2.291) 2.863 1.911 ( 1.167 1.113 1.123) 1.965 1.993 ( 0.376 -4.412 -0.390) 4.445 2.041 ( -0.379 3.428 0.726) 3.525 2.111 ( -4.509 1.927 -6.615) 8.234 2.123 ( 2.360 -0.165 2.364) 3.344 2.163 ( -0.395 3.513 -1.557) 3.863 2.229 ( -2.190 -0.346 0.652) 2.311 2.314 ( -2.089 -1.926 0.947) 2.994 2.340 ( -2.202 4.522 -0.640) 5.070 2.429 ( -1.956 -0.781 -1.125) 2.387 2.437 ( -2.986 4.068 2.492) 5.628 2.562 ( 1.834 0.883 -1.720) 2.665 2.610 ( -2.980 0.149 0.684) 3.061 2.687 ( -0.252 -2.165 0.014) 2.179 2.734 ( -0.170 -2.677 2.924) 3.968 2.750 ( 2.784 0.858 -1.265) 3.177 2.903 ( -0.749 -3.036 1.101) 3.315 2.914 ( 1.055 -0.050 -0.815) 1.334 2.973 ( 2.541 0.655 1.120) 2.853 3.055 ( 3.958 0.024 -0.358) 3.974 3.105 ( 0.133 1.233 -2.354) 2.661 3.165 ( 0.223 -1.478 0.685) 1.644 3.244 ( 1.428 1.026 0.948) 1.998 3.296 ( -5.356 1.193 1.315) 5.643 3.350 ( 0.185 0.879 -1.159) 1.466 3.392 ( -0.355 0.047 -0.845) 0.918 3.560 ( -0.701 -0.717 0.000) 1.002 3.616 ( -0.999 1.519 -1.017) 2.083 3.664 ( 0.204 0.361 0.993) 1.076 3.787 ( -0.721 0.538 -1.054) 1.386 3.795 ( 1.118 -0.371 0.298) 1.215 3.847 ( -0.552 -0.781 0.148) 0.968 4.066 ( 0.778 -0.659 0.356) 1.080 4.104 ( -1.184 1.545 -0.428) 1.994 4.295 ( 3.018 -5.101 0.583) 5.956 4.309 ( 3.116 -1.555 -0.413) 3.506 4.341 ( 0.665 0.682 0.065) 0.955 4.373 ( -0.746 -0.142 -0.549) 0.938 4.432 ( 0.054 0.525 -0.371) 0.645 4.502 ( -1.494 0.962 2.286) 2.895 4.555 ( -0.514 -2.340 -0.380) 2.426 4.599 ( 0.023 1.311 -0.083) 1.314 4.806 ( 1.029 -0.374 1.033) 1.506 4.832 ( -0.806 1.137 -0.611) 1.522 4.848 ( 0.203 -0.222 0.079) 0.311 4.970 ( -1.333 0.999 -0.487) 1.736 5.026 ( -0.806 -2.343 1.449) 2.870 5.062 ( -0.729 -2.956 -0.206) 3.051 5.086 ( 0.920 3.387 -1.746) 3.920 5.140 ( 0.283 0.861 0.121) 0.914 5.190 ( -0.131 0.643 -0.551) 0.857 5.229 ( 0.425 0.147 1.417) 1.486 5.271 ( -0.524 -0.174 1.126) 1.254 5.334 ( 0.410 -0.321 -0.438) 0.681 5.708 ( 0.779 0.402 -1.548) 1.779 5.713 ( -1.511 -0.240 1.758) 2.330 5.866 ( 0.359 -1.752 -3.702) 4.111 5.953 ( -0.827 0.759 1.151) 1.607 6.083 ( 0.492 -0.630 0.146) 0.813 6.122 ( -0.686 0.680 0.039) 0.966 6.239 ( 0.043 1.153 -0.362) 1.209 6.359 ( 0.325 0.332 2.173) 2.222 8.851 ( 0.069 0.212 0.602) 0.642 8.865 ( 0.689 0.170 -0.016) 0.709 8.879 ( -0.319 -0.134 -0.007) 0.346 8.897 ( -1.997 0.343 -0.069) 2.027 8.984 ( 0.413 0.211 0.089) 0.472 9.035 ( -1.103 -1.364 0.272) 1.776 9.167 ( 0.102 0.264 0.044) 0.287 9.198 ( 0.084 -0.172 -0.039) 0.196 9.375 ( 0.673 -0.681 0.629) 1.146 9.394 ( -0.532 0.001 -0.107) 0.542 9.436 ( 0.446 0.901 -1.294) 1.638 9.483 ( 0.958 0.569 -2.058) 2.340 9.574 ( -0.359 0.898 0.042) 0.968 9.753 ( -0.373 -0.489 -0.050) 0.617 10.003 ( 0.094 -0.012 0.200) 0.221 10.049 ( 0.103 -0.109 0.036) 0.154 10.097 ( 0.834 -0.306 -0.017) 0.889 10.113 ( -0.750 -0.101 -0.185) 0.780 10.226 ( 2.191 -1.280 -0.285) 2.554 10.287 ( -0.670 0.058 -0.046) 0.674 10.359 ( -0.920 0.888 1.294) 1.819 10.422 ( -0.068 0.657 -0.190) 0.687 10.567 ( 1.447 -1.486 -1.163) 2.378 10.623 ( 0.533 -0.859 -0.718) 1.240 10.941 ( 0.794 -0.801 1.065) 1.551 10.969 ( -0.839 1.060 -0.832) 1.587 11.038 ( 0.715 -0.387 -0.015) 0.813 11.376 ( -0.683 1.020 3.698) 3.897 11.462 ( 0.515 -0.014 -0.132) 0.532 11.631 ( 0.148 -0.766 2.322) 2.450 11.679 ( 1.001 0.816 -4.327) 4.516 11.755 ( -0.706 0.452 0.173) 0.856 ======================= Grid point 6 (4/48) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 18.874 0.000 8.663) 20.767 0.591 ( 19.024 0.000 8.736) 20.934 0.783 ( 21.131 0.000 1.118) 21.161 1.041 ( 1.345 0.000 -3.388) 3.645 1.064 ( 8.063 0.000 1.333) 8.172 1.236 ( -4.837 -0.000 3.784) 6.142 1.343 ( 4.497 0.000 -4.438) 6.318 1.401 ( -4.454 -0.000 -1.759) 4.789 1.475 ( 1.916 0.000 -0.028) 1.917 1.488 ( -0.184 -0.000 -1.355) 1.367 1.556 ( 3.357 0.000 4.157) 5.343 1.640 ( 1.916 0.000 -1.746) 2.592 1.674 ( 2.959 0.000 -1.684) 3.405 1.809 ( -2.854 -0.000 -0.166) 2.859 1.818 ( 0.249 0.000 -1.272) 1.296 2.025 ( -0.034 -0.000 -0.857) 0.857 2.040 ( 1.031 0.000 -5.249) 5.349 2.138 ( 2.557 0.000 -5.524) 6.087 2.165 ( -3.258 -0.000 3.393) 4.704 2.183 ( -5.202 -0.000 0.124) 5.203 2.228 ( -0.583 -0.000 -1.720) 1.816 2.265 ( 3.366 0.000 2.109) 3.972 2.399 ( -3.096 -0.000 -1.753) 3.558 2.478 ( -1.332 -0.000 1.003) 1.667 2.514 ( -6.032 -0.000 1.557) 6.229 2.581 ( -3.738 -0.000 1.586) 4.060 2.601 ( -2.991 -0.000 0.437) 3.023 2.654 ( 1.328 0.000 0.590) 1.453 2.681 ( 2.950 0.000 -2.314) 3.749 2.773 ( -0.515 -0.000 2.602) 2.652 2.840 ( 0.068 0.000 2.694) 2.695 2.855 ( 4.015 0.000 -0.827) 4.099 2.991 ( 5.752 0.000 -0.169) 5.755 3.064 ( 4.666 0.000 -2.073) 5.106 3.122 ( 0.383 0.000 1.242) 1.300 3.165 ( -5.424 -0.000 -5.864) 7.988 3.263 ( -1.588 -0.000 4.775) 5.032 3.322 ( -5.887 -0.000 -0.950) 5.963 3.374 ( -1.642 -0.000 0.145) 1.648 3.393 ( 1.719 0.000 0.798) 1.896 3.525 ( -1.863 -0.000 -0.052) 1.864 3.648 ( -2.489 -0.000 -1.534) 2.924 3.677 ( -0.005 -0.000 1.380) 1.380 3.797 ( 4.255 0.000 -0.018) 4.255 3.811 ( -0.992 -0.000 0.361) 1.056 3.816 ( -2.025 -0.000 -0.716) 2.148 4.117 ( 4.138 0.000 -0.222) 4.144 4.143 ( 1.931 0.000 2.740) 3.352 4.191 ( 1.466 0.000 -1.464) 2.072 4.206 ( 2.759 0.000 -0.406) 2.789 4.369 ( -2.257 -0.000 0.841) 2.409 4.387 ( 2.038 0.000 -0.118) 2.041 4.409 ( -0.147 -0.000 -0.367) 0.396 4.447 ( 1.347 0.000 0.312) 1.383 4.517 ( -0.599 -0.000 2.608) 2.676 4.633 ( -1.413 -0.000 0.083) 1.415 4.807 ( 1.112 0.000 0.726) 1.328 4.870 ( 0.082 0.000 2.570) 2.571 4.891 ( 0.489 0.000 1.276) 1.367 4.923 ( 1.500 0.000 -1.011) 1.809 4.967 ( -1.811 -0.000 -0.024) 1.811 5.006 ( -0.771 -0.000 -0.001) 0.771 5.151 ( 3.249 0.000 -0.864) 3.362 5.188 ( -1.258 -0.000 -2.104) 2.452 5.218 ( -3.944 -0.000 0.035) 3.944 5.236 ( -0.839 -0.000 -0.742) 1.120 5.256 ( 3.039 0.000 0.086) 3.040 5.333 ( -0.725 -0.000 4.181) 4.244 5.708 ( 1.008 0.000 1.730) 2.002 5.716 ( 0.291 0.000 -1.501) 1.529 5.794 ( 2.615 0.000 -8.267) 8.671 5.973 ( -1.115 -0.000 2.324) 2.578 6.064 ( 0.071 0.000 -0.692) 0.695 6.135 ( -1.414 -0.000 0.319) 1.450 6.271 ( -2.585 -0.000 -0.758) 2.694 6.368 ( -2.121 -0.000 4.951) 5.386 8.827 ( -0.453 -0.000 -0.739) 0.867 8.867 ( -1.837 -0.000 2.202) 2.867 8.870 ( -0.526 -0.000 -0.225) 0.572 8.931 ( -1.572 -0.000 -0.015) 1.572 8.940 ( -0.943 -0.000 1.545) 1.810 9.013 ( 1.849 0.000 0.213) 1.861 9.178 ( -0.158 -0.000 0.125) 0.201 9.191 ( 0.297 0.000 -0.250) 0.389 9.363 ( 0.885 0.000 0.724) 1.144 9.393 ( -0.545 -0.000 0.303) 0.624 9.440 ( -0.594 -0.000 -0.944) 1.115 9.515 ( 0.416 0.000 -7.955) 7.966 9.612 ( -0.476 -0.000 -3.140) 3.176 9.756 ( 1.768 0.000 1.822) 2.539 9.993 ( -0.426 -0.000 1.198) 1.272 10.046 ( 0.102 0.000 0.035) 0.107 10.083 ( 0.882 0.000 -0.070) 0.884 10.125 ( 0.069 0.000 -0.725) 0.729 10.210 ( 4.142 0.000 -1.244) 4.325 10.286 ( 0.292 0.000 -0.251) 0.385 10.393 ( -2.016 -0.000 1.415) 2.463 10.440 ( -0.319 -0.000 0.741) 0.807 10.534 ( 5.449 0.000 -4.658) 7.168 10.608 ( 4.416 0.000 1.060) 4.541 10.914 ( -2.860 -0.000 1.424) 3.195 10.974 ( -1.237 -0.000 -2.575) 2.857 11.039 ( 1.945 0.000 -0.156) 1.952 11.443 ( 2.452 0.000 -1.339) 2.794 11.449 ( -6.484 -0.000 15.577) 16.873 11.620 ( -0.245 -0.000 2.983) 2.993 11.708 ( 2.871 0.000 -12.783) 13.102 11.753 ( -2.257 -0.000 0.736) 2.374 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 14.999 9.761 11.729) 21.397 0.861 ( 14.646 1.940 -3.567) 15.199 0.932 ( 6.211 8.292 -3.063) 10.803 1.017 ( -1.360 -1.174 9.423) 9.593 1.166 ( -1.837 3.582 1.509) 4.299 1.246 ( 4.674 -3.454 -3.258) 6.663 1.339 ( 1.413 5.648 -2.411) 6.301 1.392 ( 1.611 -1.219 1.256) 2.378 1.454 ( 2.977 -2.893 -2.550) 4.872 1.548 ( 4.754 -2.975 2.163) 6.011 1.628 ( 1.437 1.936 -1.207) 2.696 1.648 ( 4.934 -2.405 -1.994) 5.840 1.725 ( -0.202 -0.722 1.076) 1.311 1.806 ( 0.361 -0.897 -4.110) 4.222 1.895 ( 3.071 -5.689 2.359) 6.882 1.976 ( -0.933 3.640 0.316) 3.771 2.045 ( -3.817 2.022 -6.491) 7.797 2.066 ( -0.513 1.145 -0.257) 1.281 2.134 ( -3.479 -0.070 2.777) 4.452 2.156 ( -1.932 -1.312 -1.098) 2.581 2.227 ( 1.574 0.044 1.787) 2.382 2.279 ( -3.728 -0.335 0.158) 3.747 2.356 ( -2.084 0.363 -0.564) 2.190 2.385 ( -0.330 4.068 -1.831) 4.473 2.492 ( 1.171 1.829 2.185) 3.080 2.534 ( -4.218 -1.120 1.313) 4.558 2.626 ( -1.213 -5.315 -0.205) 5.455 2.657 ( 3.816 3.222 -0.399) 5.010 2.723 ( 2.026 -1.516 1.063) 2.744 2.805 ( 0.331 0.769 -0.278) 0.882 2.828 ( -0.902 -2.496 1.167) 2.899 2.923 ( 1.789 -2.150 -0.503) 2.842 3.001 ( -4.761 2.682 -0.327) 5.474 3.062 ( -3.098 -0.157 -1.073) 3.283 3.108 ( 2.422 0.565 0.263) 2.501 3.148 ( 0.621 -2.084 -0.378) 2.207 3.240 ( -4.936 0.413 -0.583) 4.988 3.277 ( 2.051 -0.218 0.036) 2.062 3.340 ( -1.831 0.618 -0.983) 2.168 3.411 ( 1.191 0.760 0.912) 1.681 3.518 ( -1.530 -1.955 0.275) 2.498 3.621 ( -0.146 0.481 -0.342) 0.608 3.675 ( 0.246 0.893 -0.264) 0.963 3.783 ( -0.800 0.588 1.480) 1.782 3.799 ( -1.477 -0.151 -0.295) 1.514 3.861 ( 4.091 -0.096 -0.405) 4.112 4.113 ( 2.592 2.865 0.940) 3.977 4.149 ( 1.484 4.365 -0.759) 4.672 4.241 ( 0.408 -5.107 1.199) 5.262 4.292 ( 1.758 -4.160 -2.347) 5.090 4.336 ( -1.473 0.462 0.597) 1.655 4.401 ( 1.928 0.976 0.230) 2.173 4.433 ( -0.067 -1.377 0.288) 1.409 4.480 ( -1.268 -0.377 2.383) 2.725 4.518 ( 0.330 -1.779 0.688) 1.936 4.605 ( -1.352 1.014 -0.396) 1.735 4.820 ( 0.452 0.061 0.916) 1.023 4.852 ( 0.211 2.778 0.019) 2.786 4.894 ( 2.406 2.140 1.861) 3.719 4.952 ( -0.698 -1.415 -0.511) 1.659 4.980 ( -0.723 -2.838 1.430) 3.260 5.007 ( -0.540 -2.525 0.440) 2.620 5.132 ( -2.736 3.231 -1.217) 4.405 5.165 ( -1.628 -0.549 -1.821) 2.503 5.186 ( 3.851 1.788 -0.653) 4.296 5.227 ( -0.121 -0.291 -1.569) 1.600 5.297 ( 1.696 0.118 1.185) 2.072 5.334 ( -0.389 0.236 1.987) 2.038 5.711 ( 0.221 0.850 0.289) 0.925 5.719 ( 1.035 0.433 -0.859) 1.413 5.826 ( 1.172 -3.238 -3.136) 4.657 5.963 ( -0.688 0.691 2.388) 2.579 6.068 ( -0.276 -0.967 -0.962) 1.392 6.115 ( -1.363 -0.152 0.081) 1.373 6.230 ( -2.324 0.311 -0.242) 2.357 6.356 ( -1.549 0.017 1.618) 2.240 8.836 ( -0.481 -1.639 -1.398) 2.207 8.854 ( -1.493 -0.571 1.441) 2.152 8.863 ( -0.618 -0.539 0.020) 0.821 8.894 ( -0.879 1.275 0.433) 1.608 8.953 ( -1.390 -1.722 0.786) 2.349 9.039 ( 1.588 -0.364 0.211) 1.643 9.172 ( -0.257 0.374 0.047) 0.456 9.195 ( 0.056 -0.308 -0.240) 0.395 9.381 ( 0.827 -0.119 0.711) 1.098 9.390 ( -0.048 -0.168 0.730) 0.751 9.424 ( -1.063 0.288 -0.926) 1.438 9.493 ( -0.167 -0.437 -4.576) 4.600 9.579 ( -0.422 1.662 -1.886) 2.549 9.786 ( 2.648 1.095 2.012) 3.502 9.994 ( -0.696 -0.415 0.912) 1.220 10.047 ( -0.053 -0.145 -0.192) 0.247 10.097 ( 0.429 -0.227 -0.018) 0.486 10.121 ( 0.727 0.506 -0.337) 0.948 10.262 ( 2.855 -1.039 -1.021) 3.205 10.290 ( 1.521 1.103 -0.869) 2.070 10.362 ( -1.180 1.711 1.071) 2.338 10.431 ( -0.156 1.205 0.688) 1.396 10.591 ( 3.443 -0.197 -1.091) 3.617 10.654 ( 3.048 1.442 0.848) 3.477 10.907 ( -1.657 -2.767 0.764) 3.315 10.942 ( -2.600 -0.315 -2.208) 3.426 11.065 ( 2.722 0.873 -0.523) 2.906 11.404 ( -2.971 1.795 5.771) 6.734 11.468 ( 1.154 0.463 0.114) 1.248 11.633 ( 0.214 -0.668 1.843) 1.972 11.683 ( 0.076 1.230 -4.465) 4.632 11.733 ( -1.574 -1.070 -0.891) 2.102 ======================= Grid point 8 (6/48) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 1.108 11.049 3.947) 11.785 0.770 ( -5.429 14.136 -0.147) 15.144 0.895 ( 14.773 11.797 4.168) 19.359 1.140 ( 4.878 3.593 1.734) 6.302 1.162 ( 6.004 -6.504 0.297) 8.856 1.253 ( -0.788 2.329 -3.963) 4.664 1.331 ( -2.734 2.436 -1.672) 4.025 1.379 ( 1.123 5.401 1.711) 5.776 1.481 ( -1.237 4.497 -2.200) 5.157 1.553 ( -2.123 0.019 -2.553) 3.321 1.600 ( 1.972 4.107 3.843) 5.960 1.712 ( -0.048 -1.103 -0.413) 1.179 1.720 ( 2.298 3.859 -1.083) 4.620 1.776 ( -3.163 0.453 -2.518) 4.068 1.854 ( -4.739 -0.849 -1.192) 4.960 1.968 ( -2.850 -4.240 -0.395) 5.124 2.009 ( -0.621 -0.917 0.009) 1.107 2.075 ( -1.781 1.696 0.682) 2.552 2.122 ( 0.250 -1.826 0.901) 2.051 2.210 ( 6.192 -2.763 1.711) 6.993 2.256 ( 0.494 -2.458 0.337) 2.530 2.282 ( 3.171 -1.953 3.260) 4.950 2.345 ( -0.998 -1.929 -2.258) 3.133 2.402 ( 4.241 -2.010 -1.662) 4.979 2.472 ( -2.179 1.458 0.821) 2.747 2.534 ( 0.127 -2.167 1.145) 2.454 2.669 ( 3.036 0.259 -0.556) 3.097 2.694 ( 2.517 -0.733 1.047) 2.823 2.734 ( -1.575 0.825 1.609) 2.398 2.770 ( 0.009 2.633 -4.366) 5.098 2.860 ( -2.457 -3.382 1.342) 4.390 2.891 ( -6.037 -1.102 -1.771) 6.387 2.956 ( 0.774 0.278 -0.071) 0.826 3.022 ( -1.785 1.889 0.536) 2.654 3.098 ( -1.525 1.680 1.403) 2.667 3.174 ( 0.417 -0.278 -0.675) 0.841 3.204 ( -1.477 -1.646 -0.394) 2.246 3.316 ( 0.371 -0.860 -2.210) 2.400 3.330 ( 1.130 -2.198 1.351) 2.817 3.416 ( 0.821 0.662 1.179) 1.582 3.541 ( -0.210 -2.783 0.225) 2.800 3.626 ( 0.974 0.033 0.512) 1.101 3.666 ( 1.352 0.827 -1.674) 2.305 3.769 ( -2.197 0.631 1.495) 2.731 3.793 ( -0.436 -1.508 0.340) 1.606 3.891 ( 2.621 1.998 -0.428) 3.323 4.109 ( 2.320 3.028 -0.632) 3.866 4.135 ( 2.858 1.327 1.373) 3.437 4.260 ( -4.093 -0.262 -0.531) 4.136 4.291 ( -3.186 1.510 0.402) 3.548 4.332 ( -0.326 -0.007 -1.080) 1.128 4.398 ( 0.529 1.479 0.313) 1.601 4.439 ( 0.548 1.095 0.349) 1.273 4.475 ( -0.883 -2.944 0.899) 3.203 4.560 ( 0.530 -1.570 -0.081) 1.658 4.582 ( -0.438 -0.073 -0.674) 0.807 4.813 ( -0.303 2.584 -0.540) 2.657 4.832 ( 0.480 -0.707 0.442) 0.962 4.893 ( 1.904 2.369 1.658) 3.462 4.969 ( 0.648 -1.254 0.523) 1.505 5.020 ( -0.919 -2.438 -0.146) 2.610 5.043 ( -0.194 -2.609 1.530) 3.031 5.074 ( -0.425 0.623 -1.962) 2.102 5.153 ( -0.905 -0.333 0.348) 1.025 5.185 ( -0.297 0.724 -0.523) 0.941 5.231 ( 2.785 1.842 -2.426) 4.127 5.303 ( 1.129 1.434 0.654) 1.939 5.331 ( -0.854 0.217 0.904) 1.262 5.704 ( -0.096 0.334 0.750) 0.827 5.728 ( 1.160 -0.122 -1.408) 1.828 5.873 ( 0.549 -2.445 1.064) 2.723 5.965 ( 1.107 0.110 1.222) 1.652 6.060 ( -1.786 -0.699 -1.547) 2.464 6.126 ( 1.080 -1.143 0.960) 1.842 6.201 ( -2.796 -0.640 -0.429) 2.900 6.338 ( -1.080 0.312 -0.805) 1.383 8.834 ( -0.712 -0.424 -1.045) 1.333 8.851 ( -0.697 -0.638 0.593) 1.115 8.882 ( 0.075 0.034 0.125) 0.150 8.888 ( 0.181 -3.003 0.020) 3.009 8.958 ( -0.923 -0.935 0.376) 1.367 9.064 ( 1.256 -0.608 0.122) 1.400 9.165 ( -0.197 0.142 -0.003) 0.242 9.198 ( -0.072 -0.119 -0.089) 0.165 9.378 ( -0.109 0.787 -0.168) 0.812 9.398 ( -0.691 0.111 0.430) 0.822 9.411 ( -0.131 -0.106 0.800) 0.817 9.492 ( 0.503 -0.764 -2.206) 2.388 9.555 ( -0.532 0.059 -0.331) 0.629 9.806 ( 2.560 2.050 1.572) 3.637 9.992 ( -0.747 -0.315 0.353) 0.884 10.046 ( -0.362 -0.032 -0.195) 0.413 10.093 ( -0.243 0.565 -0.046) 0.616 10.131 ( 0.995 0.057 -0.035) 0.997 10.265 ( 0.089 3.813 0.185) 3.818 10.298 ( 1.627 0.615 -0.285) 1.762 10.342 ( -0.222 -0.891 -1.064) 1.406 10.417 ( -0.112 0.391 0.327) 0.522 10.602 ( 0.712 2.344 0.728) 2.556 10.665 ( 2.370 2.077 1.374) 3.438 10.892 ( -4.190 -0.452 -1.857) 4.605 10.946 ( 0.094 -3.053 -0.033) 3.055 11.068 ( 1.513 2.814 -0.106) 3.197 11.374 ( -0.570 0.363 -0.413) 0.792 11.462 ( -0.405 1.465 1.505) 2.139 11.637 ( 0.844 1.076 -4.258) 4.472 11.666 ( -1.674 -0.892 4.310) 4.709 11.740 ( -0.005 -1.784 -1.001) 2.046 ======================= Grid point 9 (7/48) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -0.000 16.981 0.000) 16.981 0.586 ( -0.000 15.437 0.000) 15.437 0.895 ( -0.000 5.218 0.000) 5.218 0.906 ( -0.000 30.096 0.000) 30.096 1.173 ( -0.000 3.307 0.000) 3.307 1.210 ( 0.000 -1.818 -0.000) 1.818 1.297 ( 0.000 -6.996 -0.000) 6.996 1.353 ( -0.000 3.166 0.000) 3.166 1.492 ( 0.000 -1.120 -0.000) 1.120 1.554 ( -0.000 1.397 0.000) 1.397 1.596 ( -0.000 0.819 0.000) 0.819 1.635 ( -0.000 5.007 0.000) 5.007 1.711 ( -0.000 1.818 0.000) 1.818 1.745 ( 0.000 -3.105 -0.000) 3.105 1.863 ( 0.000 -3.509 -0.000) 3.509 1.995 ( -0.000 1.487 0.000) 1.487 2.035 ( -0.000 0.516 0.000) 0.516 2.037 ( 0.000 -5.210 -0.000) 5.210 2.141 ( 0.000 -0.178 -0.000) 0.178 2.232 ( -0.000 2.734 0.000) 2.734 2.312 ( -0.000 1.092 0.000) 1.092 2.368 ( 0.000 -5.844 -0.000) 5.844 2.397 ( 0.000 -4.312 -0.000) 4.312 2.435 ( 0.000 -3.594 -0.000) 3.594 2.494 ( 0.000 -3.739 -0.000) 3.739 2.577 ( 0.000 -2.864 -0.000) 2.864 2.658 ( -0.000 4.445 0.000) 4.445 2.713 ( -0.000 1.644 0.000) 1.644 2.714 ( -0.000 0.648 0.000) 0.648 2.731 ( -0.000 0.021 0.000) 0.021 2.832 ( -0.000 0.164 0.000) 0.164 2.919 ( 0.000 -0.523 -0.000) 0.523 2.942 ( 0.000 -0.260 -0.000) 0.260 2.978 ( -0.000 1.741 0.000) 1.741 3.059 ( -0.000 1.776 0.000) 1.776 3.158 ( -0.000 2.217 0.000) 2.217 3.222 ( 0.000 -1.650 -0.000) 1.650 3.335 ( 0.000 -2.367 -0.000) 2.367 3.380 ( 0.000 -2.639 -0.000) 2.639 3.423 ( 0.000 -0.207 -0.000) 0.207 3.570 ( 0.000 -0.643 -0.000) 0.643 3.649 ( 0.000 -2.270 -0.000) 2.270 3.669 ( -0.000 0.336 0.000) 0.336 3.750 ( 0.000 -0.364 -0.000) 0.364 3.815 ( 0.000 -1.835 -0.000) 1.835 3.871 ( -0.000 2.954 0.000) 2.954 4.091 ( -0.000 3.229 0.000) 3.229 4.156 ( -0.000 2.238 0.000) 2.238 4.168 ( -0.000 1.765 0.000) 1.765 4.238 ( -0.000 2.919 0.000) 2.919 4.323 ( -0.000 0.078 0.000) 0.078 4.398 ( 0.000 -0.965 -0.000) 0.965 4.428 ( -0.000 0.916 0.000) 0.916 4.509 ( 0.000 -0.572 -0.000) 0.572 4.574 ( 0.000 -0.064 -0.000) 0.064 4.588 ( 0.000 -2.070 -0.000) 2.070 4.783 ( -0.000 0.889 0.000) 0.889 4.848 ( 0.000 -0.913 -0.000) 0.913 4.894 ( -0.000 1.046 0.000) 1.046 4.993 ( 0.000 -1.315 -0.000) 1.315 5.016 ( 0.000 -0.091 -0.000) 0.091 5.058 ( -0.000 1.203 0.000) 1.203 5.086 ( 0.000 -1.829 -0.000) 1.829 5.158 ( -0.000 0.574 0.000) 0.574 5.173 ( 0.000 -0.703 -0.000) 0.703 5.219 ( -0.000 1.462 0.000) 1.462 5.304 ( -0.000 1.927 0.000) 1.927 5.309 ( 0.000 -0.260 -0.000) 0.260 5.707 ( 0.000 -0.576 -0.000) 0.576 5.738 ( 0.000 -0.349 -0.000) 0.349 5.920 ( 0.000 -2.647 -0.000) 2.647 5.990 ( 0.000 -0.423 -0.000) 0.423 6.044 ( 0.000 -0.580 -0.000) 0.580 6.143 ( -0.000 2.095 0.000) 2.095 6.188 ( 0.000 -2.816 -0.000) 2.816 6.321 ( -0.000 0.586 0.000) 0.586 8.832 ( 0.000 -0.438 -0.000) 0.438 8.860 ( 0.000 -0.899 -0.000) 0.899 8.887 ( 0.000 -0.351 -0.000) 0.351 8.935 ( 0.000 -3.031 -0.000) 3.031 8.959 ( 0.000 -0.065 -0.000) 0.065 9.091 ( 0.000 -1.441 -0.000) 1.441 9.164 ( 0.000 -0.293 -0.000) 0.293 9.196 ( -0.000 0.204 0.000) 0.204 9.363 ( -0.000 0.944 0.000) 0.944 9.387 ( -0.000 0.257 0.000) 0.257 9.409 ( -0.000 0.424 0.000) 0.424 9.490 ( -0.000 1.346 0.000) 1.346 9.574 ( 0.000 -3.000 -0.000) 3.000 9.797 ( -0.000 2.517 0.000) 2.517 9.989 ( 0.000 -0.183 -0.000) 0.183 10.040 ( -0.000 0.139 0.000) 0.139 10.082 ( -0.000 0.658 0.000) 0.658 10.137 ( -0.000 0.158 0.000) 0.158 10.199 ( -0.000 4.711 0.000) 4.711 10.298 ( -0.000 0.563 0.000) 0.563 10.363 ( 0.000 -2.252 -0.000) 2.252 10.424 ( 0.000 -1.214 -0.000) 1.214 10.562 ( -0.000 3.870 0.000) 3.870 10.668 ( -0.000 1.702 0.000) 1.702 10.844 ( -0.000 0.466 0.000) 0.466 10.985 ( 0.000 -2.215 -0.000) 2.215 11.033 ( -0.000 2.938 0.000) 2.938 11.372 ( 0.000 -0.087 -0.000) 0.087 11.435 ( -0.000 1.612 0.000) 1.612 11.621 ( -0.000 0.780 0.000) 0.780 11.674 ( 0.000 -0.650 -0.000) 0.650 11.764 ( 0.000 -1.596 -0.000) 1.596 ======================= Grid point 12 (8/48) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -3.412 -0.000 7.035) 7.819 1.013 ( 9.047 0.000 0.869) 9.088 1.063 ( 3.412 0.000 -2.900) 4.478 1.082 ( 5.408 0.000 5.846) 7.964 1.204 ( 7.050 0.000 2.610) 7.517 1.291 ( 2.363 0.000 -4.557) 5.134 1.381 ( 0.686 0.000 -4.935) 4.982 1.420 ( 2.702 0.000 -0.321) 2.721 1.513 ( 4.049 0.000 2.610) 4.817 1.516 ( 2.181 0.000 1.907) 2.897 1.644 ( 1.123 0.000 -2.608) 2.839 1.693 ( -4.763 -0.000 0.223) 4.768 1.698 ( 4.900 0.000 0.807) 4.966 1.775 ( -0.050 -0.000 -3.063) 3.064 1.914 ( -5.168 -0.000 -1.178) 5.300 2.028 ( 1.193 0.000 -1.689) 2.067 2.031 ( 2.108 0.000 -2.626) 3.368 2.089 ( -1.094 -0.000 -1.365) 1.749 2.105 ( 8.585 0.000 3.680) 9.341 2.116 ( -1.219 -0.000 -0.414) 1.287 2.240 ( -2.300 -0.000 2.344) 3.284 2.247 ( 0.911 0.000 2.782) 2.928 2.320 ( -3.171 -0.000 -0.916) 3.301 2.426 ( -0.609 -0.000 -0.091) 0.615 2.463 ( -4.102 -0.000 2.038) 4.580 2.512 ( -1.054 -0.000 -0.739) 1.287 2.552 ( -0.489 -0.000 -1.279) 1.370 2.719 ( 2.236 0.000 -0.578) 2.310 2.753 ( 2.144 0.000 0.557) 2.215 2.771 ( 0.126 0.000 0.555) 0.569 2.856 ( -0.031 -0.000 1.590) 1.591 2.862 ( -8.234 -0.000 -1.549) 8.378 2.921 ( -1.587 -0.000 -2.087) 2.622 3.080 ( 0.824 0.000 0.854) 1.187 3.114 ( -0.888 -0.000 -0.155) 0.901 3.143 ( 0.867 0.000 -0.697) 1.113 3.184 ( -2.607 -0.000 -0.933) 2.769 3.295 ( 1.501 0.000 -0.371) 1.546 3.320 ( -1.585 -0.000 -0.006) 1.585 3.433 ( 0.738 0.000 0.605) 0.954 3.492 ( -0.529 -0.000 0.564) 0.773 3.629 ( 0.652 0.000 0.382) 0.755 3.688 ( 0.854 0.000 -0.615) 1.052 3.764 ( -0.923 -0.000 -0.799) 1.221 3.793 ( -1.467 -0.000 1.657) 2.213 3.909 ( 3.062 0.000 -0.161) 3.067 4.167 ( -0.077 -0.000 -0.039) 0.087 4.197 ( 0.579 0.000 0.480) 0.752 4.221 ( 1.384 0.000 -0.158) 1.393 4.267 ( 1.795 0.000 -1.099) 2.105 4.327 ( -0.850 -0.000 1.105) 1.394 4.407 ( 0.437 0.000 0.130) 0.456 4.435 ( 0.472 0.000 0.435) 0.642 4.497 ( -1.138 -0.000 1.265) 1.702 4.512 ( 2.694 0.000 0.626) 2.766 4.589 ( -1.844 -0.000 -0.395) 1.886 4.823 ( -0.314 -0.000 0.757) 0.820 4.895 ( 0.190 0.000 -0.531) 0.564 4.925 ( 1.339 0.000 0.627) 1.478 4.938 ( -0.331 -0.000 -0.036) 0.333 4.960 ( 0.293 0.000 0.943) 0.987 4.993 ( 1.448 0.000 1.756) 2.276 5.101 ( -3.793 -0.000 0.117) 3.795 5.123 ( -2.847 -0.000 -2.106) 3.541 5.212 ( 0.273 0.000 -1.608) 1.631 5.266 ( 4.879 0.000 -2.017) 5.279 5.315 ( 0.426 0.000 1.527) 1.585 5.338 ( -0.526 -0.000 1.615) 1.699 5.723 ( 1.011 0.000 -1.442) 1.761 5.750 ( 0.850 0.000 1.700) 1.901 5.793 ( 0.163 0.000 -2.034) 2.041 5.968 ( -0.421 -0.000 1.852) 1.899 6.049 ( -0.981 -0.000 -1.378) 1.691 6.092 ( -1.041 -0.000 -0.038) 1.041 6.204 ( -1.632 -0.000 0.114) 1.636 6.344 ( -1.030 -0.000 0.759) 1.279 8.818 ( 0.414 0.000 -0.875) 0.968 8.839 ( -0.910 -0.000 0.666) 1.128 8.843 ( -1.462 -0.000 0.089) 1.465 8.892 ( -0.868 -0.000 0.299) 0.918 8.933 ( -0.304 -0.000 0.771) 0.828 9.052 ( 0.863 0.000 0.026) 0.863 9.171 ( -0.287 -0.000 0.029) 0.288 9.192 ( 0.012 0.000 -0.247) 0.247 9.390 ( 0.067 0.000 0.916) 0.918 9.402 ( 1.436 0.000 1.282) 1.925 9.412 ( -0.718 -0.000 -1.435) 1.604 9.461 ( -1.356 -0.000 -2.588) 2.922 9.578 ( -0.401 -0.000 -1.850) 1.893 9.835 ( 2.316 0.000 1.420) 2.717 9.987 ( -0.531 -0.000 0.744) 0.914 10.045 ( -0.062 -0.000 -0.212) 0.220 10.102 ( 0.392 0.000 -0.026) 0.393 10.131 ( 0.370 0.000 -0.116) 0.388 10.272 ( 0.868 0.000 0.191) 0.889 10.315 ( 1.658 0.000 -2.387) 2.907 10.370 ( -0.469 -0.000 0.420) 0.630 10.459 ( 1.049 0.000 1.959) 2.222 10.628 ( 2.708 0.000 -1.001) 2.887 10.707 ( 1.722 0.000 0.955) 1.969 10.862 ( -1.105 -0.000 0.316) 1.150 10.895 ( -2.744 -0.000 -1.512) 3.133 11.115 ( 3.620 0.000 -0.977) 3.749 11.380 ( -3.975 -0.000 4.229) 5.804 11.502 ( 2.289 0.000 -1.064) 2.524 11.633 ( -0.386 -0.000 2.366) 2.397 11.687 ( 0.688 0.000 -4.504) 4.557 11.688 ( -2.445 -0.000 0.686) 2.540 ======================= Grid point 13 (9/48) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -0.000 8.432 0.000) 8.432 0.950 ( -0.000 12.792 0.000) 12.792 1.104 ( 0.000 -2.234 -0.000) 2.234 1.166 ( 0.000 -0.632 -0.000) 0.632 1.235 ( -0.000 3.653 0.000) 3.653 1.299 ( -0.000 6.757 0.000) 6.757 1.347 ( 0.000 -1.710 -0.000) 1.710 1.416 ( -0.000 1.930 0.000) 1.930 1.511 ( -0.000 0.941 0.000) 0.941 1.540 ( -0.000 3.369 0.000) 3.369 1.676 ( 0.000 -2.027 -0.000) 2.027 1.692 ( 0.000 -1.904 -0.000) 1.904 1.735 ( 0.000 -1.401 -0.000) 1.401 1.771 ( -0.000 2.456 0.000) 2.456 1.867 ( 0.000 -5.397 -0.000) 5.397 1.924 ( -0.000 16.623 0.000) 16.623 2.000 ( -0.000 0.999 0.000) 0.999 2.092 ( 0.000 -3.698 -0.000) 3.698 2.098 ( -0.000 1.508 0.000) 1.508 2.171 ( 0.000 -1.981 -0.000) 1.981 2.255 ( 0.000 -0.919 -0.000) 0.919 2.290 ( 0.000 -1.861 -0.000) 1.861 2.364 ( 0.000 -2.543 -0.000) 2.543 2.416 ( -0.000 0.143 0.000) 0.143 2.418 ( 0.000 -0.098 -0.000) 0.098 2.502 ( 0.000 -2.608 -0.000) 2.608 2.630 ( 0.000 -8.403 -0.000) 8.403 2.713 ( -0.000 1.805 0.000) 1.805 2.762 ( -0.000 1.293 0.000) 1.293 2.771 ( -0.000 0.698 0.000) 0.698 2.808 ( 0.000 -1.791 -0.000) 1.791 2.834 ( -0.000 1.529 0.000) 1.529 2.942 ( 0.000 -2.700 -0.000) 2.700 3.054 ( -0.000 3.033 0.000) 3.033 3.110 ( -0.000 0.749 0.000) 0.749 3.157 ( 0.000 -1.683 -0.000) 1.683 3.176 ( 0.000 -0.885 -0.000) 0.885 3.306 ( -0.000 0.207 0.000) 0.207 3.316 ( 0.000 -1.439 -0.000) 1.439 3.433 ( -0.000 0.777 0.000) 0.777 3.505 ( 0.000 -2.006 -0.000) 2.006 3.634 ( -0.000 0.081 0.000) 0.081 3.689 ( -0.000 0.779 0.000) 0.779 3.767 ( 0.000 -1.294 -0.000) 1.294 3.771 ( -0.000 1.493 0.000) 1.493 3.928 ( -0.000 0.532 0.000) 0.532 4.151 ( -0.000 1.587 0.000) 1.587 4.195 ( -0.000 0.825 0.000) 0.825 4.229 ( -0.000 0.705 0.000) 0.705 4.279 ( 0.000 -0.103 -0.000) 0.103 4.327 ( 0.000 -0.205 -0.000) 0.205 4.425 ( -0.000 1.703 0.000) 1.703 4.426 ( 0.000 -2.242 -0.000) 2.242 4.473 ( -0.000 2.233 0.000) 2.233 4.546 ( 0.000 -1.127 -0.000) 1.127 4.573 ( 0.000 -0.424 -0.000) 0.424 4.826 ( 0.000 -0.589 -0.000) 0.589 4.857 ( -0.000 3.649 0.000) 3.649 4.934 ( -0.000 0.717 0.000) 0.717 4.962 ( 0.000 -0.456 -0.000) 0.456 4.969 ( 0.000 -2.903 -0.000) 2.903 5.031 ( 0.000 -1.555 -0.000) 1.555 5.061 ( -0.000 0.437 0.000) 0.437 5.116 ( 0.000 -2.358 -0.000) 2.358 5.200 ( -0.000 1.521 0.000) 1.521 5.286 ( -0.000 1.968 0.000) 1.968 5.320 ( 0.000 -0.417 -0.000) 0.417 5.332 ( -0.000 0.849 0.000) 0.849 5.725 ( -0.000 2.471 0.000) 2.471 5.729 ( 0.000 -0.193 -0.000) 0.193 5.832 ( 0.000 -3.764 -0.000) 3.764 5.971 ( 0.000 -0.436 -0.000) 0.436 6.037 ( 0.000 -0.044 -0.000) 0.044 6.104 ( 0.000 -2.404 -0.000) 2.404 6.187 ( -0.000 0.916 0.000) 0.916 6.336 ( -0.000 0.360 0.000) 0.360 8.824 ( 0.000 -0.100 -0.000) 0.100 8.838 ( 0.000 -0.557 -0.000) 0.557 8.846 ( 0.000 -2.421 -0.000) 2.421 8.884 ( -0.000 0.294 0.000) 0.294 8.940 ( 0.000 -0.931 -0.000) 0.931 9.062 ( 0.000 -0.529 -0.000) 0.529 9.166 ( -0.000 0.290 0.000) 0.290 9.194 ( 0.000 -0.266 -0.000) 0.266 9.392 ( -0.000 1.031 0.000) 1.031 9.394 ( -0.000 0.179 0.000) 0.179 9.419 ( -0.000 0.185 0.000) 0.185 9.459 ( 0.000 -2.232 -0.000) 2.232 9.564 ( -0.000 1.037 0.000) 1.037 9.848 ( -0.000 0.939 0.000) 0.939 9.985 ( 0.000 -0.089 -0.000) 0.089 10.043 ( -0.000 0.075 0.000) 0.075 10.101 ( -0.000 0.514 0.000) 0.514 10.135 ( 0.000 -0.239 -0.000) 0.239 10.281 ( 0.000 -0.148 -0.000) 0.148 10.325 ( 0.000 -0.625 -0.000) 0.625 10.352 ( -0.000 2.544 0.000) 2.544 10.444 ( -0.000 3.025 0.000) 3.025 10.635 ( -0.000 1.358 0.000) 1.358 10.710 ( -0.000 1.167 0.000) 1.167 10.857 ( -0.000 0.248 0.000) 0.248 10.898 ( 0.000 -3.423 -0.000) 3.423 11.123 ( -0.000 2.462 0.000) 2.462 11.362 ( 0.000 -0.437 -0.000) 0.437 11.497 ( -0.000 2.387 0.000) 2.387 11.646 ( 0.000 -1.269 -0.000) 1.269 11.652 ( -0.000 1.521 0.000) 1.521 11.707 ( 0.000 -2.233 -0.000) 2.233 ======================= Grid point 25 (10/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 5.550 0.000 18.128) 18.958 0.385 ( -12.262 -0.000 19.062) 22.665 0.799 ( 0.841 0.000 34.915) 34.925 0.996 ( 0.486 0.000 1.773) 1.838 1.044 ( -5.648 -0.000 2.438) 6.152 1.270 ( 5.660 0.000 -2.327) 6.120 1.288 ( -2.647 -0.000 0.093) 2.648 1.387 ( 0.162 0.000 -2.865) 2.869 1.424 ( 1.984 0.000 -3.276) 3.830 1.558 ( 2.221 0.000 0.161) 2.227 1.571 ( -0.745 -0.000 -1.526) 1.698 1.600 ( 1.778 0.000 1.440) 2.288 1.635 ( -4.845 -0.000 2.931) 5.663 1.769 ( -0.449 -0.000 -3.835) 3.862 1.888 ( -1.604 -0.000 0.216) 1.618 2.015 ( -0.043 -0.000 -4.570) 4.570 2.054 ( -7.799 -0.000 -4.786) 9.150 2.073 ( -2.138 -0.000 1.588) 2.663 2.173 ( 1.101 0.000 -2.459) 2.694 2.185 ( -0.634 -0.000 0.640) 0.901 2.287 ( 1.503 0.000 1.521) 2.139 2.290 ( -1.267 -0.000 2.991) 3.248 2.436 ( -0.953 -0.000 -3.158) 3.299 2.462 ( -0.492 -0.000 -5.862) 5.883 2.512 ( 4.433 0.000 -2.131) 4.919 2.638 ( -1.843 -0.000 2.172) 2.848 2.640 ( -0.876 -0.000 -1.328) 1.591 2.674 ( -2.100 -0.000 -1.527) 2.596 2.694 ( 2.035 0.000 -2.497) 3.221 2.751 ( 5.342 0.000 3.127) 6.190 2.756 ( 4.098 0.000 3.650) 5.488 2.814 ( 4.402 0.000 0.563) 4.438 2.906 ( -5.649 -0.000 4.369) 7.141 3.000 ( -1.478 -0.000 0.193) 1.490 3.039 ( -2.552 -0.000 2.206) 3.374 3.135 ( 0.615 0.000 1.179) 1.329 3.312 ( 0.883 0.000 -6.483) 6.543 3.377 ( -0.020 -0.000 -0.676) 0.676 3.393 ( 0.409 0.000 0.180) 0.447 3.567 ( -2.618 -0.000 -0.169) 2.623 3.614 ( -2.186 -0.000 4.217) 4.750 3.674 ( 0.629 0.000 -2.563) 2.639 3.700 ( 0.482 0.000 -1.222) 1.314 3.702 ( 1.501 0.000 -4.049) 4.318 3.832 ( -0.461 -0.000 -0.078) 0.468 3.846 ( -0.148 -0.000 -0.389) 0.416 4.039 ( -0.347 -0.000 0.751) 0.827 4.076 ( 3.593 0.000 -2.609) 4.440 4.143 ( 0.138 0.000 -0.575) 0.591 4.155 ( 0.419 0.000 -1.236) 1.305 4.365 ( -0.005 -0.000 1.731) 1.731 4.405 ( 0.325 0.000 0.580) 0.665 4.421 ( -1.648 -0.000 -0.723) 1.799 4.439 ( 0.373 0.000 0.464) 0.596 4.544 ( 1.249 0.000 4.385) 4.559 4.648 ( 0.358 0.000 -0.181) 0.401 4.774 ( 0.977 0.000 -0.141) 0.987 4.820 ( 2.069 0.000 -2.116) 2.960 4.881 ( 0.680 0.000 -0.630) 0.927 4.939 ( -1.836 -0.000 2.550) 3.142 5.000 ( 0.261 0.000 -1.367) 1.391 5.008 ( -0.193 -0.000 0.716) 0.742 5.118 ( 6.004 0.000 -0.476) 6.022 5.126 ( 0.197 0.000 -0.097) 0.219 5.175 ( -0.598 -0.000 -1.086) 1.239 5.231 ( -2.531 -0.000 0.709) 2.628 5.274 ( 0.323 0.000 -0.449) 0.553 5.314 ( 3.183 0.000 -3.618) 4.819 5.705 ( 0.948 0.000 1.589) 1.850 5.764 ( -2.426 -0.000 3.686) 4.413 5.877 ( -9.928 -0.000 -2.810) 10.318 6.029 ( -2.908 -0.000 3.066) 4.226 6.051 ( -0.075 -0.000 -1.405) 1.407 6.142 ( 0.786 0.000 -0.710) 1.059 6.316 ( -1.044 -0.000 0.308) 1.089 6.410 ( 7.998 0.000 -2.000) 8.244 8.836 ( -0.655 -0.000 -0.043) 0.656 8.860 ( 1.949 0.000 0.246) 1.964 8.912 ( -1.028 -0.000 3.044) 3.213 8.944 ( -0.132 -0.000 -0.677) 0.690 8.954 ( 2.055 0.000 -1.907) 2.804 9.090 ( 2.848 0.000 1.782) 3.359 9.170 ( 0.544 0.000 -0.583) 0.797 9.180 ( 0.026 0.000 -0.490) 0.490 9.334 ( 0.779 0.000 -1.371) 1.577 9.390 ( 0.422 0.000 -1.204) 1.276 9.454 ( -0.625 -0.000 0.379) 0.731 9.525 ( -22.655 -0.000 0.524) 22.661 9.619 ( -0.847 -0.000 -1.150) 1.428 9.707 ( 2.180 0.000 -1.974) 2.941 10.006 ( 1.002 0.000 1.091) 1.481 10.060 ( -1.498 -0.000 -0.341) 1.537 10.078 ( -0.340 -0.000 0.563) 0.657 10.125 ( -0.686 -0.000 -0.519) 0.860 10.152 ( -1.164 -0.000 0.283) 1.198 10.176 ( 10.681 0.000 0.465) 10.691 10.292 ( -0.313 -0.000 0.473) 0.567 10.438 ( 1.226 0.000 -1.511) 1.946 10.480 ( -0.642 -0.000 3.250) 3.313 10.594 ( -5.330 -0.000 0.602) 5.364 10.908 ( 1.480 0.000 -3.185) 3.512 10.955 ( 7.527 0.000 -3.751) 8.410 11.027 ( -1.933 -0.000 1.993) 2.777 11.086 ( 10.486 0.000 1.868) 10.651 11.418 ( -1.470 -0.000 0.520) 1.559 11.589 ( 3.376 0.000 -1.942) 3.894 11.804 ( 0.012 0.000 2.262) 2.262 12.022 ( -7.195 -0.000 -1.194) 7.293 ======================= Grid point 26 (11/48) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -0.025 -4.506 13.814) 14.531 0.631 ( 7.678 -7.017 16.216) 19.265 0.860 ( -3.766 8.584 -1.267) 9.459 1.086 ( 1.816 -6.428 2.864) 7.268 1.143 ( 5.410 -12.424 20.162) 24.293 1.253 ( 1.886 1.715 0.443) 2.587 1.309 ( 1.908 0.329 0.932) 2.149 1.377 ( 1.372 0.028 -1.882) 2.329 1.449 ( 2.520 1.195 -0.703) 2.877 1.506 ( -4.858 4.463 2.416) 7.026 1.570 ( -0.492 -2.040 0.684) 2.207 1.627 ( -0.388 -1.314 1.813) 2.273 1.674 ( 1.709 -5.859 -2.265) 6.510 1.749 ( 1.112 1.274 -3.077) 3.511 1.876 ( 0.026 -1.221 -0.727) 1.421 1.927 ( -0.608 0.728 -1.960) 2.177 2.002 ( 0.151 -0.260 -5.565) 5.573 2.064 ( -2.855 -2.327 -0.184) 3.687 2.175 ( 2.206 2.694 -2.105) 4.069 2.220 ( 2.264 1.322 -0.018) 2.622 2.284 ( -4.686 0.292 3.139) 5.648 2.302 ( -0.356 -2.739 1.748) 3.269 2.396 ( -1.103 0.598 -3.563) 3.778 2.459 ( 2.231 2.022 -3.015) 4.261 2.532 ( -2.151 5.413 -2.763) 6.447 2.562 ( -0.669 -0.465 -0.307) 0.871 2.624 ( -3.814 0.469 2.533) 4.602 2.642 ( -1.712 0.296 -2.654) 3.172 2.716 ( -0.818 -3.141 -0.435) 3.274 2.756 ( 1.937 3.119 0.513) 3.707 2.830 ( 1.520 -2.872 0.451) 3.280 2.897 ( -0.855 -2.125 1.383) 2.676 2.938 ( 8.141 -0.907 2.926) 8.698 3.011 ( 1.696 -1.494 -0.475) 2.310 3.049 ( -0.340 -2.043 0.593) 2.155 3.157 ( 0.853 -0.714 0.853) 1.402 3.276 ( -0.430 0.646 -7.743) 7.782 3.381 ( 1.400 0.761 0.208) 1.607 3.393 ( -1.487 0.407 1.124) 1.908 3.437 ( -6.575 5.250 3.989) 9.311 3.608 ( -2.367 -0.868 3.430) 4.257 3.635 ( -1.525 2.267 -1.483) 3.109 3.690 ( -0.150 0.474 0.398) 0.637 3.716 ( 2.699 0.111 -3.603) 4.503 3.803 ( -0.612 1.495 -0.900) 1.849 3.838 ( -0.687 -0.321 -0.806) 1.107 4.048 ( 1.218 0.393 -0.217) 1.298 4.130 ( -1.077 1.367 -0.888) 1.954 4.161 ( 4.970 -4.028 -0.982) 6.472 4.201 ( 3.149 -3.777 -1.654) 5.188 4.363 ( 0.693 0.738 0.855) 1.325 4.375 ( -0.603 1.686 0.258) 1.809 4.441 ( -0.028 -1.152 0.993) 1.521 4.497 ( -0.309 -5.039 -0.807) 5.112 4.574 ( 0.377 -0.471 3.244) 3.300 4.625 ( -0.476 2.820 0.078) 2.861 4.796 ( 1.659 -0.137 0.423) 1.718 4.826 ( 2.296 1.713 -0.713) 2.952 4.899 ( -1.104 1.634 1.470) 2.460 4.937 ( 0.730 -3.716 -3.274) 5.006 4.991 ( 0.286 0.884 -1.579) 1.832 5.026 ( -1.053 -2.719 1.027) 3.092 5.099 ( -1.879 2.380 -0.923) 3.170 5.139 ( 2.318 1.268 -0.188) 2.648 5.190 ( -1.451 0.185 -1.035) 1.792 5.231 ( 0.612 -0.532 -1.018) 1.302 5.262 ( -0.571 -1.682 -0.590) 1.872 5.346 ( 3.272 1.013 -1.501) 3.739 5.720 ( -1.976 0.626 0.934) 2.274 5.741 ( 0.667 -0.670 0.893) 1.300 5.791 ( -4.479 -2.357 2.194) 5.517 6.017 ( -0.695 1.245 2.630) 2.992 6.058 ( 0.127 -1.372 -0.916) 1.655 6.139 ( -0.090 0.687 -0.425) 0.813 6.273 ( -0.695 2.733 0.498) 2.863 6.416 ( -0.352 2.153 -0.611) 2.266 8.841 ( -0.938 -1.686 -0.662) 2.040 8.873 ( 0.920 0.967 0.025) 1.335 8.912 ( -0.990 -0.234 2.827) 3.005 8.929 ( -1.061 0.844 -0.829) 1.589 8.982 ( 2.617 -0.047 -1.404) 2.970 9.072 ( -4.007 0.974 2.667) 4.911 9.167 ( 0.294 0.648 -0.375) 0.804 9.186 ( 0.243 -0.509 -0.549) 0.787 9.345 ( 1.531 -0.709 -1.374) 2.176 9.385 ( -0.482 0.057 -0.534) 0.722 9.398 ( -1.401 -0.551 0.502) 1.587 9.460 ( -1.584 -2.589 0.731) 3.121 9.592 ( -0.857 1.250 -1.055) 1.847 9.730 ( 2.181 0.356 -1.303) 2.565 10.019 ( 0.633 0.408 1.413) 1.601 10.048 ( -0.174 -0.072 -0.050) 0.195 10.084 ( 0.380 -0.545 0.401) 0.776 10.115 ( -0.837 -0.391 -0.349) 0.988 10.169 ( 1.541 -1.649 -0.229) 2.269 10.291 ( -0.399 -0.291 0.346) 0.603 10.355 ( 7.504 -3.263 -4.145) 9.173 10.442 ( -1.216 -1.626 -0.801) 2.183 10.463 ( 0.116 2.393 2.504) 3.466 10.592 ( 0.557 -2.183 1.010) 2.469 10.911 ( 1.531 -0.079 -2.250) 2.723 10.970 ( 1.505 0.565 -3.265) 3.639 11.013 ( -2.697 -0.318 1.136) 2.944 11.254 ( 10.795 -0.292 -8.600) 13.805 11.415 ( -0.231 -0.786 -0.108) 0.826 11.627 ( 3.150 0.085 -0.661) 3.220 11.803 ( -1.011 0.387 2.473) 2.700 11.851 ( -9.773 4.316 6.138) 12.321 ======================= Grid point 27 (12/48) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 8.271 -6.268 5.478) 11.735 0.669 ( -3.143 9.544 -0.612) 10.067 0.884 ( 7.738 -7.869 11.034) 15.606 1.106 ( -1.916 6.017 2.970) 6.978 1.212 ( -2.830 1.030 1.534) 3.380 1.246 ( -3.402 0.782 -0.600) 3.542 1.293 ( -3.508 3.907 2.151) 5.674 1.430 ( 0.091 0.997 1.888) 2.137 1.454 ( 0.709 -5.548 0.227) 5.598 1.579 ( 5.038 -4.568 3.589) 7.689 1.620 ( 1.071 -0.542 0.574) 1.330 1.665 ( -0.003 -4.362 3.582) 5.644 1.725 ( 0.999 -1.996 -3.199) 3.901 1.772 ( 0.287 -1.900 0.536) 1.995 1.933 ( 1.806 0.060 1.377) 2.272 1.960 ( 0.126 -0.821 -4.479) 4.556 2.003 ( 2.260 -6.846 0.558) 7.231 2.065 ( -0.175 -1.631 -0.253) 1.660 2.114 ( -0.960 5.098 -2.223) 5.644 2.197 ( 0.270 2.849 -1.388) 3.180 2.216 ( 0.388 3.872 4.282) 5.786 2.337 ( 0.013 0.190 -0.388) 0.432 2.343 ( -4.082 -0.916 1.135) 4.335 2.400 ( -5.997 0.039 -0.113) 5.998 2.466 ( 1.534 3.976 -1.082) 4.397 2.525 ( 0.268 1.105 -0.145) 1.146 2.595 ( 0.899 0.394 -2.257) 2.461 2.634 ( -0.124 -0.620 -2.828) 2.898 2.728 ( 0.732 3.136 -1.583) 3.589 2.767 ( 0.209 -3.439 -0.184) 3.450 2.867 ( 0.905 0.811 -2.606) 2.876 2.898 ( -2.051 -2.326 -0.969) 3.249 3.034 ( 1.286 0.178 1.298) 1.836 3.058 ( 2.024 -1.499 -0.721) 2.620 3.080 ( 2.126 -0.851 3.548) 4.223 3.181 ( 0.338 -1.538 0.740) 1.741 3.241 ( -0.862 0.917 -4.254) 4.436 3.315 ( -2.424 2.065 3.418) 4.671 3.378 ( -2.695 -1.092 1.263) 3.170 3.399 ( 1.155 1.092 1.788) 2.393 3.598 ( 0.721 0.896 -0.512) 1.259 3.603 ( -2.205 -0.906 2.861) 3.724 3.674 ( -1.897 0.494 0.497) 2.022 3.731 ( 3.553 1.155 -3.622) 5.204 3.794 ( 1.109 0.041 -0.783) 1.359 3.834 ( -0.801 -0.805 -1.330) 1.748 4.065 ( 1.167 -0.454 -0.472) 1.338 4.086 ( -0.633 1.853 -1.324) 2.363 4.270 ( 3.349 -3.817 -1.978) 5.450 4.291 ( 1.543 -3.379 -1.624) 4.054 4.351 ( 0.520 1.411 0.033) 1.504 4.377 ( 0.822 -0.287 0.986) 1.316 4.428 ( -1.074 1.837 0.317) 2.151 4.547 ( -0.098 -2.761 -0.170) 2.768 4.561 ( -1.154 3.424 2.627) 4.467 4.596 ( -0.435 0.133 0.168) 0.484 4.815 ( 0.828 0.646 0.053) 1.051 4.829 ( 0.031 0.870 0.503) 1.005 4.867 ( 0.744 1.391 1.073) 1.908 4.953 ( -0.502 0.333 -1.165) 1.312 5.003 ( 2.162 -1.216 -4.100) 4.792 5.034 ( -0.205 1.474 -2.020) 2.509 5.061 ( -0.519 -1.772 0.331) 1.876 5.137 ( -0.981 0.918 -0.396) 1.400 5.166 ( -1.729 -0.478 -1.136) 2.123 5.215 ( 0.863 0.519 -0.318) 1.056 5.291 ( -0.240 -0.830 -0.406) 0.954 5.356 ( 0.739 0.851 0.521) 1.242 5.691 ( -0.674 0.362 -0.509) 0.919 5.764 ( -0.182 -0.288 2.836) 2.857 5.816 ( 0.702 -3.605 -0.245) 3.681 5.996 ( -0.305 1.647 2.474) 2.988 6.074 ( -0.239 -1.170 -0.930) 1.513 6.125 ( -0.030 0.799 0.285) 0.849 6.247 ( -0.401 0.428 0.821) 1.009 6.369 ( -1.431 2.321 -1.012) 2.908 8.842 ( -1.015 -0.599 -0.702) 1.372 8.874 ( 0.775 0.097 0.163) 0.798 8.896 ( -0.710 1.307 -0.314) 1.520 8.912 ( -1.201 -0.168 3.090) 3.319 9.004 ( 2.583 1.158 -0.848) 2.955 9.027 ( -3.074 -0.159 1.675) 3.504 9.162 ( 0.171 0.308 -0.447) 0.569 9.192 ( 0.155 -0.341 -0.523) 0.643 9.363 ( 0.273 0.330 -1.913) 1.960 9.389 ( 0.247 -0.374 -0.550) 0.710 9.402 ( 2.181 -0.567 -0.731) 2.369 9.493 ( -2.342 -4.958 1.711) 5.745 9.567 ( -0.479 0.348 -0.472) 0.757 9.742 ( 2.330 1.480 -0.822) 2.880 10.020 ( 0.162 0.787 1.258) 1.493 10.049 ( -0.079 -0.306 0.007) 0.316 10.100 ( 0.834 -0.401 0.260) 0.961 10.111 ( -0.860 -0.469 0.052) 0.981 10.215 ( 1.460 -1.771 -0.868) 2.454 10.288 ( -0.593 0.118 0.161) 0.626 10.397 ( -2.267 0.540 1.462) 2.751 10.402 ( -0.019 1.169 -0.751) 1.389 10.525 ( 5.127 -1.435 -2.256) 5.783 10.633 ( 0.780 -1.475 1.185) 2.047 10.935 ( 0.938 -1.379 -1.376) 2.163 10.965 ( -1.074 -0.309 -2.267) 2.528 10.982 ( -0.111 1.221 -1.939) 2.294 11.295 ( 3.386 2.565 -7.968) 9.030 11.426 ( 0.652 -0.617 -0.479) 1.017 11.651 ( 0.931 1.167 -0.729) 1.662 11.742 ( -3.542 1.043 4.950) 6.175 11.806 ( -1.325 -1.399 4.239) 4.656 ======================= Grid point 28 (13/48) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 3.758 11.494 5.767) 13.397 0.797 ( 4.516 -6.840 5.175) 9.693 0.866 ( -9.466 12.530 2.761) 15.944 1.087 ( 0.240 4.385 6.801) 8.095 1.129 ( 4.287 -5.680 2.159) 7.437 1.239 ( -2.468 -0.052 -0.341) 2.492 1.330 ( 1.275 -4.063 -1.679) 4.578 1.367 ( -9.991 6.176 6.674) 13.509 1.479 ( -2.923 3.062 3.414) 5.438 1.537 ( -3.852 1.046 -2.794) 4.873 1.637 ( -3.030 3.988 3.030) 5.854 1.658 ( 0.103 0.829 -0.555) 1.003 1.710 ( -0.663 -2.460 0.763) 2.660 1.812 ( -0.415 -3.808 -1.986) 4.314 1.884 ( -1.558 -0.108 -1.270) 2.013 2.016 ( 0.136 -0.955 -0.649) 1.163 2.023 ( -2.231 1.415 1.175) 2.892 2.073 ( 0.151 -1.343 -2.721) 3.038 2.164 ( 0.246 -1.786 -0.810) 1.977 2.194 ( 4.991 0.937 -1.052) 5.186 2.261 ( 1.926 -0.260 3.593) 4.085 2.302 ( -0.737 -0.138 -0.855) 1.137 2.359 ( 2.526 -5.057 -0.051) 5.653 2.377 ( 1.099 -3.499 1.471) 3.951 2.454 ( 1.775 0.493 0.206) 1.854 2.557 ( 2.546 -0.406 -0.631) 2.654 2.604 ( 2.647 0.778 -4.970) 5.684 2.615 ( 1.053 1.275 -0.707) 1.798 2.678 ( -0.368 2.952 -2.302) 3.761 2.787 ( -1.995 -0.472 1.392) 2.478 2.831 ( 0.448 2.545 -4.029) 4.787 2.885 ( -1.573 0.589 -2.125) 2.708 3.027 ( -2.967 0.021 3.662) 4.713 3.070 ( -1.257 -0.636 0.159) 1.418 3.125 ( 1.095 0.538 1.825) 2.195 3.168 ( -1.953 1.511 0.242) 2.481 3.240 ( 2.093 -1.871 -2.451) 3.726 3.307 ( -1.494 -1.480 4.510) 4.977 3.390 ( -0.339 -0.927 1.743) 2.003 3.413 ( 2.416 -0.683 0.089) 2.513 3.600 ( 0.357 0.128 2.585) 2.612 3.625 ( 1.092 -1.988 -0.398) 2.303 3.644 ( -1.127 0.293 -0.187) 1.180 3.752 ( 1.870 0.432 -2.716) 3.326 3.803 ( 0.431 -0.097 -0.387) 0.588 3.825 ( -0.143 -0.080 -1.774) 1.781 4.049 ( 0.169 0.944 -1.210) 1.544 4.102 ( 1.966 -0.939 -0.718) 2.294 4.276 ( -2.542 4.077 -1.079) 4.925 4.285 ( -3.438 1.388 -2.111) 4.266 4.356 ( 0.245 0.441 -0.050) 0.507 4.373 ( -0.292 -1.876 -0.041) 1.899 4.430 ( 1.486 -0.204 0.195) 1.512 4.512 ( -0.096 2.599 2.716) 3.761 4.555 ( 0.198 2.034 -0.384) 2.079 4.598 ( -0.375 -1.812 0.071) 1.852 4.792 ( -0.811 0.906 -0.247) 1.241 4.820 ( 0.074 0.794 -0.899) 1.202 4.876 ( 1.516 0.853 1.467) 2.275 4.962 ( 2.146 0.144 -1.651) 2.711 4.995 ( -0.016 0.870 -1.202) 1.484 5.028 ( 0.736 -0.100 -3.109) 3.196 5.100 ( 1.521 0.411 -1.149) 1.950 5.104 ( -1.835 -2.196 -1.386) 3.180 5.160 ( 0.704 -0.841 -0.612) 1.256 5.227 ( -0.869 -1.112 1.302) 1.920 5.274 ( -0.305 1.807 -0.378) 1.871 5.346 ( -0.309 1.053 -0.386) 1.164 5.687 ( 0.648 0.119 -0.808) 1.042 5.773 ( -1.487 -0.575 4.559) 4.830 5.881 ( 1.922 -3.308 -2.048) 4.340 6.006 ( 1.886 -0.660 5.009) 5.393 6.072 ( -0.881 -0.126 -0.654) 1.105 6.126 ( 1.258 0.456 0.438) 1.409 6.236 ( -2.892 -0.640 -2.175) 3.675 6.324 ( 0.338 1.782 0.526) 1.889 8.836 ( -0.498 -0.395 -0.290) 0.699 8.871 ( -0.249 0.809 -0.179) 0.865 8.895 ( 1.168 -0.542 -0.017) 1.288 8.914 ( -0.286 0.043 3.005) 3.019 9.000 ( -1.345 0.225 -1.454) 1.993 9.015 ( 1.813 1.290 1.654) 2.773 9.160 ( -0.005 -0.158 -0.555) 0.578 9.194 ( -0.043 0.024 -0.497) 0.500 9.346 ( 0.036 0.777 -2.132) 2.269 9.390 ( 0.233 0.142 -0.415) 0.497 9.447 ( 2.263 -0.633 0.111) 2.352 9.540 ( -1.676 -4.755 0.922) 5.125 9.575 ( -1.355 -3.507 1.270) 3.969 9.745 ( 2.288 2.070 -0.693) 3.162 10.015 ( 0.068 0.798 1.114) 1.372 10.049 ( -0.320 0.152 0.068) 0.361 10.101 ( -1.140 0.077 0.274) 1.175 10.116 ( 0.724 -0.194 0.202) 0.776 10.222 ( -2.061 0.352 -0.993) 2.315 10.285 ( 0.657 -0.152 -0.343) 0.756 10.349 ( -1.988 1.086 0.442) 2.308 10.409 ( 0.253 -1.049 -1.348) 1.727 10.561 ( 1.549 1.874 -0.888) 2.588 10.662 ( 0.842 -0.551 2.006) 2.244 10.907 ( -4.201 0.120 -2.669) 4.979 10.957 ( 2.242 2.417 -5.820) 6.689 10.986 ( 0.902 -2.064 0.709) 2.362 11.229 ( -1.403 4.537 -6.327) 7.911 11.446 ( 1.062 -0.569 -0.486) 1.299 11.606 ( -1.715 2.641 -1.102) 3.336 11.750 ( 1.026 -0.849 2.196) 2.568 11.854 ( -0.172 -4.297 6.248) 7.585 ======================= Grid point 29 (14/48) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 3.752 12.932 14.998) 20.156 0.532 ( -9.940 14.132 10.210) 20.069 0.924 ( -19.186 8.598 16.990) 27.031 0.942 ( -3.419 -1.724 9.009) 9.788 1.119 ( 2.510 1.162 3.028) 4.101 1.187 ( 0.383 -1.231 -2.936) 3.207 1.336 ( 0.280 -2.138 -0.101) 2.159 1.364 ( 0.217 -1.218 -3.581) 3.789 1.435 ( -1.226 0.871 0.028) 1.504 1.510 ( 0.471 -0.350 -1.242) 1.374 1.589 ( 0.463 2.560 0.910) 2.756 1.623 ( -1.070 1.804 1.388) 2.515 1.701 ( -2.741 2.826 0.508) 3.969 1.786 ( -2.628 -1.199 -1.469) 3.241 1.898 ( 0.289 -1.749 0.587) 1.868 2.004 ( -1.980 -2.576 -2.801) 4.289 2.057 ( 1.701 -2.049 1.809) 3.219 2.079 ( -2.215 -2.805 -1.480) 3.869 2.180 ( -1.116 -1.268 -0.740) 1.844 2.208 ( -2.515 1.358 -0.407) 2.887 2.241 ( 5.393 0.599 -1.216) 5.561 2.339 ( 1.940 1.260 -3.060) 3.836 2.435 ( 0.955 -1.560 -0.800) 1.996 2.439 ( 0.932 -2.940 -3.941) 5.005 2.502 ( 1.717 -0.189 -2.055) 2.684 2.594 ( 0.988 -3.052 1.046) 3.374 2.607 ( 4.016 -0.202 -0.709) 4.083 2.661 ( 3.898 0.062 1.662) 4.238 2.667 ( 5.107 0.332 -1.329) 5.288 2.739 ( -4.625 0.579 -0.080) 4.662 2.789 ( -0.183 4.228 -1.744) 4.577 2.826 ( -0.103 4.313 -2.341) 4.908 2.980 ( -5.835 0.683 4.332) 7.300 3.038 ( -3.592 0.215 0.933) 3.718 3.096 ( -2.722 2.474 1.416) 3.941 3.141 ( -0.573 0.794 -0.001) 0.979 3.292 ( 2.132 -2.648 -4.386) 5.549 3.352 ( 0.213 -2.980 3.528) 4.623 3.398 ( 0.532 0.533 0.105) 0.761 3.475 ( 3.212 -3.755 3.337) 5.963 3.618 ( 0.304 0.458 4.056) 4.093 3.647 ( 1.285 -1.249 -0.321) 1.820 3.668 ( 1.223 -2.110 -2.344) 3.382 3.722 ( -1.432 1.157 -3.215) 3.705 3.818 ( 0.965 -0.548 -0.755) 1.343 3.833 ( 0.794 -0.985 -0.548) 1.379 4.051 ( 1.929 0.522 -1.132) 2.297 4.127 ( -2.076 2.104 -0.583) 3.013 4.140 ( -2.002 2.631 -1.021) 3.460 4.205 ( -2.888 2.745 -2.361) 4.631 4.350 ( -0.727 -0.998 1.205) 1.726 4.409 ( 0.142 -2.172 -0.495) 2.232 4.423 ( 0.091 2.153 0.207) 2.164 4.497 ( 0.631 3.393 -0.252) 3.461 4.528 ( 1.099 2.457 2.506) 3.678 4.625 ( 0.402 -2.053 -0.259) 2.108 4.777 ( -0.066 0.541 -0.438) 0.699 4.810 ( 0.641 0.201 -2.433) 2.524 4.888 ( 1.456 1.048 0.084) 1.796 4.955 ( -0.249 1.154 -0.744) 1.395 4.998 ( 0.120 -0.712 -1.200) 1.401 5.018 ( 0.652 1.850 0.727) 2.091 5.074 ( 0.622 0.582 -2.203) 2.362 5.126 ( 1.535 0.749 -0.846) 1.906 5.201 ( -3.042 -2.376 0.887) 3.960 5.225 ( 0.741 -1.607 -0.023) 1.770 5.257 ( 1.176 1.058 0.009) 1.582 5.320 ( -0.070 1.309 -2.194) 2.555 5.694 ( 0.995 0.339 0.012) 1.051 5.774 ( -2.042 -0.454 4.355) 4.831 5.928 ( 0.343 -2.367 -3.379) 4.140 6.057 ( -1.211 -0.334 -0.547) 1.370 6.102 ( 0.903 -3.071 2.282) 3.931 6.129 ( -2.146 1.301 0.079) 2.511 6.197 ( 3.249 -3.092 1.058) 4.608 6.337 ( 2.451 1.061 2.594) 3.723 8.839 ( 0.227 -0.418 0.393) 0.616 8.858 ( 0.337 1.352 -0.401) 1.450 8.913 ( -0.511 -0.182 2.538) 2.595 8.929 ( 1.723 -0.298 -0.311) 1.776 8.968 ( -0.808 1.360 -2.068) 2.604 9.038 ( 2.480 0.382 3.082) 3.975 9.163 ( 0.123 -0.519 -0.652) 0.842 9.187 ( -0.149 0.391 -0.527) 0.673 9.333 ( 0.467 0.386 -1.740) 1.843 9.390 ( 0.491 0.209 -0.922) 1.066 9.462 ( 0.180 0.581 0.544) 0.816 9.590 ( 1.273 -2.653 -1.198) 3.177 9.631 ( -5.694 -9.270 1.941) 11.051 9.738 ( -0.411 0.575 -1.830) 1.962 10.007 ( -0.227 0.901 0.673) 1.147 10.042 ( -0.081 -0.150 0.466) 0.496 10.085 ( -0.852 0.290 0.480) 1.020 10.123 ( 0.436 0.293 0.076) 0.531 10.170 ( -3.324 0.552 -0.803) 3.463 10.288 ( 0.079 2.144 -3.325) 3.957 10.303 ( -1.915 2.681 -1.883) 3.795 10.423 ( 0.431 -1.017 -1.829) 2.137 10.511 ( -1.373 4.393 0.864) 4.683 10.683 ( -2.458 -0.620 -0.852) 2.674 10.831 ( -1.533 0.090 -1.369) 2.058 10.933 ( 3.382 3.376 -4.418) 6.508 11.027 ( 1.091 -1.168 1.826) 2.427 11.105 ( -2.395 6.220 -2.498) 7.118 11.446 ( -1.673 0.564 0.913) 1.987 11.566 ( 1.801 1.150 -2.691) 3.436 11.784 ( 1.077 -0.733 1.878) 2.285 11.965 ( 0.592 -7.863 5.235) 9.464 ======================= Grid point 31 (15/48) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 17.741 0.000 1.962) 17.849 0.804 ( 12.724 0.000 9.581) 15.928 0.971 ( 2.905 0.000 -0.743) 2.998 1.022 ( 4.401 0.000 0.324) 4.412 1.161 ( 1.034 0.000 11.485) 11.532 1.325 ( -3.103 -0.000 3.869) 4.960 1.330 ( 5.506 0.000 5.189) 7.566 1.389 ( -0.526 -0.000 0.219) 0.570 1.472 ( 3.043 0.000 3.466) 4.612 1.505 ( -3.724 -0.000 2.992) 4.776 1.608 ( 2.456 0.000 1.065) 2.677 1.611 ( 2.730 0.000 -3.763) 4.649 1.634 ( 1.291 0.000 0.739) 1.487 1.776 ( 2.118 0.000 -2.942) 3.625 1.841 ( 1.691 0.000 3.567) 3.948 1.943 ( 1.617 0.000 -3.504) 3.859 1.982 ( 0.221 0.000 -6.658) 6.662 2.017 ( -0.337 -0.000 -1.477) 1.515 2.181 ( -2.290 -0.000 -1.416) 2.692 2.213 ( -4.236 -0.000 0.070) 4.237 2.288 ( -0.407 -0.000 6.313) 6.326 2.306 ( 2.622 0.000 2.683) 3.751 2.359 ( -1.990 -0.000 -2.199) 2.966 2.471 ( -1.361 -0.000 -0.494) 1.448 2.543 ( 0.800 0.000 -5.018) 5.081 2.570 ( -3.626 -0.000 1.894) 4.091 2.595 ( -2.396 -0.000 -0.201) 2.404 2.646 ( -3.857 -0.000 1.256) 4.057 2.647 ( 3.837 0.000 -1.679) 4.188 2.789 ( -0.045 -0.000 -0.594) 0.596 2.837 ( 1.122 0.000 -1.544) 1.908 2.858 ( -0.385 -0.000 -0.402) 0.556 3.011 ( -0.413 -0.000 -5.265) 5.281 3.012 ( 2.843 0.000 0.070) 2.844 3.085 ( 6.776 0.000 4.786) 8.295 3.165 ( -0.847 -0.000 2.804) 2.929 3.226 ( -1.908 -0.000 -8.144) 8.365 3.362 ( -4.055 -0.000 1.112) 4.205 3.398 ( -5.600 -0.000 2.739) 6.233 3.415 ( 1.927 0.000 1.027) 2.184 3.580 ( -3.110 -0.000 4.225) 5.246 3.617 ( -1.161 -0.000 -1.696) 2.055 3.698 ( -0.768 -0.000 1.001) 1.262 3.748 ( 4.584 0.000 -4.239) 6.244 3.802 ( -1.971 -0.000 -1.166) 2.290 3.818 ( 0.240 0.000 -0.152) 0.284 4.111 ( 3.780 0.000 -0.292) 3.791 4.161 ( 1.286 0.000 -0.909) 1.574 4.172 ( 3.293 0.000 -0.453) 3.324 4.172 ( 1.727 0.000 -2.393) 2.951 4.386 ( 0.902 0.000 0.648) 1.110 4.399 ( -1.155 -0.000 1.517) 1.907 4.418 ( 1.180 0.000 -0.256) 1.207 4.466 ( 1.250 0.000 1.653) 2.073 4.578 ( -1.349 -0.000 2.895) 3.194 4.630 ( -1.627 -0.000 0.010) 1.627 4.827 ( 1.877 0.000 1.504) 2.406 4.873 ( 1.397 0.000 -1.798) 2.277 4.900 ( 1.139 0.000 -1.034) 1.538 4.937 ( 1.931 0.000 1.619) 2.520 4.968 ( -2.080 -0.000 0.107) 2.083 5.004 ( 0.380 0.000 -0.499) 0.627 5.121 ( 1.759 0.000 -1.406) 2.252 5.146 ( -1.533 -0.000 -2.329) 2.788 5.160 ( -2.097 -0.000 -2.347) 3.147 5.222 ( -3.841 -0.000 0.269) 3.851 5.247 ( 4.184 0.000 -1.091) 4.324 5.381 ( 0.951 0.000 -1.158) 1.498 5.698 ( -1.168 -0.000 -0.492) 1.268 5.747 ( 0.938 0.000 1.853) 2.077 5.760 ( -0.728 -0.000 3.033) 3.119 6.033 ( -0.683 -0.000 3.195) 3.267 6.046 ( 0.258 0.000 -1.028) 1.060 6.132 ( -1.239 -0.000 -0.362) 1.291 6.262 ( -2.674 -0.000 -0.351) 2.697 6.405 ( -2.317 -0.000 -0.707) 2.422 8.812 ( -0.712 -0.000 -0.512) 0.877 8.889 ( 0.031 0.000 0.237) 0.239 8.898 ( -1.871 -0.000 2.047) 2.773 8.926 ( -0.595 -0.000 0.225) 0.636 8.996 ( -0.155 -0.000 -0.375) 0.406 9.034 ( -2.879 -0.000 4.227) 5.114 9.174 ( -0.014 -0.000 -0.397) 0.397 9.181 ( 0.248 0.000 -0.661) 0.706 9.359 ( 2.139 0.000 -1.362) 2.536 9.388 ( 0.291 0.000 -1.182) 1.217 9.389 ( 1.487 0.000 -2.590) 2.986 9.425 ( -1.611 -0.000 -0.013) 1.612 9.581 ( -1.147 -0.000 -0.867) 1.438 9.771 ( 3.179 0.000 -0.163) 3.183 10.028 ( -0.481 -0.000 1.928) 1.987 10.042 ( -0.177 -0.000 -0.544) 0.572 10.089 ( 0.868 0.000 0.664) 1.093 10.115 ( 0.423 0.000 -0.175) 0.458 10.182 ( 3.101 0.000 -1.478) 3.435 10.288 ( -0.108 -0.000 0.425) 0.438 10.402 ( -0.318 -0.000 -1.034) 1.082 10.457 ( 7.669 0.000 -1.948) 7.912 10.487 ( -0.387 -0.000 3.477) 3.499 10.612 ( 3.979 0.000 -0.629) 4.029 10.894 ( -0.848 -0.000 -2.622) 2.756 10.969 ( -3.202 -0.000 1.675) 3.614 10.997 ( 2.125 0.000 -3.495) 4.090 11.336 ( 6.376 0.000 -10.885) 12.615 11.422 ( 1.788 0.000 -0.661) 1.906 11.664 ( 2.182 0.000 0.062) 2.183 11.768 ( -9.123 -0.000 6.580) 11.249 11.790 ( -2.560 -0.000 2.749) 3.757 ======================= Grid point 32 (16/48) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 16.996 3.673 -2.120) 17.517 0.852 ( 7.309 8.702 -2.383) 11.611 1.004 ( 8.432 3.582 11.032) 14.340 1.177 ( -0.888 1.973 2.221) 3.101 1.193 ( 5.698 -4.241 1.022) 7.176 1.224 ( -6.141 3.770 3.877) 8.183 1.340 ( -4.641 5.097 2.950) 7.498 1.403 ( 0.021 -0.715 2.140) 2.257 1.450 ( 3.688 -0.613 1.201) 3.927 1.603 ( 2.328 1.734 -0.000) 2.903 1.621 ( 2.200 -3.652 2.443) 4.914 1.659 ( 3.172 -2.381 2.171) 4.522 1.686 ( 1.483 -1.960 -4.687) 5.293 1.778 ( -1.078 0.342 1.323) 1.740 1.922 ( -2.241 2.844 -4.853) 6.055 1.963 ( 2.051 -2.706 0.588) 3.446 1.966 ( 2.135 -2.877 1.263) 3.799 2.050 ( 3.037 -3.470 -1.001) 4.719 2.108 ( -4.333 2.547 -1.800) 5.339 2.199 ( 0.236 -2.146 3.342) 3.979 2.282 ( -0.496 2.572 2.869) 3.885 2.316 ( -2.740 0.034 3.862) 4.735 2.339 ( -0.402 0.794 -1.115) 1.427 2.371 ( -1.466 6.872 0.980) 7.095 2.507 ( -1.451 0.781 -3.924) 4.256 2.537 ( 0.017 0.955 2.004) 2.221 2.598 ( 1.400 -2.712 -3.002) 4.281 2.632 ( 0.021 -0.467 0.004) 0.468 2.719 ( 2.484 -2.467 -0.974) 3.634 2.783 ( 0.442 3.477 -2.406) 4.251 2.813 ( -2.681 -3.604 -1.213) 4.653 2.871 ( 0.643 -0.114 -4.274) 4.323 2.980 ( -5.076 -3.192 -0.751) 6.043 3.053 ( 2.194 -0.122 -0.614) 2.281 3.154 ( -1.131 -1.084 1.268) 2.015 3.162 ( 2.436 0.553 2.323) 3.411 3.201 ( -1.227 -1.117 -1.234) 2.068 3.318 ( -2.429 0.118 2.569) 3.537 3.347 ( -1.703 0.724 1.268) 2.243 3.432 ( 0.874 0.854 0.869) 1.499 3.560 ( -2.855 -1.123 3.006) 4.295 3.611 ( 0.945 0.125 -0.797) 1.242 3.672 ( -1.415 1.506 0.453) 2.115 3.766 ( 0.299 -0.396 -2.237) 2.292 3.806 ( 1.634 0.458 -1.615) 2.343 3.824 ( 2.016 0.034 -1.779) 2.689 4.112 ( 1.856 3.198 -0.933) 3.814 4.135 ( 2.844 2.812 -0.461) 4.026 4.235 ( 0.997 -3.911 -2.256) 4.624 4.245 ( 0.941 -3.112 -1.142) 3.446 4.370 ( -0.076 1.277 1.777) 2.189 4.410 ( 1.636 0.647 0.311) 1.787 4.435 ( -0.444 -0.105 -0.243) 0.517 4.510 ( 1.213 -2.582 1.004) 3.024 4.560 ( -3.024 -0.120 2.572) 3.971 4.595 ( -1.676 1.411 0.084) 2.193 4.840 ( 0.122 0.790 1.187) 1.431 4.847 ( -0.309 2.784 -0.665) 2.879 4.925 ( 1.365 1.606 0.727) 2.229 4.934 ( 1.338 -1.781 -1.085) 2.478 5.005 ( 1.360 -0.456 -1.251) 1.903 5.012 ( -0.183 -2.750 1.417) 3.099 5.074 ( -1.355 3.896 -4.047) 5.779 5.131 ( -0.099 -0.021 -1.446) 1.449 5.155 ( 2.450 0.169 -1.538) 2.898 5.186 ( -3.361 -1.729 -0.449) 3.806 5.300 ( 2.872 -0.401 -0.816) 3.012 5.369 ( -0.933 0.783 0.003) 1.218 5.689 ( 0.321 0.090 -1.144) 1.192 5.759 ( -1.157 -0.171 3.443) 3.636 5.793 ( 2.009 -2.385 -0.502) 3.158 6.019 ( -0.938 1.151 2.508) 2.915 6.054 ( -0.077 -0.891 -0.065) 0.897 6.120 ( -1.030 -0.863 0.394) 1.400 6.225 ( -2.616 0.100 -0.606) 2.687 6.367 ( -1.831 0.930 -0.243) 2.068 8.814 ( -0.336 -1.151 -0.615) 1.348 8.876 ( -1.124 -0.022 0.413) 1.198 8.888 ( -1.422 -0.210 1.163) 1.849 8.915 ( -0.629 0.634 2.317) 2.483 8.980 ( -2.802 -0.998 1.273) 3.235 9.038 ( 1.202 0.060 0.385) 1.264 9.166 ( -0.120 0.441 -0.457) 0.646 9.186 ( 0.143 -0.480 -0.614) 0.792 9.370 ( 0.743 0.961 -1.750) 2.130 9.391 ( 0.675 0.181 -1.904) 2.028 9.408 ( 1.342 -1.608 -1.091) 2.362 9.422 ( -0.814 -2.287 0.051) 2.428 9.565 ( -0.246 0.629 0.133) 0.688 9.801 ( 2.837 1.283 -0.304) 3.128 10.023 ( -1.070 0.079 1.647) 1.965 10.042 ( -0.035 -0.403 -0.336) 0.526 10.103 ( 0.174 -0.102 0.614) 0.646 10.119 ( 1.092 0.408 0.143) 1.175 10.228 ( 3.516 -0.628 -1.913) 4.052 10.287 ( -0.117 0.224 0.408) 0.479 10.383 ( -1.390 0.515 0.248) 1.503 10.448 ( 0.827 4.536 1.067) 4.733 10.572 ( 4.491 -1.913 -0.277) 4.890 10.657 ( 3.566 0.705 -0.758) 3.713 10.887 ( -1.517 -1.712 -1.752) 2.881 10.937 ( -2.505 -0.692 1.178) 2.853 11.009 ( 2.916 0.953 -4.066) 5.093 11.330 ( 1.127 2.359 -9.100) 9.468 11.447 ( 2.694 0.297 -0.830) 2.835 11.654 ( -2.948 0.888 0.291) 3.093 11.728 ( -0.824 -0.515 4.883) 4.979 11.772 ( -2.770 -1.573 3.522) 4.749 ======================= Grid point 33 (17/48) ======================= q-point: (-0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 5.557 8.712 1.484) 10.439 0.899 ( -3.305 10.845 8.900) 14.414 0.997 ( 6.496 5.884 4.739) 9.964 1.139 ( -1.992 0.993 -3.220) 3.914 1.159 ( 3.511 4.187 0.964) 5.549 1.247 ( 0.338 0.989 5.116) 5.222 1.318 ( 2.174 0.035 0.455) 2.221 1.407 ( -0.561 2.351 2.878) 3.758 1.500 ( -4.170 7.896 3.892) 9.741 1.533 ( 2.824 1.271 0.702) 3.175 1.639 ( -2.444 1.224 -1.258) 3.009 1.668 ( -0.373 0.323 -2.702) 2.747 1.727 ( 1.761 3.369 2.483) 4.541 1.759 ( 0.758 -1.709 0.218) 1.883 1.835 ( -2.254 -0.561 -0.651) 2.412 1.960 ( -5.366 -2.355 -1.358) 6.015 2.004 ( -0.077 -1.210 -0.099) 1.217 2.046 ( -0.301 -0.370 -2.829) 2.868 2.122 ( 0.373 -2.845 -0.633) 2.939 2.256 ( -1.235 -0.588 0.223) 1.386 2.271 ( -2.902 1.407 -1.166) 3.430 2.299 ( 3.952 -0.276 -1.955) 4.418 2.349 ( 4.594 -1.308 3.943) 6.194 2.387 ( 4.773 -2.061 3.188) 6.099 2.458 ( -2.081 0.502 -2.613) 3.378 2.549 ( -0.874 -2.175 1.212) 2.639 2.634 ( 2.317 0.377 -4.504) 5.079 2.666 ( 3.916 -0.726 0.704) 4.044 2.714 ( 0.712 2.412 -1.828) 3.109 2.752 ( -1.915 1.040 -2.019) 2.971 2.819 ( -2.985 -4.031 -1.335) 5.191 2.859 ( 0.441 0.774 -1.535) 1.774 2.971 ( -3.160 -2.419 1.663) 4.314 3.058 ( -0.745 0.335 1.217) 1.466 3.162 ( -1.604 3.239 4.083) 5.453 3.168 ( 0.559 -0.099 -0.094) 0.576 3.211 ( 0.548 -3.683 -1.794) 4.133 3.300 ( -0.364 0.283 2.549) 2.591 3.362 ( -0.910 -2.592 1.874) 3.326 3.430 ( 0.446 0.472 -0.456) 0.793 3.569 ( -1.294 -3.064 1.499) 3.648 3.625 ( 1.439 -0.219 -0.720) 1.624 3.644 ( -0.068 0.789 0.152) 0.807 3.759 ( -0.933 0.837 -1.431) 1.902 3.798 ( -0.943 -0.745 -0.786) 1.436 3.843 ( 3.249 1.511 -3.299) 4.871 4.099 ( 3.098 2.113 -0.774) 3.829 4.152 ( 3.753 1.712 0.231) 4.132 4.233 ( -2.868 0.499 -2.344) 3.737 4.264 ( -3.135 0.058 -1.461) 3.459 4.351 ( -1.239 1.243 1.762) 2.487 4.381 ( 0.274 1.955 -1.441) 2.444 4.454 ( 1.309 -0.070 1.019) 1.660 4.528 ( -2.773 -0.900 2.533) 3.862 4.556 ( 0.378 -1.531 -0.165) 1.586 4.569 ( -0.127 0.239 0.142) 0.306 4.807 ( 0.083 2.132 -0.401) 2.171 4.833 ( -0.122 0.609 0.225) 0.661 4.925 ( 0.554 2.063 0.852) 2.299 4.973 ( 1.441 -1.344 -0.395) 2.009 4.982 ( -1.710 0.165 -2.336) 2.900 5.033 ( 0.886 -0.341 -2.818) 2.973 5.061 ( 1.952 -1.229 -0.146) 2.312 5.136 ( 0.854 -0.413 -0.967) 1.354 5.171 ( -3.080 -2.241 0.479) 3.840 5.179 ( 3.763 1.516 -2.103) 4.569 5.312 ( 1.048 1.635 -0.482) 2.001 5.346 ( -0.970 0.716 -0.184) 1.219 5.697 ( 1.454 -0.107 -1.154) 1.859 5.754 ( -2.421 -0.638 3.466) 4.276 5.848 ( 1.368 -2.714 -2.089) 3.688 6.018 ( -0.592 -1.117 2.474) 2.778 6.066 ( 0.306 -0.292 2.230) 2.270 6.135 ( 0.247 -1.983 -0.473) 2.054 6.177 ( -3.010 1.148 -1.534) 3.567 6.345 ( -0.097 0.207 1.156) 1.178 8.825 ( 0.284 -0.674 0.041) 0.732 8.864 ( -1.023 -0.294 -0.023) 1.064 8.892 ( 0.090 -1.277 0.940) 1.588 8.916 ( -0.633 -0.637 2.697) 2.842 8.964 ( -1.967 -0.653 0.158) 2.079 9.053 ( 1.202 -0.037 -0.510) 1.307 9.158 ( -0.038 0.236 -0.445) 0.505 9.191 ( 0.127 -0.207 -0.560) 0.610 9.355 ( 0.662 1.152 -1.919) 2.335 9.390 ( 0.314 -0.104 -1.770) 1.801 9.428 ( -2.163 -2.485 1.508) 3.624 9.477 ( 2.245 -3.009 -0.065) 3.755 9.557 ( 0.100 0.875 0.833) 1.212 9.801 ( 1.203 2.266 -1.699) 3.077 10.012 ( -1.437 -0.019 1.247) 1.902 10.044 ( -0.182 -0.108 0.034) 0.214 10.099 ( -0.237 0.642 0.485) 0.839 10.134 ( 0.970 -0.103 0.365) 1.041 10.246 ( 1.533 3.181 -1.721) 3.928 10.292 ( 1.230 -0.375 0.161) 1.296 10.351 ( -1.239 1.629 0.939) 2.252 10.410 ( 0.513 1.453 -0.864) 1.767 10.607 ( 0.547 1.687 0.100) 1.777 10.682 ( 1.533 0.559 -0.371) 1.674 10.854 ( -2.442 1.080 -1.209) 2.931 10.953 ( 0.005 -2.629 0.181) 2.635 11.017 ( 3.312 1.698 -3.661) 5.221 11.255 ( -0.350 3.798 -7.497) 8.411 11.469 ( 1.785 0.948 -0.184) 2.029 11.603 ( -1.866 1.117 -0.657) 2.272 11.750 ( 0.166 -1.494 1.947) 2.460 11.800 ( -2.042 -3.661 6.121) 7.419 ======================= Grid point 34 (18/48) ======================= q-point: (-0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -9.375 14.459 6.694) 18.487 0.700 ( -4.030 12.213 14.580) 19.442 0.893 ( -8.307 4.465 0.652) 9.453 1.090 ( 4.667 4.374 4.152) 7.626 1.184 ( 5.362 5.132 4.173) 8.514 1.217 ( 1.760 7.804 8.557) 11.715 1.313 ( 0.330 -4.335 0.709) 4.405 1.360 ( -2.854 2.298 0.167) 3.667 1.438 ( 1.494 1.920 -1.729) 2.984 1.540 ( -0.835 1.864 -0.758) 2.179 1.589 ( -0.727 0.077 0.121) 0.741 1.662 ( -0.361 4.027 1.172) 4.210 1.715 ( 0.919 0.915 1.353) 1.874 1.736 ( -0.503 0.357 -1.429) 1.557 1.851 ( 0.185 -2.726 -1.329) 3.039 1.960 ( 0.258 1.292 -4.198) 4.400 2.001 ( -0.518 -2.720 -0.170) 2.774 2.086 ( 1.553 -3.253 1.793) 4.026 2.137 ( -2.010 0.091 -0.528) 2.080 2.199 ( -1.230 0.392 -2.722) 3.013 2.298 ( 2.717 -2.465 -5.276) 6.425 2.346 ( 0.586 1.566 0.072) 1.674 2.382 ( -0.520 -1.303 -3.943) 4.186 2.409 ( 0.085 -2.465 0.836) 2.604 2.488 ( -1.226 -3.527 1.592) 4.059 2.585 ( -0.082 -2.674 1.204) 2.934 2.618 ( -0.053 0.485 -2.441) 2.489 2.680 ( -2.203 1.192 -3.250) 4.104 2.724 ( 2.390 0.327 -0.713) 2.516 2.766 ( 4.135 -0.786 2.440) 4.865 2.795 ( 0.836 1.328 -2.750) 3.166 2.867 ( 0.908 1.032 2.095) 2.506 2.955 ( -1.936 1.105 1.343) 2.603 3.033 ( -1.137 2.243 2.491) 3.540 3.096 ( -2.924 2.662 2.264) 4.557 3.166 ( 0.844 1.603 -0.553) 1.894 3.263 ( 1.710 -2.804 -4.811) 5.825 3.337 ( 0.489 -2.842 5.871) 6.541 3.380 ( -2.116 -2.442 0.283) 3.244 3.429 ( -1.029 -1.267 0.127) 1.637 3.607 ( -1.010 -3.143 1.345) 3.565 3.632 ( -1.026 -0.049 0.512) 1.148 3.669 ( 3.304 -0.923 -0.917) 3.551 3.715 ( -1.230 1.276 -2.105) 2.752 3.801 ( -0.793 -1.523 -2.050) 2.674 3.843 ( 1.519 1.302 -1.528) 2.517 4.115 ( -5.710 4.186 -0.581) 7.104 4.126 ( 3.607 1.072 0.091) 3.764 4.166 ( 0.968 2.315 -0.942) 2.680 4.208 ( 2.086 2.592 -2.291) 4.039 4.348 ( -0.174 0.170 1.957) 1.973 4.372 ( 0.047 -0.723 -1.509) 1.674 4.451 ( -0.786 0.659 1.445) 1.772 4.542 ( 0.913 0.414 0.194) 1.021 4.566 ( 0.133 0.184 1.339) 1.358 4.583 ( -0.003 -2.412 -0.145) 2.417 4.791 ( 0.796 0.936 0.481) 1.320 4.811 ( -0.412 1.027 -1.949) 2.241 4.898 ( -1.448 -0.109 0.776) 1.647 4.978 ( 0.857 -0.206 -2.441) 2.595 4.987 ( 0.844 1.505 -2.644) 3.157 5.044 ( 0.161 -0.448 0.125) 0.492 5.090 ( 3.047 0.169 -0.449) 3.085 5.125 ( -4.216 -0.956 0.973) 4.431 5.193 ( 1.117 -0.125 -1.636) 1.985 5.202 ( 2.505 -1.715 -0.404) 3.062 5.295 ( 0.866 2.412 -0.415) 2.596 5.323 ( -0.193 0.613 -0.767) 1.001 5.715 ( 1.679 0.167 -0.616) 1.796 5.744 ( -2.603 -1.168 2.658) 3.900 5.868 ( -2.315 -0.741 -2.205) 3.282 6.017 ( -3.116 -0.951 2.269) 3.970 6.085 ( -0.657 0.777 0.098) 1.022 6.123 ( 0.009 -0.592 -0.651) 0.880 6.199 ( 3.242 -3.136 1.497) 4.752 6.370 ( 1.295 -1.636 2.020) 2.904 8.843 ( 0.994 -0.546 0.774) 1.373 8.862 ( -0.292 -0.399 -0.114) 0.507 8.913 ( -0.342 -0.341 2.411) 2.459 8.934 ( -0.944 -1.855 -0.727) 2.205 8.952 ( 0.690 -0.062 -0.393) 0.797 9.069 ( 0.571 -0.912 -0.398) 1.147 9.158 ( 0.227 -0.225 -0.392) 0.506 9.190 ( 0.187 0.256 -0.550) 0.635 9.346 ( 1.120 1.002 -1.569) 2.173 9.389 ( 0.141 -0.251 -1.747) 1.770 9.428 ( -4.106 -1.929 2.714) 5.286 9.517 ( -0.661 1.999 2.256) 3.086 9.565 ( 0.780 -2.640 -0.779) 2.861 9.752 ( -1.181 2.696 -3.529) 4.595 10.003 ( -0.336 -0.247 1.108) 1.184 10.045 ( 0.315 0.069 0.359) 0.482 10.089 ( -0.100 0.655 0.573) 0.877 10.140 ( -0.666 0.124 -0.025) 0.678 10.191 ( 0.675 4.374 -0.273) 4.434 10.301 ( -0.270 0.463 0.320) 0.624 10.343 ( 3.234 1.488 -2.129) 4.148 10.416 ( 1.111 -1.137 -0.698) 1.736 10.540 ( -3.902 4.486 -1.012) 6.031 10.643 ( -2.732 2.663 -0.562) 3.856 10.855 ( 4.136 -0.710 0.081) 4.197 10.975 ( 1.426 0.700 -3.453) 3.801 11.025 ( -0.565 -0.923 1.406) 1.774 11.198 ( 5.327 3.846 -7.394) 9.892 11.449 ( -1.463 1.929 0.579) 2.489 11.593 ( 2.306 0.189 -1.566) 2.794 11.785 ( 0.248 -1.655 1.941) 2.563 11.846 ( -4.755 -5.432 7.013) 10.065 ======================= Grid point 37 (19/48) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 10.732 0.000 -4.451) 11.619 0.989 ( 7.037 0.000 -4.204) 8.197 1.119 ( -11.762 -0.000 11.294) 16.306 1.151 ( 1.251 0.000 1.434) 1.903 1.190 ( 2.165 0.000 -3.223) 3.883 1.294 ( 1.084 0.000 1.385) 1.759 1.335 ( 4.163 0.000 5.260) 6.708 1.399 ( 1.673 0.000 1.187) 2.051 1.563 ( 5.252 0.000 1.041) 5.354 1.609 ( 0.534 0.000 4.865) 4.894 1.666 ( 2.499 0.000 3.077) 3.963 1.688 ( 4.683 0.000 -1.983) 5.086 1.718 ( -7.801 -0.000 0.233) 7.805 1.719 ( 5.647 0.000 0.684) 5.689 1.843 ( -7.329 -0.000 -4.591) 8.648 1.972 ( 3.863 0.000 -4.132) 5.656 2.002 ( 1.875 0.000 -0.708) 2.004 2.041 ( 2.272 0.000 -2.820) 3.622 2.086 ( -1.570 -0.000 -1.996) 2.539 2.241 ( 0.223 0.000 8.476) 8.479 2.315 ( 4.984 0.000 4.730) 6.871 2.316 ( -1.671 -0.000 3.826) 4.175 2.349 ( -1.527 -0.000 3.466) 3.788 2.436 ( -3.793 -0.000 1.279) 4.003 2.455 ( -2.311 -0.000 -4.744) 5.277 2.503 ( 0.773 0.000 -1.522) 1.707 2.543 ( -4.315 -0.000 3.787) 5.741 2.635 ( 3.071 0.000 -6.306) 7.014 2.741 ( 1.547 0.000 -2.541) 2.975 2.743 ( -2.093 -0.000 -1.975) 2.877 2.842 ( 1.284 0.000 -2.308) 2.641 2.857 ( 0.412 0.000 -1.164) 1.234 2.860 ( -4.130 -0.000 -0.415) 4.151 3.096 ( 3.197 0.000 -0.030) 3.197 3.123 ( -1.746 -0.000 1.202) 2.119 3.149 ( -0.121 -0.000 -2.978) 2.980 3.220 ( -0.858 -0.000 6.355) 6.413 3.303 ( -0.219 -0.000 1.110) 1.132 3.336 ( -1.645 -0.000 1.015) 1.933 3.447 ( 0.084 0.000 0.583) 0.589 3.528 ( -2.564 -0.000 2.703) 3.726 3.622 ( 0.739 0.000 -1.285) 1.482 3.669 ( -0.528 -0.000 -0.485) 0.717 3.748 ( 0.229 0.000 -1.224) 1.246 3.813 ( -1.430 -0.000 -0.084) 1.432 3.859 ( 4.075 0.000 -4.186) 5.842 4.150 ( 0.498 0.000 -2.234) 2.289 4.175 ( 0.336 0.000 -0.903) 0.963 4.216 ( 2.108 0.000 -1.554) 2.619 4.243 ( 1.696 0.000 0.672) 1.824 4.391 ( -0.686 -0.000 2.750) 2.834 4.424 ( -0.235 -0.000 -0.533) 0.583 4.427 ( 1.038 0.000 0.310) 1.083 4.521 ( 1.713 0.000 0.405) 1.760 4.527 ( -3.145 -0.000 1.624) 3.539 4.578 ( -2.013 -0.000 -0.000) 2.013 4.837 ( -1.652 -0.000 0.510) 1.729 4.881 ( 1.078 0.000 -0.830) 1.360 4.918 ( 1.331 0.000 -0.931) 1.624 4.946 ( -0.393 -0.000 0.422) 0.577 4.983 ( -1.321 -0.000 1.464) 1.971 5.023 ( -0.463 -0.000 0.005) 0.463 5.072 ( 0.441 0.000 -2.252) 2.295 5.112 ( -3.717 -0.000 0.695) 3.782 5.147 ( 2.710 0.000 -3.384) 4.336 5.199 ( 4.236 0.000 -3.418) 5.443 5.332 ( 2.164 0.000 -0.474) 2.216 5.354 ( -1.708 -0.000 -0.315) 1.737 5.694 ( 1.330 0.000 -1.368) 1.908 5.749 ( -1.349 -0.000 -1.449) 1.980 5.804 ( 1.653 0.000 3.043) 3.463 6.012 ( -2.559 -0.000 2.071) 3.291 6.054 ( 0.852 0.000 1.485) 1.712 6.096 ( -1.093 -0.000 0.518) 1.209 6.196 ( -1.650 -0.000 -0.974) 1.916 6.350 ( -1.471 -0.000 -0.136) 1.477 8.807 ( 0.739 0.000 -0.153) 0.755 8.855 ( -1.629 -0.000 0.625) 1.744 8.873 ( -1.622 -0.000 2.027) 2.596 8.919 ( -1.027 -0.000 2.631) 2.824 8.944 ( -1.921 -0.000 0.201) 1.932 9.050 ( 0.658 0.000 -0.011) 0.658 9.166 ( -0.178 -0.000 -0.362) 0.404 9.183 ( 0.376 0.000 -0.617) 0.723 9.380 ( -0.495 -0.000 -1.666) 1.738 9.390 ( 0.188 0.000 -2.975) 2.981 9.404 ( 0.540 0.000 0.399) 0.671 9.411 ( 2.531 0.000 -1.094) 2.757 9.580 ( 1.116 0.000 1.606) 1.956 9.834 ( 1.050 0.000 -1.113) 1.530 10.011 ( -1.672 -0.000 1.280) 2.106 10.041 ( 0.343 0.000 -0.257) 0.429 10.109 ( 0.172 0.000 0.607) 0.631 10.130 ( 0.442 0.000 0.111) 0.455 10.274 ( 4.559 0.000 -0.816) 4.632 10.287 ( -0.389 -0.000 0.553) 0.676 10.374 ( -0.762 -0.000 -0.191) 0.785 10.504 ( -1.004 -0.000 2.226) 2.442 10.594 ( 3.186 0.000 -1.990) 3.757 10.706 ( 2.475 0.000 -1.240) 2.768 10.863 ( 0.110 0.000 0.443) 0.457 10.899 ( -2.625 -0.000 1.258) 2.911 11.046 ( 4.103 0.000 -4.875) 6.372 11.313 ( -1.284 -0.000 -8.722) 8.816 11.486 ( 2.998 0.000 -0.456) 3.033 11.619 ( -2.746 -0.000 0.051) 2.747 11.726 ( -3.389 -0.000 2.742) 4.359 11.748 ( 0.891 0.000 4.640) 4.724 ======================= Grid point 38 (20/48) ======================= q-point: (-0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -8.516 8.953 0.047) 12.357 0.991 ( -2.904 4.662 6.296) 8.355 1.064 ( 1.554 1.441 -3.974) 4.504 1.185 ( -5.874 -5.031 4.169) 8.786 1.202 ( 1.499 4.356 -2.137) 5.078 1.258 ( 2.562 1.907 -2.496) 4.053 1.399 ( -2.086 5.450 1.966) 6.158 1.408 ( 2.533 2.213 3.910) 5.157 1.546 ( -3.924 -1.323 1.416) 4.376 1.603 ( 1.973 3.066 3.944) 5.371 1.651 ( -3.487 1.747 -1.585) 4.210 1.694 ( 0.978 1.697 0.662) 2.067 1.739 ( 3.128 -1.359 0.646) 3.471 1.794 ( 2.118 -1.646 0.411) 2.714 1.828 ( 5.670 -3.835 -1.529) 7.013 1.964 ( 1.492 9.731 2.358) 10.124 2.002 ( 1.947 1.552 0.921) 2.655 2.043 ( 0.805 1.082 -4.820) 5.005 2.091 ( 1.495 -3.046 -0.512) 3.432 2.218 ( -3.567 0.492 -0.962) 3.727 2.248 ( -3.297 1.792 3.191) 4.926 2.333 ( -0.159 -0.433 1.996) 2.048 2.369 ( -9.807 -1.430 2.542) 10.231 2.412 ( 1.515 1.246 0.133) 1.966 2.433 ( 2.233 -1.338 0.799) 2.723 2.508 ( 0.577 -1.415 0.360) 1.570 2.606 ( 0.782 -5.627 -2.289) 6.125 2.659 ( 0.581 -1.711 -3.873) 4.274 2.704 ( -2.134 0.294 -3.492) 4.103 2.752 ( 1.423 -2.230 -3.216) 4.165 2.796 ( 3.368 3.154 1.154) 4.757 2.864 ( 0.431 -0.804 2.781) 2.926 2.923 ( 1.684 -3.055 -1.668) 3.867 3.079 ( 0.011 2.764 1.052) 2.958 3.148 ( -0.468 -2.856 0.977) 3.055 3.175 ( 1.305 -1.913 -1.414) 2.713 3.200 ( -1.816 2.755 5.119) 6.090 3.308 ( 0.049 -0.241 0.132) 0.279 3.333 ( -0.081 -0.871 2.255) 2.419 3.438 ( -0.650 0.943 0.431) 1.223 3.522 ( -1.081 -1.843 1.622) 2.683 3.622 ( -0.381 -0.614 -1.119) 1.332 3.666 ( 1.406 0.309 -1.636) 2.179 3.756 ( 0.542 0.184 -0.769) 0.958 3.779 ( -1.794 1.108 -0.208) 2.119 3.880 ( 1.746 0.402 -3.734) 4.141 4.132 ( -0.087 1.068 -1.785) 2.082 4.199 ( 1.478 -2.008 -0.940) 2.665 4.219 ( -1.194 1.317 -1.783) 2.517 4.244 ( 0.510 1.696 0.310) 1.798 4.375 ( -0.570 1.574 2.199) 2.764 4.403 ( 0.275 1.593 -1.097) 1.954 4.457 ( 0.062 -1.693 1.361) 2.173 4.483 ( -3.228 0.782 1.267) 3.555 4.538 ( -0.418 -1.494 -0.556) 1.648 4.572 ( 0.732 -0.428 0.153) 0.862 4.819 ( -0.631 0.065 -0.493) 0.803 4.862 ( 0.635 3.100 0.596) 3.220 4.936 ( -1.863 1.498 -0.167) 2.397 4.950 ( -1.158 -1.023 -1.409) 2.091 4.969 ( 0.492 -1.971 0.029) 2.032 4.996 ( -0.995 -1.468 -1.133) 2.104 5.097 ( -0.104 -1.276 1.585) 2.037 5.115 ( 2.511 -0.515 -0.087) 2.564 5.154 ( 1.799 1.294 -3.479) 4.125 5.227 ( 2.268 0.585 -3.692) 4.372 5.328 ( -0.612 0.385 -0.316) 0.789 5.343 ( -0.850 0.236 0.097) 0.887 5.715 ( 1.582 -0.012 -1.125) 1.941 5.722 ( -1.115 -0.324 -1.369) 1.795 5.842 ( 1.209 -0.732 2.607) 2.966 5.988 ( -2.621 -0.703 1.416) 3.061 6.080 ( 0.685 -0.250 3.020) 3.107 6.098 ( -0.264 -1.431 -0.603) 1.575 6.178 ( 0.707 0.440 -0.595) 1.024 6.337 ( -0.729 -0.582 -0.208) 0.956 8.828 ( 1.535 -0.613 0.189) 1.663 8.845 ( -0.780 -0.486 0.557) 1.075 8.870 ( -1.107 -1.420 1.891) 2.611 8.910 ( -1.033 0.220 2.072) 2.325 8.935 ( -0.892 -1.051 -0.002) 1.378 9.055 ( -0.020 -0.164 -0.362) 0.398 9.161 ( 0.110 0.313 -0.346) 0.479 9.189 ( 0.436 -0.246 -0.469) 0.686 9.371 ( 0.334 0.156 -1.343) 1.392 9.379 ( -0.280 -0.266 -2.523) 2.553 9.405 ( 0.595 0.675 0.091) 0.905 9.466 ( 2.520 -2.614 -0.242) 3.639 9.598 ( 1.644 1.672 2.983) 3.794 9.815 ( -1.618 1.341 -2.620) 3.358 9.996 ( -1.190 -0.217 0.794) 1.447 10.046 ( 0.367 -0.018 0.139) 0.393 10.108 ( -0.105 0.532 0.610) 0.816 10.136 ( -0.002 -0.269 0.082) 0.281 10.280 ( -0.294 0.290 0.055) 0.417 10.326 ( 3.306 0.988 0.521) 3.490 10.360 ( -0.326 0.689 0.268) 0.808 10.446 ( -2.023 3.833 0.418) 4.354 10.612 ( -0.558 0.389 -2.364) 2.460 10.704 ( -0.540 1.499 -0.458) 1.658 10.864 ( 0.841 0.296 0.401) 0.978 10.914 ( 0.634 -2.698 1.487) 3.145 11.064 ( 2.267 1.646 -4.855) 5.605 11.255 ( -0.189 0.949 -7.937) 7.996 11.504 ( 0.392 1.717 0.452) 1.818 11.593 ( -0.190 -0.302 -1.407) 1.451 11.715 ( -1.873 -2.050 2.542) 3.764 11.783 ( 0.709 -0.680 4.892) 4.989 ======================= Grid point 39 (21/48) ======================= q-point: (-0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -9.922 3.800 -1.094) 10.681 0.857 ( -12.448 13.525 3.788) 18.767 0.919 ( 0.294 12.424 10.030) 15.970 1.082 ( -2.163 -1.729 -3.600) 4.542 1.205 ( -6.125 -5.539 4.011) 9.180 1.277 ( 2.620 2.495 -2.043) 4.155 1.314 ( -3.567 -0.107 -0.130) 3.571 1.413 ( -0.169 0.701 4.166) 4.228 1.541 ( -2.318 5.692 -1.308) 6.284 1.563 ( 2.120 1.026 3.321) 4.071 1.610 ( 3.052 3.051 2.676) 5.078 1.692 ( 0.923 0.191 -0.905) 1.307 1.772 ( 0.509 3.328 1.125) 3.550 1.803 ( 0.591 4.388 0.501) 4.456 1.884 ( 6.006 3.339 3.368) 7.653 1.989 ( 5.658 -2.865 -0.527) 6.364 1.991 ( 1.622 1.886 -2.165) 3.297 2.051 ( 0.619 -2.806 0.583) 2.932 2.112 ( -3.976 0.325 -0.063) 3.990 2.165 ( -1.262 -1.076 -2.471) 2.976 2.206 ( -5.451 -2.482 -2.005) 6.316 2.314 ( -1.095 -2.014 3.357) 4.065 2.387 ( 2.120 -2.936 -1.151) 3.800 2.402 ( -1.262 1.112 2.094) 2.686 2.458 ( 0.387 2.188 0.032) 2.222 2.509 ( -3.284 -3.998 -1.227) 5.318 2.607 ( -0.554 0.596 -4.307) 4.383 2.666 ( -0.798 0.661 -4.933) 5.040 2.689 ( -1.110 -3.265 0.025) 3.448 2.789 ( 1.844 0.056 -2.709) 3.277 2.842 ( 1.756 -1.294 0.696) 2.290 2.923 ( 3.662 -0.835 1.157) 3.931 2.952 ( 2.085 -0.325 0.548) 2.180 3.054 ( 0.152 1.481 1.557) 2.154 3.124 ( -2.365 3.333 3.251) 5.222 3.188 ( 0.338 0.337 0.821) 0.950 3.216 ( 0.862 -3.258 -2.554) 4.228 3.315 ( -1.034 -0.525 1.714) 2.069 3.361 ( 1.294 -0.822 2.109) 2.607 3.416 ( -1.518 0.714 1.134) 2.025 3.560 ( 0.423 -2.817 1.273) 3.120 3.620 ( -0.864 -0.278 0.319) 0.962 3.682 ( 0.506 -1.115 -1.851) 2.220 3.720 ( -0.417 2.230 -0.500) 2.323 3.779 ( 1.391 -0.492 -1.772) 2.306 3.864 ( -0.528 1.202 -2.287) 2.637 4.100 ( -1.860 0.772 -1.937) 2.794 4.122 ( -3.912 3.553 0.153) 5.287 4.255 ( 5.285 0.258 -2.905) 6.037 4.264 ( 3.260 -0.082 -0.019) 3.262 4.357 ( -0.728 1.067 0.772) 1.504 4.385 ( 0.668 1.647 -0.373) 1.816 4.434 ( -2.194 0.245 0.639) 2.298 4.505 ( -0.699 -4.178 2.336) 4.838 4.559 ( 0.119 -1.326 -0.179) 1.343 4.587 ( 0.821 -0.167 -0.121) 0.846 4.810 ( -0.024 0.198 -0.933) 0.954 4.830 ( 0.191 2.265 0.928) 2.455 4.878 ( -2.172 1.057 -0.093) 2.417 4.951 ( -0.762 -1.356 -1.227) 1.981 4.998 ( -0.703 -1.560 -1.494) 2.271 5.022 ( 1.270 -1.666 -0.987) 2.315 5.093 ( -0.317 1.668 -0.387) 1.741 5.139 ( 1.033 0.756 -1.434) 1.922 5.171 ( 1.993 -1.374 0.309) 2.440 5.208 ( -1.045 0.697 -3.308) 3.538 5.317 ( -1.504 0.841 0.251) 1.741 5.332 ( 0.975 -0.368 0.420) 1.124 5.700 ( -1.407 -0.541 -0.562) 1.609 5.747 ( 2.038 0.033 0.335) 2.066 5.855 ( -0.357 1.340 1.363) 1.945 5.977 ( -1.601 -1.267 1.816) 2.733 6.092 ( -0.197 0.335 0.317) 0.501 6.108 ( 0.146 -1.038 -0.529) 1.174 6.214 ( 2.659 -1.029 1.438) 3.193 6.349 ( -0.399 -2.233 -0.515) 2.326 8.849 ( -0.311 -0.663 0.191) 0.757 8.856 ( 1.462 -0.196 0.676) 1.623 8.889 ( -1.175 -1.934 -0.162) 2.269 8.910 ( -0.617 -0.539 2.828) 2.945 8.953 ( 1.364 -1.670 -0.178) 2.163 9.050 ( -1.089 -0.332 -0.404) 1.208 9.159 ( 0.273 0.154 -0.374) 0.488 9.194 ( 0.302 0.034 -0.435) 0.531 9.366 ( 0.031 0.009 -1.938) 1.938 9.383 ( 1.009 -0.394 -0.844) 1.373 9.399 ( -0.034 0.821 0.161) 0.837 9.533 ( 1.685 -2.272 0.485) 2.870 9.581 ( -0.038 4.198 2.922) 5.115 9.749 ( -1.969 1.742 -3.250) 4.180 9.999 ( 0.123 -0.852 0.776) 1.159 10.051 ( 0.223 0.028 0.283) 0.362 10.100 ( 0.071 0.609 0.563) 0.833 10.132 ( -0.922 0.258 -0.061) 0.959 10.256 ( 0.039 4.042 -0.225) 4.048 10.299 ( -1.416 0.735 0.139) 1.601 10.385 ( 1.957 -0.376 1.384) 2.426 10.403 ( -1.193 -0.422 0.221) 1.285 10.552 ( -1.124 3.610 -3.948) 5.466 10.661 ( -1.251 2.291 0.851) 2.746 10.898 ( 3.381 -0.836 -1.161) 3.671 10.964 ( 0.474 -2.141 0.713) 2.306 11.019 ( -1.474 2.304 -3.609) 4.528 11.250 ( 3.745 -0.698 -7.803) 8.684 11.457 ( -1.888 2.272 0.355) 2.976 11.617 ( 2.203 -1.029 -1.366) 2.789 11.737 ( -2.149 -2.659 3.406) 4.826 11.810 ( -0.087 0.276 4.963) 4.972 ======================= Grid point 43 (22/48) ======================= q-point: (-0.40 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -11.099 -0.000 -1.187) 11.162 0.878 ( -12.588 -0.000 -7.590) 14.700 1.075 ( -1.834 -0.000 -0.408) 1.879 1.087 ( -6.170 -0.000 3.893) 7.296 1.264 ( 0.139 0.000 6.763) 6.764 1.299 ( 5.401 0.000 -3.568) 6.473 1.412 ( -5.582 -0.000 2.043) 5.944 1.462 ( -7.510 -0.000 2.808) 8.018 1.502 ( -3.076 -0.000 0.316) 3.093 1.521 ( 0.855 0.000 2.300) 2.454 1.689 ( 2.167 0.000 -0.458) 2.215 1.702 ( -1.086 -0.000 0.704) 1.294 1.760 ( 0.653 0.000 5.974) 6.010 1.810 ( 3.863 0.000 0.455) 3.889 1.907 ( 1.464 0.000 -0.877) 1.706 2.046 ( 1.038 0.000 -2.463) 2.673 2.051 ( 3.582 0.000 -2.377) 4.299 2.064 ( 1.830 0.000 -0.529) 1.905 2.076 ( -14.952 -0.000 1.553) 15.033 2.127 ( 4.127 0.000 -0.474) 4.154 2.234 ( -0.938 -0.000 2.809) 2.961 2.267 ( -1.282 -0.000 4.714) 4.885 2.370 ( 1.085 0.000 3.443) 3.609 2.432 ( 0.205 0.000 0.615) 0.648 2.432 ( 2.242 0.000 -1.289) 2.586 2.524 ( -0.498 -0.000 0.305) 0.584 2.554 ( 0.775 0.000 -0.810) 1.121 2.645 ( 0.752 0.000 -7.882) 7.917 2.688 ( 0.619 0.000 -5.122) 5.159 2.727 ( 0.424 0.000 -0.857) 0.956 2.834 ( -2.110 -0.000 0.350) 2.139 2.897 ( 1.274 0.000 0.357) 1.323 2.931 ( 6.119 0.000 0.385) 6.131 3.109 ( -1.961 -0.000 2.183) 2.934 3.126 ( 1.048 0.000 0.879) 1.368 3.166 ( 0.904 0.000 -2.552) 2.707 3.227 ( -0.341 -0.000 5.583) 5.593 3.304 ( 0.582 0.000 -0.431) 0.724 3.346 ( 1.071 0.000 2.390) 2.619 3.438 ( -1.086 -0.000 1.257) 1.661 3.511 ( 0.243 0.000 2.428) 2.440 3.609 ( 0.428 0.000 -1.605) 1.661 3.663 ( -0.344 -0.000 -2.293) 2.318 3.772 ( 1.707 0.000 -0.758) 1.867 3.779 ( 0.100 0.000 0.147) 0.178 3.871 ( -1.300 -0.000 -3.153) 3.410 4.151 ( -1.246 -0.000 -2.452) 2.750 4.158 ( 1.039 0.000 -1.405) 1.748 4.231 ( -0.078 -0.000 -1.603) 1.605 4.242 ( -1.668 -0.000 -0.052) 1.668 4.368 ( -2.504 -0.000 2.081) 3.256 4.421 ( 0.551 0.000 0.339) 0.647 4.438 ( -1.400 -0.000 2.365) 2.749 4.478 ( -0.301 -0.000 -0.490) 0.575 4.497 ( -2.092 -0.000 -0.515) 2.155 4.586 ( 1.670 0.000 -0.563) 1.763 4.810 ( -0.352 -0.000 -0.304) 0.464 4.897 ( -3.256 -0.000 -1.116) 3.441 4.901 ( -1.906 -0.000 -1.236) 2.271 4.931 ( 0.748 0.000 -0.695) 1.021 4.945 ( 0.356 0.000 0.401) 0.536 4.990 ( 0.664 0.000 1.044) 1.237 5.105 ( 2.980 0.000 0.217) 2.988 5.150 ( 2.132 0.000 -0.641) 2.226 5.179 ( 1.555 0.000 -2.867) 3.262 5.225 ( -0.891 -0.000 -3.826) 3.928 5.315 ( -0.663 -0.000 -0.732) 0.988 5.324 ( -2.183 -0.000 0.779) 2.318 5.695 ( -0.503 -0.000 -2.986) 3.028 5.746 ( 2.377 0.000 0.334) 2.400 5.870 ( 1.320 0.000 5.023) 5.193 5.959 ( -1.474 -0.000 1.331) 1.986 6.081 ( -0.552 -0.000 0.724) 0.910 6.098 ( 0.684 0.000 0.267) 0.734 6.204 ( 3.043 0.000 0.787) 3.143 6.316 ( -1.064 -0.000 -2.059) 2.318 8.834 ( -0.053 -0.000 0.646) 0.648 8.851 ( -0.961 -0.000 1.317) 1.631 8.856 ( 2.272 0.000 0.821) 2.416 8.911 ( -0.887 -0.000 2.626) 2.772 8.915 ( 0.113 0.000 -0.947) 0.953 9.048 ( -0.745 -0.000 -0.042) 0.746 9.165 ( 0.275 0.000 -0.438) 0.518 9.192 ( 0.380 0.000 -0.294) 0.480 9.361 ( -0.609 -0.000 -2.529) 2.602 9.369 ( 0.511 0.000 -0.974) 1.099 9.430 ( 1.125 0.000 0.050) 1.126 9.482 ( 3.377 0.000 -0.288) 3.390 9.653 ( 2.297 0.000 4.701) 5.233 9.781 ( -3.112 -0.000 -3.255) 4.503 9.984 ( -0.549 -0.000 0.306) 0.629 10.050 ( 0.197 0.000 0.293) 0.353 10.110 ( -0.570 -0.000 0.654) 0.868 10.134 ( -0.080 -0.000 0.152) 0.172 10.275 ( -0.539 -0.000 0.420) 0.683 10.359 ( -0.230 -0.000 -0.696) 0.733 10.372 ( -0.043 -0.000 3.091) 3.091 10.437 ( -2.620 -0.000 0.103) 2.622 10.595 ( -1.016 -0.000 -4.826) 4.932 10.697 ( -2.225 -0.000 0.255) 2.239 10.853 ( -0.088 -0.000 -0.302) 0.314 10.943 ( 3.357 0.000 2.519) 4.197 11.064 ( -1.515 -0.000 -5.401) 5.609 11.234 ( 1.025 0.000 -7.782) 7.849 11.525 ( -0.939 -0.000 1.151) 1.486 11.565 ( -1.006 -0.000 -2.737) 2.916 11.702 ( 0.858 0.000 1.957) 2.136 11.818 ( 2.080 0.000 5.190) 5.592 ======================= Grid point 44 (23/48) ======================= q-point: (-0.20 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -13.882 5.621 -2.622) 15.205 0.836 ( -10.542 -10.679 -4.169) 15.574 0.957 ( -6.388 9.813 2.349) 11.942 1.033 ( -3.309 -0.387 7.009) 7.761 1.198 ( -1.414 7.625 4.353) 8.893 1.291 ( -2.675 2.240 0.037) 3.489 1.352 ( 3.701 2.077 -0.352) 4.259 1.414 ( -6.381 0.555 4.330) 7.731 1.506 ( -4.082 -1.627 2.206) 4.917 1.534 ( 0.088 -3.303 0.078) 3.305 1.658 ( -1.478 1.105 0.205) 1.857 1.708 ( -14.408 -0.363 2.877) 14.697 1.721 ( 0.077 -0.574 1.027) 1.179 1.840 ( 1.887 -0.893 -0.157) 2.093 1.880 ( -3.173 -5.250 0.281) 6.141 1.992 ( 0.534 1.799 3.104) 3.627 2.052 ( 2.357 3.269 -2.255) 4.618 2.082 ( 0.849 -0.104 -1.435) 1.670 2.112 ( 7.004 0.455 -1.691) 7.220 2.175 ( 2.762 0.772 -0.609) 2.932 2.233 ( 2.715 2.915 4.637) 6.113 2.305 ( -0.889 -3.514 1.695) 4.001 2.373 ( 2.358 3.342 1.665) 4.416 2.422 ( -0.537 1.600 -1.275) 2.115 2.433 ( -0.695 0.714 0.194) 1.015 2.519 ( 3.302 1.014 0.016) 3.455 2.578 ( 0.195 -2.467 -3.920) 4.636 2.628 ( -0.118 0.071 -6.537) 6.538 2.664 ( -0.351 -0.305 -1.003) 1.106 2.774 ( 1.299 -3.110 -2.669) 4.299 2.817 ( -1.927 -1.685 1.376) 2.906 2.893 ( -1.966 -1.770 -2.673) 3.761 3.015 ( 4.246 -0.062 0.350) 4.261 3.081 ( -1.353 0.266 1.917) 2.361 3.134 ( -1.003 1.399 1.492) 2.278 3.165 ( -0.877 -1.394 -0.551) 1.736 3.238 ( 2.398 1.813 0.642) 3.073 3.320 ( 0.674 0.549 2.698) 2.835 3.374 ( 1.052 -0.829 1.860) 2.292 3.416 ( -1.387 1.060 1.277) 2.163 3.551 ( 1.808 -2.073 2.908) 4.003 3.622 ( 1.922 0.312 -0.601) 2.038 3.653 ( -0.691 -0.728 -2.104) 2.331 3.760 ( 0.725 2.956 -0.166) 3.049 3.795 ( 1.924 -0.087 -1.407) 2.385 3.840 ( -2.310 -0.772 -1.885) 3.079 4.084 ( -2.206 2.341 -1.577) 3.583 4.144 ( -1.502 4.508 -1.336) 4.935 4.219 ( -0.700 -5.636 -0.590) 5.709 4.287 ( 0.673 -4.079 -2.593) 4.880 4.347 ( -0.725 0.467 0.606) 1.054 4.403 ( -1.439 1.064 0.759) 1.944 4.442 ( -0.540 1.648 -0.419) 1.785 4.465 ( 0.878 -1.635 3.069) 3.587 4.513 ( -0.988 -3.529 -0.112) 3.667 4.603 ( 1.440 0.336 -0.522) 1.568 4.801 ( -0.884 0.052 -0.723) 1.143 4.841 ( -2.259 0.715 -1.330) 2.717 4.869 ( -0.751 0.907 -0.177) 1.191 4.944 ( 1.207 0.033 -1.015) 1.577 4.973 ( 0.929 -1.523 0.574) 1.874 5.008 ( 0.351 -1.272 0.564) 1.435 5.131 ( -0.901 1.490 -5.376) 5.651 5.143 ( 3.139 1.944 -0.013) 3.692 5.176 ( -2.120 0.143 -3.309) 3.932 5.204 ( 1.815 0.087 1.272) 2.218 5.296 ( -2.665 0.070 0.574) 2.727 5.325 ( 0.409 -1.672 -0.469) 1.784 5.685 ( 0.077 -0.074 -1.536) 1.540 5.771 ( 0.489 0.131 2.725) 2.772 5.895 ( 1.729 1.712 1.519) 2.868 5.967 ( 0.855 -0.370 4.523) 4.618 6.081 ( -0.645 -0.601 0.110) 0.889 6.106 ( 0.910 -0.179 -0.948) 1.326 6.249 ( 2.404 0.404 1.387) 2.805 6.303 ( -1.060 -1.936 -3.028) 3.747 8.841 ( 0.086 -0.298 0.150) 0.344 8.854 ( -0.501 -1.462 0.382) 1.592 8.883 ( 1.859 0.732 0.388) 2.035 8.908 ( -0.622 -0.112 2.971) 3.037 8.945 ( 1.903 -2.414 -0.505) 3.115 9.033 ( -1.477 0.270 0.420) 1.559 9.165 ( 0.236 0.311 -0.561) 0.683 9.194 ( 0.035 -0.126 -0.343) 0.367 9.348 ( -0.415 -0.401 -2.273) 2.346 9.380 ( 0.585 -0.627 -0.323) 0.916 9.434 ( 1.489 1.227 -0.258) 1.946 9.537 ( 2.786 -1.178 0.067) 3.025 9.662 ( 0.223 4.990 4.472) 6.704 9.730 ( -1.335 0.269 -2.481) 2.830 9.989 ( 0.277 -1.078 0.330) 1.161 10.052 ( -0.255 -0.057 0.255) 0.365 10.104 ( -0.629 -0.207 0.630) 0.914 10.129 ( -0.281 0.766 0.229) 0.848 10.273 ( -1.176 -0.713 0.438) 1.443 10.303 ( -3.081 3.901 -0.253) 4.977 10.360 ( -1.990 -0.913 0.919) 2.375 10.425 ( 1.133 1.584 0.197) 1.957 10.554 ( -1.168 0.043 -4.475) 4.625 10.666 ( -1.585 0.501 1.705) 2.381 10.883 ( 1.350 -3.076 -1.512) 3.684 10.984 ( 1.768 0.976 1.189) 2.343 11.002 ( -2.360 1.118 -5.654) 6.228 11.224 ( -0.521 -1.949 -7.452) 7.720 11.473 ( -1.360 2.849 0.025) 3.157 11.584 ( -0.850 -3.516 -1.802) 4.041 11.730 ( 1.626 -0.018 1.929) 2.523 11.859 ( 2.285 1.762 5.882) 6.552 ======================= Grid point 49 (24/48) ======================= q-point: (-0.20 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -13.163 -0.000 7.178) 14.993 0.506 ( -14.702 -0.000 1.019) 14.737 0.985 ( -3.563 -0.000 6.471) 7.387 1.061 ( 4.387 0.000 -0.768) 4.454 1.113 ( -22.394 -0.000 13.057) 25.922 1.225 ( -5.478 -0.000 2.548) 6.042 1.389 ( 2.743 0.000 -2.600) 3.779 1.434 ( 0.531 0.000 0.673) 0.857 1.447 ( -12.296 -0.000 -1.160) 12.351 1.502 ( -1.230 -0.000 2.373) 2.673 1.533 ( 1.013 0.000 1.621) 1.912 1.650 ( -2.924 -0.000 -2.127) 3.616 1.691 ( -0.903 -0.000 0.893) 1.270 1.830 ( -2.053 -0.000 -0.263) 2.069 1.862 ( 2.879 0.000 5.073) 5.833 2.034 ( -0.031 -0.000 -1.815) 1.815 2.089 ( 0.578 0.000 -1.438) 1.549 2.099 ( 2.459 0.000 0.694) 2.555 2.190 ( 3.563 0.000 -3.593) 5.060 2.203 ( 0.160 0.000 -0.446) 0.473 2.255 ( -1.619 -0.000 2.055) 2.616 2.276 ( 0.487 0.000 2.249) 2.301 2.422 ( 2.627 0.000 -3.976) 4.766 2.443 ( 1.393 0.000 2.127) 2.542 2.514 ( -0.448 -0.000 -3.465) 3.494 2.515 ( 6.762 0.000 1.018) 6.838 2.598 ( 1.958 0.000 -4.623) 5.020 2.601 ( 4.159 0.000 0.199) 4.164 2.696 ( 1.395 0.000 -2.671) 3.013 2.722 ( -1.439 -0.000 1.251) 1.906 2.791 ( -0.492 -0.000 -1.011) 1.124 2.822 ( -4.750 -0.000 -2.891) 5.561 3.037 ( -4.856 -0.000 3.010) 5.714 3.054 ( 1.598 0.000 -1.972) 2.538 3.117 ( -4.008 -0.000 1.502) 4.280 3.151 ( -0.562 -0.000 0.311) 0.642 3.294 ( 2.952 0.000 -1.156) 3.171 3.364 ( 1.924 0.000 0.689) 2.044 3.400 ( -2.131 -0.000 1.076) 2.387 3.401 ( 4.310 0.000 5.156) 6.720 3.575 ( 2.405 0.000 3.637) 4.360 3.643 ( 0.674 0.000 -1.184) 1.362 3.661 ( 3.200 0.000 -1.492) 3.530 3.765 ( -4.074 -0.000 -2.706) 4.891 3.810 ( 1.537 0.000 0.062) 1.538 3.820 ( 2.003 0.000 -0.551) 2.077 4.089 ( -1.500 -0.000 -2.218) 2.678 4.123 ( -3.921 -0.000 0.511) 3.954 4.183 ( -1.867 -0.000 -2.335) 2.990 4.189 ( -1.918 -0.000 -1.633) 2.519 4.366 ( 1.988 0.000 0.137) 1.992 4.386 ( -1.843 -0.000 0.647) 1.953 4.448 ( -1.347 -0.000 0.200) 1.362 4.461 ( -0.367 -0.000 1.996) 2.029 4.490 ( 0.841 0.000 1.811) 1.997 4.624 ( 1.564 0.000 -0.725) 1.724 4.785 ( -1.029 -0.000 -1.182) 1.567 4.816 ( -0.616 -0.000 -2.212) 2.296 4.872 ( 0.242 0.000 -0.612) 0.658 4.952 ( -0.413 -0.000 1.771) 1.818 4.974 ( 1.480 0.000 0.808) 1.687 5.008 ( 0.169 0.000 -0.030) 0.171 5.103 ( -1.671 -0.000 -6.931) 7.130 5.137 ( -1.520 -0.000 -2.105) 2.597 5.215 ( 3.606 0.000 -0.488) 3.638 5.227 ( 1.384 0.000 1.309) 1.905 5.260 ( -3.371 -0.000 0.611) 3.426 5.309 ( 0.316 0.000 -1.578) 1.610 5.683 ( 0.421 0.000 -0.608) 0.740 5.781 ( -1.083 -0.000 4.112) 4.252 5.933 ( 2.015 0.000 -1.504) 2.514 6.041 ( 5.740 0.000 11.424) 12.786 6.069 ( -0.577 -0.000 -0.503) 0.766 6.115 ( 1.446 0.000 -1.324) 1.961 6.238 ( -3.203 -0.000 -5.860) 6.678 6.296 ( 2.141 0.000 1.523) 2.627 8.840 ( 0.001 0.000 0.740) 0.740 8.842 ( -0.114 -0.000 -0.073) 0.136 8.910 ( -0.468 -0.000 3.376) 3.408 8.926 ( 1.789 0.000 -0.396) 1.833 8.934 ( 1.407 0.000 -0.991) 1.721 9.023 ( -1.027 -0.000 2.249) 2.472 9.168 ( 0.227 0.000 -0.770) 0.802 9.189 ( -0.332 -0.000 -0.395) 0.516 9.334 ( -0.011 -0.000 -1.984) 1.984 9.382 ( 0.703 0.000 -0.725) 1.010 9.454 ( 0.483 0.000 0.194) 0.521 9.574 ( 3.493 0.000 -0.394) 3.515 9.698 ( -0.451 -0.000 -3.471) 3.500 9.752 ( 2.380 0.000 6.142) 6.587 9.983 ( 0.334 0.000 0.136) 0.361 10.046 ( -0.559 -0.000 0.194) 0.591 10.091 ( -0.997 -0.000 0.652) 1.191 10.138 ( 0.010 0.000 0.314) 0.314 10.234 ( -4.429 -0.000 1.187) 4.585 10.299 ( -1.330 -0.000 1.029) 1.681 10.333 ( -1.724 -0.000 -5.542) 5.804 10.462 ( 0.536 0.000 2.607) 2.662 10.482 ( -3.934 -0.000 -7.107) 8.123 10.668 ( 0.994 0.000 3.646) 3.779 10.876 ( 2.083 0.000 -1.986) 2.879 10.930 ( -5.386 -0.000 -9.723) 11.116 11.024 ( 1.124 0.000 2.034) 2.324 11.135 ( -5.990 -0.000 -5.278) 7.983 11.475 ( -3.106 -0.000 1.789) 3.584 11.541 ( 1.622 0.000 -3.940) 4.261 11.763 ( 1.925 0.000 1.625) 2.519 11.949 ( 5.103 0.000 5.963) 7.849 ======================= Grid point 50 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 6.414 0.000 14.422) 15.784 0.756 ( -10.337 -0.000 15.800) 18.881 1.006 ( -2.224 -0.000 4.738) 5.233 1.096 ( -8.804 -0.000 1.950) 9.017 1.193 ( 2.323 0.000 -6.530) 6.931 1.202 ( 8.491 0.000 -2.869) 8.962 1.334 ( 1.159 0.000 3.423) 3.614 1.347 ( -0.519 -0.000 -2.002) 2.068 1.499 ( 2.513 0.000 4.228) 4.919 1.564 ( -1.136 -0.000 0.094) 1.140 1.589 ( -1.237 -0.000 8.022) 8.117 1.644 ( -1.046 -0.000 7.180) 7.255 1.666 ( -0.742 -0.000 -4.456) 4.517 1.729 ( -2.561 -0.000 4.906) 5.535 1.925 ( -3.154 -0.000 -3.503) 4.714 1.934 ( -2.996 -0.000 6.687) 7.328 1.973 ( -4.305 -0.000 -2.911) 5.197 2.044 ( -0.689 -0.000 -4.163) 4.219 2.150 ( 1.916 0.000 -2.631) 3.255 2.152 ( 1.876 0.000 0.628) 1.978 2.242 ( 5.805 0.000 -5.264) 7.837 2.337 ( -1.024 -0.000 -1.840) 2.105 2.387 ( -0.103 -0.000 3.108) 3.110 2.397 ( 0.580 0.000 -1.348) 1.467 2.500 ( 2.626 0.000 1.154) 2.868 2.601 ( -0.847 -0.000 -1.180) 1.453 2.640 ( 4.386 0.000 -1.962) 4.805 2.672 ( -5.301 -0.000 1.059) 5.405 2.688 ( -2.332 -0.000 -1.683) 2.876 2.741 ( 3.301 0.000 -0.801) 3.397 2.802 ( 2.347 0.000 0.450) 2.390 2.868 ( 5.729 0.000 2.804) 6.378 2.938 ( 0.487 0.000 -6.740) 6.758 2.968 ( -1.866 -0.000 -2.677) 3.263 3.103 ( -3.165 -0.000 3.892) 5.016 3.168 ( 1.449 0.000 1.426) 2.033 3.217 ( -8.768 -0.000 2.835) 9.215 3.371 ( 0.620 0.000 -0.185) 0.647 3.387 ( 0.792 0.000 -0.962) 1.246 3.534 ( 0.379 0.000 -4.311) 4.327 3.612 ( -0.099 -0.000 -2.581) 2.583 3.619 ( 1.204 0.000 -3.200) 3.419 3.697 ( -1.278 -0.000 3.694) 3.908 3.705 ( 1.705 0.000 2.187) 2.773 3.817 ( -0.558 -0.000 -1.588) 1.683 3.821 ( -0.535 -0.000 -2.020) 2.090 4.028 ( 3.445 0.000 -1.618) 3.806 4.049 ( -0.329 -0.000 -0.241) 0.407 4.126 ( 0.589 0.000 -1.233) 1.367 4.129 ( 0.224 0.000 -0.654) 0.691 4.392 ( -0.935 -0.000 0.687) 1.160 4.410 ( 0.639 0.000 -0.132) 0.653 4.423 ( -1.600 -0.000 0.869) 1.821 4.447 ( 1.770 0.000 0.028) 1.770 4.621 ( 0.037 0.000 2.806) 2.807 4.655 ( 0.661 0.000 0.728) 0.983 4.798 ( 1.212 0.000 2.695) 2.955 4.804 ( 1.244 0.000 0.549) 1.359 4.854 ( 0.420 0.000 -1.629) 1.683 4.946 ( -1.416 -0.000 -2.623) 2.980 5.002 ( -0.350 -0.000 2.284) 2.310 5.028 ( -0.996 -0.000 1.092) 1.478 5.103 ( 4.440 0.000 -0.812) 4.514 5.117 ( 0.836 0.000 -0.776) 1.141 5.150 ( -0.809 -0.000 -1.249) 1.488 5.211 ( -0.732 -0.000 -3.637) 3.710 5.264 ( 0.671 0.000 0.050) 0.673 5.269 ( 0.102 0.000 -0.013) 0.103 5.742 ( 1.756 0.000 1.821) 2.529 5.811 ( -5.071 -0.000 -1.326) 5.241 5.864 ( -1.891 -0.000 3.538) 4.011 6.009 ( 0.665 0.000 -2.673) 2.755 6.085 ( -1.069 -0.000 2.207) 2.452 6.130 ( 0.655 0.000 -0.516) 0.834 6.320 ( -1.702 -0.000 0.178) 1.711 6.363 ( 3.690 0.000 -2.232) 4.312 8.842 ( -1.390 -0.000 0.635) 1.528 8.866 ( 0.873 0.000 0.264) 0.912 8.916 ( 2.553 0.000 -1.612) 3.019 8.923 ( -0.332 -0.000 -1.117) 1.165 8.994 ( -1.579 -0.000 4.409) 4.684 9.112 ( 0.653 0.000 -0.167) 0.674 9.164 ( 0.731 0.000 0.145) 0.745 9.168 ( -0.009 -0.000 -0.501) 0.501 9.303 ( 1.167 0.000 -1.183) 1.662 9.354 ( 0.200 0.000 -2.267) 2.276 9.469 ( -0.324 -0.000 1.092) 1.139 9.527 ( -7.189 -0.000 -0.772) 7.230 9.603 ( -3.746 -0.000 0.156) 3.749 9.664 ( 3.745 0.000 -2.066) 4.277 10.029 ( 1.761 0.000 1.018) 2.034 10.053 ( -1.161 -0.000 -0.338) 1.209 10.089 ( -0.423 -0.000 0.506) 0.659 10.112 ( -0.737 -0.000 -0.657) 0.987 10.162 ( -2.647 -0.000 0.689) 2.735 10.182 ( 6.220 0.000 0.058) 6.220 10.309 ( -0.693 -0.000 1.313) 1.485 10.396 ( 1.469 0.000 -2.437) 2.846 10.558 ( -0.647 -0.000 3.837) 3.891 10.610 ( -2.610 -0.000 0.772) 2.722 10.848 ( 0.895 0.000 -2.360) 2.524 10.879 ( 2.990 0.000 -3.421) 4.543 11.065 ( -1.631 -0.000 1.760) 2.400 11.108 ( 3.351 0.000 0.236) 3.360 11.437 ( -2.970 -0.000 1.459) 3.309 11.537 ( 4.824 0.000 -2.964) 5.662 11.863 ( 0.305 0.000 3.258) 3.272 11.986 ( -3.177 -0.000 -2.318) 3.933 ======================= Grid point 51 (26/48) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -7.880 -0.421 10.897) 13.454 0.842 ( -4.806 4.669 4.144) 7.878 0.951 ( 3.885 -1.877 11.701) 12.472 1.103 ( 0.141 -4.610 1.623) 4.890 1.234 ( 2.074 -3.424 -1.645) 4.328 1.252 ( 4.654 3.574 -1.879) 6.162 1.353 ( 0.194 -1.728 -1.961) 2.620 1.403 ( 3.434 -3.191 -0.184) 4.691 1.540 ( 3.921 0.450 2.013) 4.430 1.581 ( -4.579 3.293 4.498) 7.214 1.609 ( 0.235 -3.972 -2.805) 4.868 1.653 ( -0.470 1.148 4.100) 4.284 1.669 ( -0.206 -2.567 -0.011) 2.575 1.726 ( 0.317 -3.109 6.408) 7.129 1.893 ( -0.033 0.593 -1.074) 1.228 1.895 ( -0.408 -0.362 -1.709) 1.794 1.976 ( 0.278 -2.568 10.193) 10.515 2.007 ( -0.384 1.090 -4.447) 4.595 2.148 ( 0.705 0.930 -0.377) 1.226 2.172 ( 0.422 0.590 -2.463) 2.568 2.280 ( 4.128 1.880 -5.055) 6.791 2.313 ( -0.008 0.601 -1.760) 1.860 2.395 ( 0.458 0.587 4.786) 4.844 2.420 ( 1.439 -1.133 -0.096) 1.834 2.534 ( 0.843 0.075 1.459) 1.687 2.564 ( -4.020 3.257 0.022) 5.174 2.573 ( -1.317 1.208 -2.107) 2.763 2.665 ( -4.557 -1.382 0.580) 4.797 2.697 ( 2.373 -0.034 -1.252) 2.683 2.744 ( 0.766 0.642 -1.490) 1.794 2.830 ( -0.664 -1.167 -1.512) 2.022 2.910 ( -0.009 0.014 -3.512) 3.512 2.977 ( 5.795 -1.108 0.291) 5.907 2.986 ( 0.634 -2.151 -5.223) 5.684 3.064 ( -5.498 -1.815 2.108) 6.162 3.135 ( -0.050 0.111 3.154) 3.156 3.211 ( 1.695 -1.071 1.193) 2.333 3.375 ( 1.559 2.392 -0.824) 2.972 3.401 ( -1.208 -1.683 -0.299) 2.093 3.495 ( -2.055 1.426 1.105) 2.735 3.584 ( -0.635 0.732 -2.057) 2.273 3.630 ( 1.406 -0.343 -3.329) 3.630 3.680 ( -1.678 1.141 2.862) 3.508 3.726 ( -0.279 0.176 2.451) 2.473 3.778 ( 0.166 2.122 -1.506) 2.607 3.806 ( -0.865 -0.360 -2.162) 2.356 4.038 ( 1.304 0.866 -0.808) 1.762 4.097 ( -0.076 0.700 -2.385) 2.487 4.136 ( 3.456 -3.137 -1.017) 4.777 4.175 ( 3.014 -3.778 -0.875) 4.912 4.364 ( -0.428 1.461 -0.116) 1.526 4.393 ( 0.368 1.603 0.691) 1.784 4.445 ( -0.553 -1.876 -0.247) 1.971 4.494 ( 1.286 -2.559 -0.164) 2.869 4.621 ( -0.295 0.974 1.403) 1.733 4.646 ( -0.397 1.778 1.482) 2.349 4.818 ( 1.371 0.596 0.982) 1.789 4.832 ( 1.828 -0.048 1.954) 2.676 4.873 ( 1.114 -2.209 -2.289) 3.370 4.907 ( -1.186 1.603 -1.730) 2.640 4.972 ( -1.117 2.013 0.529) 2.362 5.039 ( -0.567 -0.627 -0.013) 0.845 5.079 ( -2.837 1.227 -1.066) 3.270 5.131 ( 1.353 -0.519 -0.776) 1.644 5.167 ( 0.445 0.452 -0.913) 1.112 5.218 ( -0.825 -2.259 -0.549) 2.466 5.251 ( -0.121 0.609 -0.616) 0.874 5.297 ( 3.575 -0.993 -1.909) 4.172 5.733 ( -3.730 1.346 -0.037) 3.966 5.763 ( 1.155 0.737 1.342) 1.917 5.864 ( -1.994 -1.635 4.472) 5.163 6.016 ( 0.663 -0.639 -2.183) 2.369 6.077 ( -0.587 0.954 1.925) 2.227 6.130 ( 0.368 0.312 -0.371) 0.608 6.285 ( -1.823 0.940 0.504) 2.112 6.374 ( 0.442 1.200 -2.470) 2.781 8.834 ( -1.368 -1.079 0.150) 1.749 8.877 ( 0.814 0.322 0.250) 0.910 8.904 ( -0.594 0.894 -1.352) 1.726 8.943 ( 2.555 0.298 -1.904) 3.200 8.991 ( -1.448 -0.178 4.421) 4.656 9.107 ( -0.596 0.882 0.340) 1.117 9.162 ( 0.022 0.552 -0.064) 0.556 9.174 ( 0.312 -0.306 -0.407) 0.597 9.315 ( 1.365 -0.204 -1.224) 1.844 9.343 ( 0.240 0.554 -2.620) 2.689 9.441 ( -5.192 -0.773 2.229) 5.702 9.488 ( -2.013 -3.617 1.769) 4.502 9.573 ( -0.408 0.941 -0.443) 1.117 9.702 ( 4.031 1.145 -1.326) 4.396 10.041 ( -0.350 -0.471 -0.192) 0.617 10.048 ( 0.711 0.596 0.920) 1.306 10.094 ( 0.343 -0.302 0.581) 0.739 10.111 ( -0.010 -0.490 -0.009) 0.490 10.162 ( -0.380 -2.219 -0.482) 2.302 10.292 ( 5.768 -1.767 -1.839) 6.306 10.308 ( 0.778 -0.521 0.769) 1.212 10.403 ( 1.666 -0.136 -2.364) 2.895 10.535 ( -2.292 2.564 3.514) 4.917 10.617 ( 0.163 -2.284 1.236) 2.602 10.862 ( 0.990 -1.585 -2.229) 2.909 10.889 ( 2.297 1.200 -3.692) 4.511 11.042 ( -3.081 0.287 1.379) 3.388 11.152 ( 3.863 0.128 -2.779) 4.760 11.421 ( -1.413 -0.900 0.708) 1.819 11.592 ( 4.563 -0.229 -2.566) 5.239 11.864 ( -1.138 0.932 3.334) 3.644 11.906 ( -4.989 1.766 0.335) 5.303 ======================= Grid point 52 (27/48) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -2.100 5.488 -1.559) 6.080 0.802 ( 0.009 -3.335 10.758) 11.263 1.062 ( 1.742 -0.739 4.095) 4.511 1.153 ( 2.669 3.069 1.751) 4.428 1.241 ( -0.821 1.601 0.060) 1.800 1.299 ( -0.298 -3.441 7.791) 8.522 1.370 ( -1.630 3.277 1.787) 4.073 1.460 ( -0.444 -1.821 2.645) 3.242 1.482 ( -1.146 -0.898 2.065) 2.527 1.580 ( 0.758 -0.251 -0.581) 0.987 1.619 ( -1.228 -0.361 -3.672) 3.889 1.638 ( -0.852 -1.892 1.002) 2.304 1.732 ( 1.574 -3.632 -0.347) 3.974 1.794 ( 1.424 -0.626 0.362) 1.597 1.882 ( -1.579 -0.735 -0.764) 1.902 1.945 ( 3.681 -3.099 -1.767) 5.126 2.014 ( 3.735 0.401 -2.646) 4.595 2.062 ( 0.872 -0.340 -1.373) 1.661 2.097 ( -3.346 -0.200 -1.710) 3.763 2.201 ( 0.782 1.220 4.407) 4.639 2.274 ( 2.765 0.226 0.618) 2.842 2.304 ( 0.148 -0.398 -0.506) 0.661 2.405 ( -2.952 2.882 2.692) 4.927 2.419 ( -0.868 1.021 0.597) 1.467 2.479 ( -1.462 -0.356 5.485) 5.688 2.523 ( -2.026 2.601 -1.585) 3.658 2.551 ( 0.702 0.054 0.347) 0.785 2.622 ( 0.822 1.536 1.646) 2.397 2.684 ( -2.157 2.902 -2.097) 4.180 2.762 ( 1.632 -1.902 0.564) 2.569 2.807 ( -1.867 -0.762 -2.931) 3.557 2.894 ( -3.210 -0.891 0.335) 3.348 2.968 ( 3.072 -1.357 -7.306) 8.041 3.042 ( 0.337 -2.247 -1.915) 2.972 3.132 ( 2.283 -3.782 -2.152) 4.914 3.169 ( 3.747 0.422 2.866) 4.736 3.232 ( -0.584 0.576 1.448) 1.664 3.333 ( 0.055 2.393 -1.119) 2.642 3.401 ( -1.791 -1.423 1.089) 2.533 3.466 ( -1.992 1.240 4.405) 4.991 3.582 ( 1.040 -0.696 -1.252) 1.770 3.624 ( -1.089 -0.077 -1.253) 1.662 3.663 ( 1.009 1.450 -1.025) 2.042 3.713 ( -1.247 -0.371 1.764) 2.191 3.777 ( 2.131 0.889 -0.183) 2.316 3.796 ( -1.010 -0.807 -2.185) 2.539 4.049 ( 1.941 0.049 -1.180) 2.272 4.054 ( -1.095 1.720 -1.446) 2.500 4.219 ( 2.915 -2.268 -2.787) 4.627 4.268 ( 1.601 -3.778 -0.420) 4.125 4.337 ( -0.198 1.517 -0.963) 1.808 4.398 ( 1.850 0.082 0.500) 1.918 4.429 ( -2.320 1.146 -0.049) 2.588 4.538 ( 0.954 -1.830 -0.912) 2.257 4.603 ( -0.241 1.179 0.746) 1.416 4.617 ( -0.919 2.356 2.317) 3.430 4.819 ( -0.810 0.930 -0.137) 1.241 4.844 ( 0.213 0.910 1.162) 1.491 4.892 ( 1.784 0.892 1.629) 2.575 4.916 ( 0.859 -2.522 -2.738) 3.821 4.930 ( -0.112 1.266 -1.740) 2.155 4.996 ( -1.109 2.091 -1.584) 2.848 5.069 ( -0.995 -1.928 -0.112) 2.172 5.118 ( -1.532 1.271 -0.801) 2.146 5.166 ( -0.174 0.489 0.550) 0.756 5.208 ( 0.788 -0.267 -0.349) 0.902 5.274 ( 0.095 -1.347 -1.131) 1.761 5.338 ( 1.464 -0.255 -1.368) 2.019 5.685 ( -1.194 0.777 -0.105) 1.428 5.780 ( 2.041 -0.234 -0.055) 2.055 5.883 ( -2.463 -2.162 4.872) 5.872 6.024 ( 0.777 -0.296 -1.119) 1.394 6.067 ( 0.410 0.319 1.382) 1.477 6.131 ( 0.513 0.544 0.255) 0.790 6.246 ( -3.122 0.472 -1.431) 3.467 6.348 ( 0.583 1.713 -0.353) 1.844 8.833 ( -0.973 -0.979 0.004) 1.380 8.873 ( -0.348 0.709 -0.547) 0.961 8.888 ( 0.436 0.446 -0.130) 0.637 8.955 ( 1.596 0.793 -2.287) 2.900 8.994 ( -0.847 -0.069 4.219) 4.303 9.081 ( -1.543 0.931 1.890) 2.612 9.155 ( -0.049 0.334 -0.062) 0.343 9.180 ( 0.160 -0.300 -0.590) 0.681 9.312 ( 0.112 0.818 -2.596) 2.724 9.357 ( 1.829 -1.444 -1.827) 2.961 9.416 ( -1.085 -0.402 1.186) 1.657 9.522 ( -2.244 -3.701 0.790) 4.400 9.568 ( -0.200 -1.209 0.844) 1.487 9.725 ( 3.188 1.807 -0.806) 3.752 10.044 ( -0.049 0.549 0.592) 0.809 10.051 ( 0.341 -0.273 0.389) 0.586 10.103 ( 0.344 -0.148 0.076) 0.382 10.119 ( -0.009 -0.308 0.725) 0.788 10.191 ( -0.010 -2.095 -1.386) 2.512 10.293 ( -0.801 0.480 0.272) 0.973 10.363 ( 1.556 -0.544 -1.718) 2.381 10.435 ( -0.972 0.210 0.133) 1.003 10.498 ( 3.504 1.189 0.509) 3.735 10.655 ( 0.385 -1.747 0.618) 1.893 10.868 ( 0.153 0.773 -3.851) 3.931 10.912 ( 2.191 -1.324 -0.971) 2.738 10.992 ( -2.939 1.084 0.697) 3.209 11.171 ( 1.764 0.854 -4.044) 4.494 11.423 ( -0.221 -0.676 0.116) 0.721 11.625 ( 1.562 0.781 -1.613) 2.377 11.818 ( -2.698 1.726 2.991) 4.382 11.875 ( -0.588 -1.306 1.857) 2.345 ======================= Grid point 53 (28/48) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 9.182 0.723 -0.083) 9.211 0.912 ( 3.624 3.233 6.460) 8.082 0.967 ( -4.817 4.957 6.875) 9.748 1.173 ( -4.239 1.409 1.985) 4.888 1.208 ( 3.486 -0.631 -0.370) 3.562 1.244 ( -5.478 1.759 4.704) 7.431 1.419 ( -1.235 -1.140 7.058) 7.255 1.430 ( -1.294 0.540 -2.533) 2.895 1.531 ( -1.323 -1.310 5.232) 5.553 1.541 ( -1.082 1.904 1.668) 2.753 1.609 ( 0.123 -0.456 -2.678) 2.719 1.733 ( 1.578 -7.626 -2.504) 8.180 1.743 ( -2.074 1.459 3.070) 3.981 1.772 ( -5.982 7.064 3.839) 10.021 1.860 ( 1.070 -2.909 -0.764) 3.193 1.959 ( -3.799 0.486 -3.409) 5.127 2.031 ( 2.903 -0.951 -1.002) 3.215 2.044 ( -0.877 -2.432 -1.720) 3.105 2.118 ( -0.647 -0.016 -5.893) 5.928 2.158 ( -0.276 1.189 1.396) 1.854 2.266 ( -1.914 1.633 0.562) 2.577 2.293 ( -0.421 -0.684 0.582) 0.992 2.374 ( -0.529 0.068 2.334) 2.395 2.418 ( -2.328 2.728 -4.043) 5.404 2.461 ( 2.565 -0.595 0.382) 2.661 2.548 ( 3.702 -2.109 4.006) 5.848 2.568 ( 2.487 1.781 -1.312) 3.328 2.615 ( 0.823 -0.408 1.620) 1.862 2.661 ( 1.579 0.386 2.537) 3.013 2.773 ( -3.302 -0.113 -1.702) 3.717 2.804 ( 1.627 0.366 0.215) 1.682 2.878 ( -0.772 0.340 1.459) 1.685 3.000 ( 1.874 -0.683 -7.320) 7.587 3.049 ( 0.326 0.113 -2.426) 2.451 3.142 ( -1.068 0.757 -0.173) 1.321 3.192 ( -0.455 1.908 2.974) 3.562 3.248 ( 0.008 -2.765 1.344) 3.075 3.345 ( 3.634 -2.769 -4.078) 6.124 3.403 ( -1.374 -0.565 1.622) 2.199 3.437 ( -1.804 1.492 3.967) 4.606 3.596 ( 0.136 -0.723 -2.004) 2.134 3.619 ( -0.163 -1.016 -0.212) 1.051 3.654 ( 1.231 1.009 -0.410) 1.644 3.721 ( -0.607 -0.396 0.778) 1.063 3.779 ( -0.020 -0.226 -1.842) 1.856 3.797 ( 0.914 -0.441 -0.373) 1.081 4.024 ( 0.241 1.024 -0.976) 1.435 4.076 ( 2.421 -0.461 -1.693) 2.990 4.219 ( -2.155 1.004 -3.044) 3.862 4.269 ( -2.777 4.264 -0.405) 5.105 4.334 ( 1.407 -1.506 -0.729) 2.186 4.393 ( -1.651 -0.870 0.391) 1.907 4.429 ( 2.118 0.196 0.211) 2.137 4.530 ( -1.361 2.406 -0.915) 2.912 4.592 ( 0.258 0.140 2.250) 2.269 4.605 ( 0.199 -0.272 1.624) 1.659 4.791 ( -0.835 0.628 0.244) 1.074 4.821 ( -1.019 2.193 1.304) 2.747 4.884 ( 1.108 1.860 -0.879) 2.337 4.940 ( 0.955 -1.210 0.436) 1.602 4.960 ( 1.078 -1.042 -1.863) 2.391 4.981 ( 1.097 -1.451 -1.564) 2.399 5.069 ( -1.188 -0.306 -1.574) 1.996 5.108 ( 1.516 0.273 0.789) 1.731 5.157 ( 1.002 0.103 0.049) 1.008 5.238 ( 0.578 -1.728 -0.489) 1.887 5.258 ( -1.737 1.266 -0.832) 2.305 5.327 ( -0.840 1.675 -0.822) 2.046 5.680 ( 0.896 -0.198 0.062) 0.920 5.821 ( 2.261 -1.832 -1.853) 3.450 5.883 ( -3.430 -1.134 4.378) 5.676 6.037 ( 1.006 -0.164 -1.816) 2.083 6.102 ( 1.482 -0.589 2.378) 2.863 6.138 ( 1.973 -1.228 0.786) 2.453 6.178 ( -3.862 1.205 -2.105) 4.561 6.350 ( 1.484 0.541 0.864) 1.800 8.839 ( -0.087 -0.741 0.550) 0.927 8.861 ( -0.060 0.101 -0.716) 0.726 8.891 ( 0.619 0.135 -0.123) 0.645 8.946 ( 0.396 1.067 -2.161) 2.442 8.999 ( -0.765 0.242 4.255) 4.330 9.070 ( -0.367 -0.364 2.199) 2.259 9.152 ( -0.030 0.060 -0.068) 0.095 9.180 ( -0.073 0.007 -0.682) 0.686 9.296 ( 0.429 0.565 -2.346) 2.451 9.371 ( -0.669 -0.489 -1.562) 1.768 9.444 ( 3.694 -0.118 -0.245) 3.704 9.533 ( -0.892 -1.569 -0.488) 1.869 9.602 ( -1.089 -3.597 0.485) 3.789 9.727 ( 0.043 0.640 -0.986) 1.176 10.037 ( 0.185 1.145 0.803) 1.411 10.053 ( -0.435 0.020 0.343) 0.554 10.103 ( -0.625 -0.056 0.031) 0.628 10.127 ( 0.824 0.326 0.755) 1.164 10.188 ( -2.056 -0.021 -1.823) 2.747 10.281 ( -0.103 0.440 0.154) 0.477 10.372 ( -3.832 2.346 1.546) 4.751 10.374 ( 0.337 -0.564 -1.698) 1.821 10.552 ( 3.622 0.679 -0.233) 3.692 10.672 ( -0.319 -0.441 -0.880) 1.034 10.833 ( -0.996 1.129 -2.158) 2.631 10.906 ( -1.162 2.097 -0.735) 2.508 10.998 ( 1.796 -2.422 0.427) 3.045 11.144 ( -0.772 1.913 -2.463) 3.213 11.438 ( 1.247 -0.635 -0.396) 1.454 11.590 ( -2.235 2.763 -0.326) 3.569 11.803 ( 0.248 -0.185 2.761) 2.778 11.921 ( 1.428 -3.367 0.606) 3.707 ======================= Grid point 54 (29/48) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 5.100 7.269 7.562) 11.663 0.802 ( -1.556 3.118 12.345) 12.828 1.000 ( -2.301 -0.827 7.008) 7.422 1.118 ( 0.836 0.426 -1.139) 1.476 1.163 ( -3.961 -1.993 -2.322) 5.005 1.274 ( -0.989 2.802 -0.615) 3.035 1.323 ( -2.270 1.301 0.429) 2.651 1.422 ( -4.914 4.302 2.595) 7.028 1.465 ( -3.887 -0.764 6.638) 7.730 1.561 ( -0.809 -0.485 8.428) 8.480 1.617 ( 1.596 1.377 0.818) 2.261 1.642 ( -2.174 2.890 3.864) 5.292 1.704 ( -1.258 1.302 -3.158) 3.640 1.763 ( -4.558 1.344 3.525) 5.916 1.914 ( 0.557 -5.942 -2.176) 6.352 1.948 ( -3.440 -3.759 0.778) 5.154 2.011 ( -1.481 1.151 -3.853) 4.285 2.078 ( 0.339 -2.742 -5.800) 6.425 2.110 ( 1.149 0.015 0.560) 1.278 2.177 ( -1.750 3.746 -0.760) 4.203 2.189 ( 3.325 -0.743 -3.316) 4.755 2.330 ( -0.024 -2.393 2.177) 3.236 2.367 ( 0.130 -0.947 -2.187) 2.386 2.400 ( 1.269 0.472 -1.763) 2.223 2.478 ( 1.565 0.988 0.526) 1.924 2.584 ( 5.534 0.591 -3.064) 6.354 2.603 ( -0.216 -0.725 0.926) 1.196 2.677 ( 5.034 2.036 -1.706) 5.692 2.696 ( -0.175 -2.610 3.825) 4.634 2.727 ( -3.057 -2.517 0.372) 3.977 2.794 ( 0.720 3.330 0.122) 3.409 2.851 ( 0.100 3.673 3.712) 5.223 2.970 ( -0.499 0.602 -8.356) 8.393 3.023 ( -0.949 2.327 -2.234) 3.363 3.132 ( -0.890 0.160 2.097) 2.284 3.163 ( -2.281 0.683 2.580) 3.511 3.267 ( -4.522 -3.448 2.827) 6.351 3.378 ( -1.372 -0.059 -1.419) 1.975 3.406 ( -0.406 2.475 1.530) 2.938 3.471 ( 6.007 -4.929 -4.005) 8.741 3.604 ( 0.679 -0.794 -2.291) 2.518 3.625 ( 0.231 -0.018 -2.811) 2.820 3.669 ( 1.683 -0.272 1.432) 2.226 3.705 ( -1.042 0.818 2.546) 2.870 3.797 ( 0.218 -2.351 -1.253) 2.673 3.818 ( 1.169 -0.726 -1.075) 1.746 4.020 ( 1.269 0.890 -1.115) 1.909 4.100 ( 0.446 0.761 -2.346) 2.506 4.129 ( -3.591 3.261 -0.296) 4.860 4.166 ( -1.924 2.877 -0.850) 3.563 4.368 ( 0.751 -1.719 0.295) 1.899 4.401 ( -1.402 -1.891 -0.221) 2.364 4.433 ( 1.223 1.840 0.769) 2.339 4.482 ( -0.392 2.887 -0.547) 2.965 4.607 ( 0.026 -0.006 3.564) 3.564 4.628 ( 0.963 -1.474 0.524) 1.837 4.787 ( 0.329 0.248 1.345) 1.407 4.791 ( -0.230 0.751 1.200) 1.434 4.866 ( 0.605 1.559 -1.492) 2.241 4.961 ( -1.403 -1.760 -1.010) 2.467 4.976 ( 0.312 -1.188 0.747) 1.438 5.027 ( 3.464 -0.688 -0.683) 3.598 5.057 ( 0.788 0.927 0.048) 1.218 5.109 ( 1.893 1.924 -0.343) 2.721 5.195 ( -2.861 0.943 -1.314) 3.286 5.210 ( 1.804 -2.317 -1.091) 3.132 5.259 ( -0.356 -0.321 -0.317) 0.574 5.280 ( -0.843 1.899 -0.792) 2.223 5.707 ( 1.768 -0.657 0.986) 2.128 5.852 ( -2.421 -2.653 -2.835) 4.576 5.871 ( -0.915 0.379 4.198) 4.314 6.028 ( 0.431 1.665 -2.853) 3.331 6.101 ( -2.552 -0.429 0.166) 2.593 6.122 ( -0.067 0.304 -0.025) 0.313 6.249 ( 4.338 -4.653 1.975) 6.661 6.359 ( 1.436 1.517 -0.337) 2.115 8.852 ( 0.450 -0.251 0.545) 0.750 8.859 ( -0.307 0.197 0.636) 0.733 8.896 ( 1.183 0.092 -1.885) 2.227 8.929 ( -0.132 0.346 -1.123) 1.183 8.998 ( -1.271 0.223 4.333) 4.522 9.093 ( 0.855 -0.893 1.345) 1.827 9.154 ( 0.322 -0.183 0.064) 0.376 9.174 ( -0.145 0.259 -0.639) 0.705 9.293 ( 0.951 0.058 -1.708) 1.956 9.361 ( -0.183 0.030 -1.914) 1.923 9.472 ( 1.519 1.305 0.401) 2.042 9.555 ( 0.992 -1.543 -1.882) 2.628 9.629 ( 0.148 -1.716 -1.456) 2.255 9.688 ( -6.493 -1.112 -1.823) 6.835 10.019 ( 0.274 1.422 0.632) 1.580 10.055 ( -0.242 -0.684 0.468) 0.864 10.096 ( -0.448 0.146 0.465) 0.662 10.132 ( 1.242 1.685 0.603) 2.178 10.146 ( -1.854 -0.123 -1.027) 2.123 10.241 ( -3.080 3.766 -0.199) 4.869 10.317 ( -1.273 0.500 1.319) 1.900 10.382 ( 1.080 -0.487 -2.071) 2.386 10.560 ( -0.024 1.463 2.886) 3.236 10.649 ( -2.574 0.061 -1.371) 2.917 10.827 ( 1.492 -0.939 -0.537) 1.843 10.870 ( 0.877 1.764 -2.012) 2.816 11.059 ( 2.367 -1.484 0.955) 2.952 11.095 ( -1.641 1.776 0.387) 2.449 11.464 ( 0.273 -0.684 0.367) 0.823 11.519 ( -0.558 2.620 -1.257) 2.959 11.834 ( 1.249 -0.814 2.760) 3.137 11.985 ( 0.583 -3.253 -1.541) 3.647 ======================= Grid point 56 (30/48) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 2.937 0.000 4.398) 5.288 0.867 ( -3.495 -0.000 0.495) 3.530 1.031 ( 1.682 0.000 3.647) 4.016 1.116 ( 11.196 0.000 9.695) 14.810 1.233 ( 1.966 0.000 1.083) 2.245 1.359 ( 5.113 0.000 -2.924) 5.890 1.369 ( 2.667 0.000 -1.476) 3.048 1.397 ( 2.010 0.000 0.298) 2.032 1.547 ( -5.306 -0.000 -0.525) 5.332 1.598 ( -0.429 -0.000 4.384) 4.405 1.607 ( 2.454 0.000 0.636) 2.535 1.641 ( 1.718 0.000 0.965) 1.971 1.692 ( -0.192 -0.000 8.634) 8.637 1.723 ( 3.088 0.000 -1.532) 3.447 1.883 ( -0.561 -0.000 -1.106) 1.240 1.885 ( 0.795 0.000 -2.606) 2.724 1.987 ( -0.798 -0.000 -1.541) 1.736 1.998 ( -0.916 -0.000 7.467) 7.523 2.147 ( -2.336 -0.000 -2.809) 3.654 2.187 ( 3.614 0.000 2.087) 4.173 2.312 ( 0.958 0.000 -1.191) 1.528 2.326 ( 2.996 0.000 -4.847) 5.698 2.418 ( -0.058 -0.000 5.073) 5.074 2.455 ( 3.950 0.000 1.994) 4.425 2.497 ( -5.769 -0.000 1.003) 5.855 2.559 ( -4.327 -0.000 -1.380) 4.542 2.598 ( 0.392 0.000 -0.402) 0.562 2.607 ( 4.144 0.000 -1.059) 4.277 2.713 ( 1.479 0.000 -0.359) 1.522 2.754 ( -2.706 -0.000 -0.278) 2.720 2.772 ( -3.146 -0.000 -2.998) 4.346 2.912 ( -7.427 -0.000 6.741) 10.030 2.950 ( 0.053 0.000 -1.850) 1.851 2.951 ( 1.022 0.000 -9.310) 9.366 3.040 ( 4.151 0.000 -5.203) 6.656 3.196 ( 5.690 0.000 4.998) 7.573 3.225 ( -0.287 -0.000 2.030) 2.051 3.370 ( -1.260 -0.000 0.195) 1.275 3.430 ( 2.637 0.000 0.150) 2.641 3.444 ( -5.738 -0.000 1.755) 6.000 3.576 ( 0.396 0.000 -2.198) 2.233 3.627 ( -0.325 -0.000 -2.977) 2.995 3.688 ( 0.374 0.000 2.336) 2.366 3.724 ( -1.799 -0.000 1.390) 2.273 3.762 ( -1.780 -0.000 -2.315) 2.920 3.802 ( 0.948 0.000 -0.977) 1.361 4.106 ( 4.145 0.000 -1.213) 4.319 4.120 ( -0.413 -0.000 -1.720) 1.769 4.131 ( 4.690 0.000 -2.745) 5.435 4.160 ( 1.766 0.000 0.432) 1.818 4.381 ( 0.627 0.000 -1.885) 1.987 4.416 ( 0.365 0.000 0.940) 1.008 4.417 ( -0.188 -0.000 0.467) 0.504 4.497 ( 1.584 0.000 0.630) 1.705 4.620 ( -1.554 -0.000 1.049) 1.875 4.649 ( -1.631 -0.000 1.539) 2.242 4.842 ( 0.758 0.000 -1.052) 1.297 4.852 ( 0.995 0.000 -2.495) 2.686 4.875 ( 1.768 0.000 2.695) 3.223 4.919 ( 2.586 0.000 -2.836) 3.838 4.970 ( -2.325 -0.000 0.038) 2.325 5.018 ( 0.121 0.000 1.795) 1.799 5.091 ( -2.486 -0.000 -2.624) 3.615 5.100 ( 0.781 0.000 -1.023) 1.287 5.154 ( -3.048 -0.000 0.546) 3.096 5.206 ( 0.831 0.000 -1.520) 1.732 5.240 ( -0.265 -0.000 0.456) 0.528 5.330 ( 3.045 0.000 -2.644) 4.033 5.697 ( -2.622 -0.000 0.122) 2.625 5.780 ( -0.451 -0.000 1.483) 1.550 5.847 ( -1.129 -0.000 4.847) 4.977 6.020 ( 1.510 0.000 -1.677) 2.257 6.085 ( -0.890 -0.000 1.636) 1.862 6.128 ( -0.387 -0.000 0.010) 0.387 6.252 ( -3.232 -0.000 -0.650) 3.296 6.375 ( -0.596 -0.000 -1.604) 1.711 8.813 ( -0.912 -0.000 0.637) 1.112 8.889 ( 0.639 0.000 -0.161) 0.659 8.893 ( -1.128 -0.000 -1.225) 1.666 8.965 ( 1.431 0.000 -1.910) 2.387 8.990 ( -1.087 -0.000 4.472) 4.602 9.098 ( -2.008 -0.000 1.045) 2.264 9.167 ( 0.158 0.000 -0.613) 0.633 9.170 ( -0.291 -0.000 0.158) 0.331 9.328 ( 1.530 0.000 -0.929) 1.790 9.343 ( 0.499 0.000 -2.872) 2.915 9.381 ( -2.647 -0.000 0.846) 2.779 9.446 ( -2.043 -0.000 1.833) 2.745 9.576 ( 0.150 0.000 0.367) 0.397 9.762 ( 3.851 0.000 -0.359) 3.868 10.027 ( -0.210 -0.000 -0.840) 0.866 10.059 ( -0.378 -0.000 0.933) 1.007 10.113 ( 0.891 0.000 1.558) 1.795 10.115 ( 0.752 0.000 0.046) 0.753 10.153 ( 2.478 0.000 -1.120) 2.720 10.305 ( -0.268 -0.000 1.238) 1.267 10.356 ( 3.278 0.000 -2.762) 4.286 10.433 ( 5.964 0.000 -1.515) 6.154 10.562 ( -0.993 -0.000 3.443) 3.584 10.599 ( 1.003 0.000 -0.417) 1.086 10.854 ( 0.726 0.000 -1.065) 1.289 10.912 ( 2.306 0.000 -4.297) 4.877 11.008 ( -3.448 -0.000 2.077) 4.025 11.176 ( 2.106 0.000 -5.291) 5.695 11.417 ( 1.136 0.000 0.269) 1.168 11.631 ( 2.916 0.000 -2.731) 3.995 11.848 ( -5.139 -0.000 1.717) 5.418 11.856 ( -2.796 -0.000 3.556) 4.523 ======================= Grid point 57 (31/48) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 7.478 7.020 -4.205) 11.085 0.881 ( 7.443 -2.323 3.160) 8.413 1.078 ( 0.428 -1.022 0.058) 1.110 1.223 ( 2.821 2.544 1.923) 4.258 1.297 ( 1.539 2.592 4.551) 5.459 1.338 ( 2.936 3.107 8.054) 9.118 1.416 ( -3.242 3.760 -1.558) 5.203 1.446 ( 3.161 -2.946 2.619) 5.053 1.462 ( -0.135 -1.679 2.041) 2.647 1.604 ( 1.131 1.642 -0.362) 2.027 1.623 ( 2.461 2.066 0.537) 3.258 1.649 ( 1.439 3.293 0.861) 3.696 1.722 ( 1.898 -1.210 3.382) 4.063 1.790 ( -0.060 -1.330 -0.113) 1.336 1.859 ( -0.701 -1.339 -0.165) 1.521 1.927 ( 0.300 -5.074 -0.759) 5.140 1.968 ( -3.049 -1.038 -2.097) 3.843 2.030 ( 0.664 -3.893 -2.176) 4.509 2.075 ( -3.514 2.508 -1.760) 4.662 2.270 ( 2.592 4.219 -1.942) 5.319 2.312 ( 2.390 0.585 -0.347) 2.485 2.326 ( 3.070 1.150 -0.110) 3.280 2.396 ( -5.535 2.844 3.267) 7.029 2.438 ( 0.310 -0.006 4.226) 4.238 2.491 ( -2.899 2.028 3.783) 5.180 2.529 ( 2.145 -0.703 -0.552) 2.324 2.570 ( -0.328 1.828 2.520) 3.130 2.653 ( 0.940 0.474 -1.000) 1.452 2.703 ( 1.134 1.263 -3.402) 3.802 2.703 ( -3.901 -2.655 1.330) 4.903 2.789 ( 0.664 -4.073 -2.542) 4.847 2.820 ( -3.403 0.763 1.305) 3.724 2.974 ( 0.513 -3.674 -2.505) 4.477 2.983 ( 2.689 -1.173 -5.084) 5.870 3.101 ( 3.014 -3.604 -2.112) 5.152 3.205 ( -3.095 0.069 1.658) 3.511 3.262 ( 3.433 1.933 2.401) 4.614 3.352 ( -3.488 2.398 1.007) 4.351 3.379 ( -0.403 -1.237 1.808) 2.228 3.460 ( -0.658 -0.234 2.062) 2.177 3.577 ( 0.137 -0.048 -1.830) 1.836 3.601 ( -1.443 -0.102 -0.749) 1.629 3.679 ( -1.246 1.286 -0.711) 1.926 3.721 ( 1.763 -0.282 0.276) 1.807 3.753 ( -0.370 -1.106 -2.200) 2.490 3.806 ( 0.633 0.520 -0.368) 0.898 4.084 ( 0.568 2.466 -1.764) 3.085 4.116 ( 4.336 2.890 -1.355) 5.384 4.202 ( 0.783 -2.155 -2.375) 3.301 4.222 ( 1.729 -3.357 0.766) 3.853 4.366 ( 1.135 1.487 -2.389) 3.034 4.414 ( -1.130 0.534 0.552) 1.366 4.433 ( 1.625 0.197 0.321) 1.668 4.524 ( 0.882 -1.323 -0.101) 1.593 4.593 ( -2.704 0.210 0.774) 2.820 4.627 ( -2.030 0.586 2.064) 2.954 4.825 ( -0.148 1.585 -1.290) 2.049 4.864 ( 0.027 -0.199 0.305) 0.365 4.897 ( 1.399 -0.736 -0.809) 1.776 4.944 ( 1.398 1.070 0.809) 1.938 4.952 ( 2.790 0.956 -3.189) 4.343 5.010 ( -2.017 3.555 -1.944) 4.526 5.035 ( -0.086 -1.211 0.789) 1.448 5.114 ( -0.176 0.015 -0.400) 0.437 5.146 ( -0.576 -2.129 0.064) 2.206 5.182 ( -2.744 -1.041 -0.124) 2.938 5.275 ( 2.571 -0.624 -1.153) 2.886 5.344 ( 0.431 0.092 -1.659) 1.716 5.675 ( -0.640 -0.074 -0.320) 0.720 5.772 ( -1.864 -1.157 -0.405) 2.231 5.863 ( -0.198 -0.416 5.243) 5.264 6.034 ( 1.401 0.414 -0.823) 1.677 6.077 ( -0.172 -0.646 1.561) 1.698 6.129 ( -0.670 -0.526 0.620) 1.053 6.202 ( -3.281 0.555 -1.541) 3.667 6.357 ( -0.776 0.163 -0.706) 1.062 8.814 ( -0.182 -0.756 0.646) 1.011 8.871 ( -0.868 0.433 -0.626) 1.155 8.894 ( 0.165 -0.009 -0.258) 0.306 8.960 ( -0.678 0.312 -1.360) 1.551 8.998 ( -0.797 -0.383 3.858) 3.958 9.074 ( -1.654 0.307 1.762) 2.437 9.160 ( -0.099 0.475 -0.070) 0.491 9.173 ( -0.000 -0.453 -0.471) 0.653 9.323 ( 0.697 1.375 -2.547) 2.978 9.349 ( 0.175 -0.638 -1.422) 1.569 9.389 ( 1.050 -2.624 -0.833) 2.946 9.446 ( -2.211 -2.796 1.764) 3.977 9.582 ( 1.391 0.964 1.426) 2.213 9.789 ( 2.135 1.812 -0.583) 2.860 10.032 ( 0.207 -0.817 -0.542) 1.002 10.051 ( -1.233 0.028 0.808) 1.474 10.114 ( 0.132 0.518 0.271) 0.599 10.128 ( 0.672 -0.196 0.551) 0.891 10.200 ( 4.151 0.300 -0.355) 4.177 10.302 ( 0.038 0.680 1.010) 1.218 10.362 ( 0.110 -0.055 -1.790) 1.794 10.474 ( 0.893 4.577 1.000) 4.769 10.566 ( 4.790 0.106 -0.997) 4.894 10.634 ( 0.619 -2.109 -0.914) 2.380 10.864 ( 0.520 0.194 -0.750) 0.933 10.929 ( 2.629 -0.248 -2.968) 3.973 10.967 ( -3.066 0.346 1.635) 3.492 11.168 ( -0.016 0.104 -5.977) 5.978 11.441 ( 2.532 0.425 0.102) 2.569 11.634 ( -0.855 0.590 -1.773) 2.055 11.806 ( -2.307 0.365 2.837) 3.675 11.841 ( -2.130 -1.927 2.526) 3.825 ======================= Grid point 58 (32/48) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 11.432 2.520 -3.717) 12.283 0.988 ( -4.281 1.720 -0.448) 4.635 1.069 ( 6.365 2.887 2.770) 7.518 1.194 ( -1.892 7.743 6.228) 10.116 1.206 ( -4.607 1.644 4.976) 6.977 1.288 ( -0.532 5.460 0.400) 5.500 1.422 ( 2.343 -0.368 3.049) 3.863 1.450 ( -2.550 1.930 3.549) 4.777 1.536 ( 1.747 1.094 0.064) 2.062 1.587 ( 0.873 1.479 0.882) 1.931 1.631 ( 2.170 1.116 1.664) 2.954 1.672 ( 4.070 -2.603 1.521) 5.065 1.737 ( -2.300 1.069 0.886) 2.687 1.801 ( -1.755 0.801 1.348) 2.353 1.832 ( -2.626 1.175 0.961) 3.033 1.907 ( -2.713 0.610 -3.160) 4.209 1.957 ( -2.437 -0.842 -3.735) 4.539 2.045 ( 2.829 -3.197 1.500) 4.524 2.103 ( -0.365 -1.595 0.082) 1.638 2.178 ( -0.172 3.771 -5.463) 6.641 2.271 ( 0.691 0.490 1.374) 1.615 2.298 ( -3.254 4.238 4.222) 6.810 2.381 ( -1.584 1.814 -1.325) 2.749 2.418 ( 0.357 1.283 0.409) 1.393 2.487 ( 2.984 -0.913 -1.078) 3.301 2.582 ( -1.306 -2.280 1.680) 3.119 2.598 ( 1.591 -2.177 4.799) 5.505 2.624 ( 2.329 1.399 -4.228) 5.026 2.697 ( -1.088 0.697 -1.704) 2.138 2.712 ( 0.575 -0.146 0.378) 0.703 2.819 ( -2.195 -4.186 -0.140) 4.729 2.855 ( 3.863 -1.582 1.786) 4.540 2.981 ( -1.728 -1.169 -2.758) 3.458 3.035 ( 2.225 -1.223 -2.868) 3.830 3.141 ( -0.644 0.667 -0.911) 1.300 3.197 ( -0.324 -2.160 0.616) 2.270 3.246 ( -2.252 3.691 3.558) 5.599 3.323 ( 1.874 -2.734 -3.448) 4.784 3.390 ( -1.318 -0.246 1.842) 2.278 3.449 ( -0.926 1.137 3.126) 3.453 3.571 ( -0.648 -1.221 -0.579) 1.498 3.607 ( 1.037 -0.842 -1.231) 1.816 3.658 ( -0.663 -0.459 0.072) 0.809 3.733 ( -0.109 0.529 -0.304) 0.620 3.753 ( 0.099 -0.148 -2.267) 2.274 3.808 ( 0.912 0.167 -0.513) 1.060 4.069 ( 2.455 1.596 -1.785) 3.430 4.138 ( 4.394 1.933 -1.988) 5.196 4.181 ( -2.339 0.942 -1.863) 3.135 4.258 ( -2.977 0.652 0.369) 3.070 4.343 ( 0.696 1.232 -1.049) 1.762 4.386 ( -0.326 1.052 0.464) 1.195 4.461 ( 1.954 -0.109 0.203) 1.968 4.531 ( -1.053 0.522 -1.046) 1.573 4.573 ( -1.148 -1.826 0.900) 2.337 4.604 ( -1.593 -0.051 2.111) 2.645 4.801 ( 0.120 1.232 0.313) 1.277 4.851 ( -0.394 2.270 1.568) 2.787 4.923 ( -0.457 -0.504 -2.034) 2.145 4.933 ( 1.310 2.512 -1.134) 3.051 4.963 ( 0.054 -0.025 -0.897) 0.899 4.980 ( 2.380 -2.003 -1.656) 3.524 5.055 ( 1.684 -0.013 0.028) 1.684 5.131 ( 1.853 -1.450 -0.645) 2.439 5.155 ( -0.099 -0.219 -0.066) 0.249 5.178 ( -3.120 -2.566 0.156) 4.042 5.288 ( 1.656 1.556 -1.380) 2.658 5.330 ( -0.868 1.097 -0.949) 1.691 5.684 ( 1.117 -0.838 -0.284) 1.425 5.764 ( -3.060 -2.928 -1.685) 4.558 5.884 ( 0.565 0.471 4.773) 4.829 6.046 ( 0.898 -0.511 0.203) 1.053 6.095 ( -2.216 -0.665 -1.364) 2.686 6.123 ( -0.992 0.034 0.309) 1.040 6.169 ( 1.394 -0.658 1.587) 2.212 6.354 ( -0.351 -1.068 -0.658) 1.303 8.833 ( 0.746 -1.060 0.756) 1.500 8.859 ( -0.204 0.087 -0.215) 0.309 8.896 ( 0.350 -0.199 -0.610) 0.731 8.937 ( -1.630 -0.017 -1.566) 2.260 9.003 ( -1.237 -0.096 4.167) 4.348 9.069 ( -0.169 -0.470 1.492) 1.573 9.154 ( -0.016 0.258 0.140) 0.294 9.177 ( 0.129 -0.166 -0.720) 0.750 9.309 ( 1.183 1.076 -2.335) 2.830 9.348 ( -0.463 -0.683 -2.067) 2.226 9.453 ( 1.096 -3.455 0.041) 3.625 9.471 ( -0.985 -3.725 0.511) 3.887 9.591 ( 1.638 1.877 2.124) 3.273 9.758 ( -0.690 3.371 -2.125) 4.044 10.033 ( -1.422 -0.058 0.731) 1.600 10.045 ( -0.054 -0.586 0.006) 0.588 10.109 ( 0.122 0.688 0.451) 0.832 10.138 ( 0.109 -0.252 -0.174) 0.325 10.226 ( 3.476 3.542 0.220) 4.968 10.302 ( 1.116 0.825 0.773) 1.589 10.353 ( -1.098 0.436 -0.918) 1.497 10.399 ( -0.789 4.026 0.063) 4.103 10.607 ( 1.166 1.118 -0.287) 1.641 10.648 ( -0.061 -0.353 -2.329) 2.357 10.845 ( 0.219 2.026 -0.056) 2.039 10.917 ( -0.303 1.409 -2.379) 2.781 10.996 ( 2.502 -2.685 0.863) 3.770 11.134 ( -1.309 0.584 -4.067) 4.312 11.470 ( 2.998 0.778 0.178) 3.103 11.586 ( -2.742 1.777 -0.938) 3.399 11.801 ( -0.546 -1.180 2.780) 3.070 11.875 ( -0.652 -3.694 1.306) 3.971 ======================= Grid point 59 (33/48) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -8.723 0.542 4.573) 9.864 0.884 ( 4.255 8.058 3.584) 9.792 0.981 ( -8.020 3.716 5.234) 10.272 1.092 ( -2.738 1.489 3.942) 5.025 1.202 ( 5.359 2.586 1.951) 6.262 1.293 ( -0.233 0.616 -0.946) 1.153 1.353 ( 0.017 2.682 -0.656) 2.761 1.454 ( 0.960 3.824 1.320) 4.158 1.510 ( 1.341 4.870 3.526) 6.160 1.580 ( -2.815 -1.283 5.732) 6.513 1.645 ( -2.146 0.034 4.049) 4.582 1.679 ( -0.609 0.792 -2.842) 3.012 1.698 ( 1.274 5.490 -3.289) 6.525 1.751 ( -1.032 1.334 8.497) 8.662 1.862 ( 0.911 -1.905 1.937) 2.865 1.880 ( 1.313 -0.681 -1.995) 2.484 1.980 ( -0.442 -5.299 -5.272) 7.487 2.022 ( -0.808 3.730 -1.969) 4.294 2.137 ( 2.043 -0.790 -0.857) 2.352 2.190 ( -3.993 3.035 3.081) 5.886 2.207 ( 3.871 -2.619 -3.321) 5.734 2.308 ( 0.606 -0.921 0.567) 1.240 2.354 ( 0.806 -0.766 0.394) 1.180 2.424 ( 1.483 1.053 -0.692) 1.946 2.514 ( 2.255 0.377 -0.884) 2.452 2.573 ( -3.464 -1.077 0.148) 3.631 2.625 ( -5.367 -1.693 -0.063) 5.628 2.649 ( 1.121 -1.386 0.835) 1.968 2.662 ( 1.627 -1.222 -0.424) 2.079 2.768 ( 4.212 0.370 -4.070) 5.869 2.819 ( -0.276 -0.154 1.022) 1.070 2.922 ( 3.280 1.054 2.199) 4.087 2.949 ( -1.009 1.033 -4.055) 4.304 3.030 ( -1.193 0.787 -2.421) 2.811 3.122 ( -1.232 0.228 1.519) 1.969 3.162 ( -3.599 3.188 2.391) 5.370 3.211 ( -0.077 -0.007 0.138) 0.158 3.351 ( -0.900 -1.175 -2.524) 2.926 3.432 ( 0.264 0.429 0.633) 0.809 3.440 ( 1.832 -3.518 2.114) 4.495 3.582 ( -0.375 -1.232 -1.193) 1.756 3.626 ( 1.372 -0.178 -2.336) 2.715 3.670 ( -0.354 -1.469 1.051) 1.840 3.720 ( 0.178 0.979 1.864) 2.113 3.750 ( -0.915 -2.090 -1.723) 2.859 3.817 ( 0.679 -0.037 -1.483) 1.631 4.069 ( -0.280 1.974 -1.828) 2.705 4.115 ( 0.842 2.127 -3.038) 3.803 4.157 ( -3.016 2.267 0.672) 3.832 4.175 ( 3.836 3.179 -0.880) 5.059 4.355 ( 0.227 -0.547 -0.050) 0.594 4.378 ( -0.217 -0.190 0.399) 0.492 4.466 ( -0.215 0.759 0.449) 0.908 4.518 ( 1.161 1.659 -1.536) 2.541 4.598 ( -0.734 -2.108 1.450) 2.662 4.610 ( 0.066 -1.898 1.661) 2.523 4.799 ( 0.700 0.248 1.177) 1.392 4.820 ( 0.193 1.969 2.214) 2.969 4.904 ( 1.053 2.394 -3.279) 4.194 4.913 ( -1.666 -0.900 -0.276) 1.914 4.963 ( -0.613 -0.763 -0.201) 0.999 5.030 ( 0.255 -2.153 -1.664) 2.733 5.088 ( 3.332 -0.329 0.051) 3.348 5.132 ( -1.954 0.940 -1.162) 2.460 5.165 ( -0.906 -0.335 0.127) 0.974 5.200 ( 1.370 -3.642 0.285) 3.902 5.276 ( 0.633 2.758 -1.438) 3.174 5.293 ( 0.728 1.830 -1.367) 2.397 5.719 ( 1.652 -1.208 0.653) 2.148 5.759 ( -3.458 -2.944 -1.114) 4.676 5.891 ( -0.455 1.458 3.903) 4.191 6.043 ( -1.577 1.340 -2.501) 3.246 6.066 ( -0.405 -0.925 1.653) 1.937 6.118 ( 0.002 -0.710 -0.498) 0.867 6.244 ( 2.485 -2.834 2.723) 4.650 6.364 ( -0.237 -1.401 -2.167) 2.591 8.858 ( -0.171 0.144 -0.006) 0.224 8.860 ( 0.712 -0.572 0.918) 1.295 8.902 ( 0.192 -0.305 -1.860) 1.895 8.918 ( 0.247 -0.519 -1.433) 1.543 8.999 ( -1.506 0.257 4.193) 4.462 9.089 ( 0.196 -1.394 1.122) 1.800 9.155 ( 0.102 -0.201 0.239) 0.328 9.176 ( 0.314 0.244 -0.747) 0.846 9.307 ( 1.551 0.669 -1.801) 2.469 9.344 ( -0.190 -0.631 -2.514) 2.599 9.476 ( -3.138 -2.205 1.964) 4.309 9.538 ( 1.986 -2.291 -1.045) 3.208 9.576 ( -1.370 2.588 2.502) 3.851 9.683 ( -0.392 2.633 -3.034) 4.036 10.026 ( -0.186 -0.398 1.056) 1.143 10.050 ( 0.059 -0.016 0.063) 0.088 10.101 ( -0.100 0.712 0.607) 0.941 10.128 ( -0.857 0.669 -0.857) 1.384 10.205 ( 1.052 3.789 1.508) 4.212 10.290 ( 2.470 4.489 -2.421) 5.667 10.315 ( -0.945 0.553 0.830) 1.374 10.386 ( 1.897 -0.123 -2.086) 2.823 10.558 ( -4.906 0.516 2.298) 5.442 10.639 ( 0.624 1.657 -0.486) 1.836 10.847 ( 2.374 -0.061 -0.545) 2.436 10.890 ( 0.740 1.523 -3.645) 4.019 11.059 ( -0.863 -2.158 1.317) 2.671 11.109 ( 2.456 0.681 -2.292) 3.428 11.468 ( -2.075 1.892 1.320) 3.103 11.552 ( 3.045 0.835 -2.379) 3.953 11.836 ( 0.242 -1.927 2.873) 3.468 11.914 ( -2.362 -3.658 0.473) 4.379 ======================= Grid point 62 (34/48) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 7.624 0.000 -3.024) 8.202 0.899 ( 6.304 0.000 -3.946) 7.437 1.080 ( 2.107 0.000 -2.657) 3.390 1.278 ( -11.686 -0.000 1.971) 11.851 1.298 ( -0.469 -0.000 7.804) 7.818 1.358 ( -0.063 -0.000 5.143) 5.143 1.452 ( 4.460 0.000 0.463) 4.484 1.453 ( 1.326 0.000 3.296) 3.553 1.543 ( 8.246 0.000 1.550) 8.391 1.650 ( -0.262 -0.000 0.105) 0.282 1.675 ( 0.741 0.000 1.786) 1.934 1.695 ( 0.456 0.000 -3.452) 3.482 1.762 ( -2.613 -0.000 2.109) 3.358 1.767 ( -1.137 -0.000 4.396) 4.540 1.796 ( -0.171 -0.000 2.120) 2.127 1.891 ( 4.462 0.000 -1.848) 4.830 1.969 ( 0.575 0.000 -2.164) 2.239 1.989 ( 1.281 0.000 -2.752) 3.035 2.053 ( -0.552 -0.000 -0.539) 0.772 2.307 ( -4.672 -0.000 -5.614) 7.304 2.339 ( 2.223 0.000 -0.499) 2.278 2.365 ( 1.860 0.000 0.089) 1.862 2.419 ( 3.980 0.000 0.110) 3.982 2.447 ( -0.685 -0.000 6.049) 6.087 2.471 ( -2.585 -0.000 -2.043) 3.295 2.540 ( -7.430 -0.000 1.678) 7.617 2.556 ( -0.650 -0.000 8.405) 8.430 2.623 ( -3.847 -0.000 0.213) 3.853 2.663 ( 3.443 0.000 -0.042) 3.444 2.711 ( -4.574 -0.000 -0.762) 4.637 2.748 ( 5.071 0.000 -5.329) 7.356 2.842 ( 2.144 0.000 0.596) 2.225 2.918 ( -0.869 -0.000 2.731) 2.865 3.028 ( 5.655 0.000 -7.029) 9.021 3.107 ( 2.622 0.000 -0.437) 2.658 3.168 ( -3.065 -0.000 2.652) 4.054 3.310 ( -4.606 -0.000 -0.706) 4.660 3.313 ( 0.318 0.000 1.211) 1.252 3.375 ( 0.225 0.000 3.381) 3.389 3.463 ( 0.105 0.000 1.006) 1.012 3.571 ( -1.887 -0.000 0.700) 2.013 3.578 ( 0.390 0.000 -2.109) 2.145 3.672 ( -1.964 -0.000 0.386) 2.001 3.704 ( 0.588 0.000 -2.726) 2.789 3.782 ( 3.610 0.000 -2.028) 4.141 3.806 ( -0.843 -0.000 -0.226) 0.873 4.094 ( 0.181 0.000 -2.309) 2.317 4.154 ( -1.069 -0.000 -1.604) 1.927 4.201 ( 3.065 0.000 -0.511) 3.107 4.250 ( 2.782 0.000 0.265) 2.795 4.377 ( 1.084 0.000 -2.458) 2.686 4.415 ( -0.073 -0.000 0.198) 0.211 4.455 ( 1.270 0.000 1.315) 1.828 4.521 ( 0.014 0.000 -0.398) 0.398 4.556 ( -3.464 -0.000 0.914) 3.582 4.604 ( -2.781 -0.000 1.403) 3.115 4.836 ( -0.984 -0.000 -0.419) 1.069 4.862 ( 2.536 0.000 -0.945) 2.706 4.908 ( 0.845 0.000 0.461) 0.963 4.951 ( -0.621 -0.000 0.020) 0.621 4.967 ( -1.486 -0.000 -3.353) 3.668 5.006 ( -1.133 -0.000 -0.662) 1.312 5.062 ( 3.931 0.000 0.861) 4.024 5.104 ( -0.471 -0.000 -0.717) 0.858 5.117 ( -1.710 -0.000 -0.477) 1.776 5.153 ( 0.866 0.000 -0.751) 1.146 5.305 ( 2.911 0.000 -1.607) 3.325 5.336 ( -0.961 -0.000 -1.041) 1.417 5.672 ( 0.791 0.000 -0.905) 1.202 5.719 ( -3.697 -0.000 -0.965) 3.821 5.892 ( 1.609 0.000 5.011) 5.263 6.046 ( -2.695 -0.000 1.311) 2.997 6.064 ( 1.801 0.000 -0.961) 2.042 6.125 ( -0.567 -0.000 1.599) 1.697 6.169 ( -1.081 -0.000 -0.945) 1.436 6.336 ( -1.626 -0.000 -1.286) 2.073 8.815 ( 0.685 0.000 0.972) 1.189 8.861 ( -0.688 -0.000 0.084) 0.693 8.892 ( -0.198 -0.000 -0.338) 0.392 8.935 ( -2.444 -0.000 -1.165) 2.708 8.997 ( -1.232 -0.000 4.426) 4.594 9.066 ( -0.697 -0.000 1.311) 1.485 9.162 ( -0.324 -0.000 0.089) 0.336 9.169 ( 0.488 0.000 -0.647) 0.810 9.336 ( -0.387 -0.000 -1.865) 1.905 9.338 ( 0.738 0.000 -2.505) 2.611 9.386 ( 2.649 0.000 -1.153) 2.889 9.412 ( -0.965 -0.000 0.673) 1.176 9.627 ( 2.906 0.000 2.679) 3.952 9.810 ( -0.604 -0.000 -0.957) 1.132 10.031 ( -2.089 -0.000 0.677) 2.196 10.031 ( 0.891 0.000 -0.698) 1.132 10.122 ( 0.211 0.000 0.507) 0.549 10.134 ( 0.380 0.000 0.147) 0.407 10.272 ( 4.612 0.000 0.866) 4.692 10.312 ( 0.723 0.000 1.746) 1.890 10.357 ( -0.035 -0.000 -1.466) 1.466 10.552 ( 0.276 0.000 -2.175) 2.192 10.553 ( -2.020 -0.000 2.763) 3.423 10.652 ( 4.664 0.000 -4.054) 6.180 10.885 ( 1.420 0.000 1.450) 2.029 10.934 ( -2.883 -0.000 2.202) 3.628 10.950 ( 3.127 0.000 -3.962) 5.048 11.137 ( -0.934 -0.000 -7.258) 7.318 11.485 ( 3.323 0.000 0.379) 3.345 11.609 ( -2.587 -0.000 -1.121) 2.820 11.789 ( -3.642 -0.000 3.251) 4.881 11.812 ( 0.708 0.000 1.384) 1.554 ======================= Grid point 63 (35/48) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -5.370 5.090 -1.159) 7.490 0.947 ( 2.423 0.306 -5.114) 5.667 1.120 ( -0.595 -0.566 1.742) 1.926 1.170 ( -5.236 -3.029 1.516) 6.236 1.298 ( -3.022 0.956 5.027) 5.943 1.324 ( -0.974 6.827 6.542) 9.506 1.449 ( -2.022 5.089 2.534) 6.034 1.495 ( 2.372 1.935 3.856) 4.924 1.559 ( -2.976 -0.202 0.503) 3.025 1.597 ( 0.841 1.005 -0.968) 1.629 1.691 ( -1.103 -3.358 -1.288) 3.762 1.704 ( -1.972 -0.715 0.451) 2.146 1.722 ( 2.836 5.519 1.242) 6.328 1.804 ( 1.693 1.772 1.685) 2.974 1.836 ( 5.712 -0.932 -0.732) 5.834 1.922 ( 3.036 1.109 -4.768) 5.760 1.972 ( 0.711 0.326 -1.460) 1.656 2.046 ( 4.561 -2.061 1.555) 5.241 2.075 ( 1.110 -1.567 0.264) 1.938 2.184 ( -4.945 3.330 -4.159) 7.269 2.325 ( -1.077 3.563 5.127) 6.336 2.341 ( -0.814 4.108 2.201) 4.731 2.386 ( -0.816 2.702 -0.176) 2.828 2.456 ( 0.507 0.968 0.409) 1.167 2.485 ( -3.414 -4.025 2.735) 5.944 2.502 ( 1.385 -1.268 -5.158) 5.489 2.564 ( -4.333 -1.072 5.939) 7.429 2.615 ( -1.797 -3.249 -2.749) 4.620 2.653 ( -2.679 -0.618 -0.049) 2.750 2.737 ( 0.453 -3.398 2.775) 4.411 2.782 ( 5.607 1.252 -4.114) 7.066 2.883 ( 1.959 -1.770 0.601) 2.708 2.938 ( 0.261 -0.631 1.172) 1.356 3.059 ( 2.550 0.516 -4.574) 5.262 3.131 ( -0.121 -0.385 0.192) 0.447 3.174 ( 0.374 -2.158 1.333) 2.564 3.243 ( -3.176 1.802 -1.837) 4.087 3.315 ( 0.745 -0.647 -0.694) 1.206 3.390 ( 0.260 0.123 3.432) 3.444 3.466 ( -0.090 0.782 2.129) 2.270 3.555 ( -0.144 -0.124 1.281) 1.295 3.595 ( 0.329 -1.850 -1.029) 2.142 3.649 ( -0.737 0.143 -0.003) 0.751 3.709 ( 0.741 -0.487 -3.442) 3.554 3.776 ( -0.642 1.709 0.284) 1.848 3.817 ( 1.478 -0.330 -1.929) 2.453 4.091 ( 0.689 0.584 -1.666) 1.895 4.139 ( -0.662 -0.586 -3.066) 3.191 4.222 ( 1.339 0.988 0.350) 1.701 4.242 ( -1.708 1.503 -0.632) 2.362 4.382 ( 2.047 2.078 -0.132) 2.920 4.401 ( -0.496 1.074 -0.250) 1.209 4.472 ( -0.129 0.086 0.769) 0.784 4.513 ( -1.084 -0.499 0.485) 1.288 4.537 ( -0.956 -1.863 1.075) 2.353 4.579 ( -1.563 -0.618 0.082) 1.683 4.820 ( -0.251 0.802 0.936) 1.258 4.883 ( 0.647 1.665 1.530) 2.353 4.900 ( -2.144 0.728 -2.289) 3.219 4.940 ( -1.897 -0.656 -0.216) 2.019 4.953 ( 1.310 -2.533 -0.983) 3.017 4.988 ( 0.900 1.831 -1.402) 2.476 5.093 ( 0.504 0.288 -0.517) 0.777 5.110 ( -0.963 -1.799 -0.208) 2.051 5.124 ( 2.515 -0.853 0.029) 2.656 5.163 ( 1.058 0.389 -2.275) 2.539 5.314 ( 0.241 0.278 -0.762) 0.846 5.328 ( -0.015 0.173 -1.135) 1.148 5.685 ( -2.589 -1.671 -1.205) 3.309 5.695 ( 2.730 -0.573 -1.004) 2.964 5.928 ( 1.619 0.996 4.821) 5.182 6.024 ( -2.416 -0.910 2.010) 3.272 6.075 ( 0.433 -0.015 -1.795) 1.847 6.106 ( -1.601 0.005 -1.041) 1.910 6.196 ( 3.110 -0.807 2.702) 4.198 6.315 ( -1.930 -1.333 -2.032) 3.103 8.836 ( 1.257 -0.653 0.788) 1.621 8.858 ( 0.069 0.030 0.759) 0.763 8.890 ( -0.475 -0.485 -0.449) 0.814 8.904 ( -1.599 -0.400 -1.278) 2.085 8.997 ( -1.549 -0.347 4.316) 4.599 9.065 ( -0.289 -0.150 1.318) 1.357 9.157 ( -0.115 0.220 0.025) 0.250 9.176 ( 0.615 -0.157 -0.702) 0.947 9.324 ( -0.357 -0.097 -2.401) 2.429 9.339 ( 1.691 0.483 -2.018) 2.677 9.407 ( -0.868 -1.078 0.295) 1.416 9.448 ( 3.032 -2.947 -1.328) 4.432 9.666 ( 3.160 2.186 3.312) 5.073 9.765 ( -3.020 2.069 -2.094) 4.217 10.012 ( -1.423 -0.442 0.807) 1.695 10.044 ( 0.853 -0.273 -0.396) 0.979 10.122 ( -0.024 0.555 0.641) 0.848 10.136 ( -0.099 0.011 -0.096) 0.138 10.291 ( -0.043 0.621 1.039) 1.211 10.345 ( -0.041 1.040 -0.010) 1.041 10.358 ( 4.100 1.347 0.850) 4.398 10.454 ( -1.620 5.175 -0.683) 5.466 10.564 ( -4.313 -1.387 -0.769) 4.595 10.677 ( 2.042 0.862 -2.609) 3.424 10.873 ( -1.288 1.241 0.693) 1.918 10.932 ( 2.076 1.169 -1.008) 2.588 10.988 ( 1.241 -1.974 -0.711) 2.438 11.106 ( 0.229 -0.637 -6.036) 6.074 11.517 ( 1.114 1.293 0.910) 1.934 11.568 ( -1.356 0.179 -1.280) 1.874 11.774 ( -1.884 -1.781 3.066) 4.015 11.844 ( 1.320 -1.310 0.908) 2.070 ======================= Grid point 64 (36/48) ======================= q-point: (-0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -12.626 1.204 0.301) 12.687 0.972 ( -12.251 10.629 6.913) 17.632 1.010 ( 4.072 -3.025 -2.930) 5.858 1.121 ( 0.262 3.342 6.611) 7.412 1.259 ( -3.535 0.858 1.927) 4.117 1.309 ( 0.367 -0.521 4.498) 4.543 1.366 ( -1.490 2.593 4.809) 5.663 1.491 ( -1.340 1.215 1.643) 2.444 1.521 ( -3.846 0.898 1.489) 4.221 1.604 ( -1.558 0.076 1.007) 1.856 1.651 ( 1.707 3.730 2.208) 4.659 1.673 ( 0.670 3.666 -2.655) 4.576 1.746 ( 0.560 -2.079 -2.208) 3.084 1.790 ( 1.585 2.784 -1.118) 3.392 1.903 ( 4.416 0.886 -3.270) 5.566 1.937 ( 5.149 2.851 -1.958) 6.203 1.970 ( 0.797 0.083 -3.335) 3.430 2.058 ( 0.584 1.921 0.801) 2.162 2.112 ( 0.168 -1.937 -2.462) 3.137 2.168 ( -0.263 -3.590 2.052) 4.143 2.255 ( 0.121 4.860 7.751) 9.149 2.325 ( 0.041 2.647 0.005) 2.647 2.370 ( 1.827 -1.277 1.463) 2.667 2.440 ( -2.323 -0.584 -2.762) 3.656 2.487 ( -3.089 -1.351 2.649) 4.288 2.523 ( -0.464 -2.040 -0.583) 2.172 2.550 ( -2.407 -0.214 2.823) 3.716 2.592 ( -2.124 -2.001 0.062) 2.918 2.674 ( -0.525 -2.887 -1.410) 3.256 2.762 ( -0.294 -0.037 0.471) 0.557 2.827 ( 2.220 -0.448 -3.064) 3.810 2.915 ( -1.983 -1.828 -0.124) 2.699 2.961 ( 3.342 -0.128 -3.218) 4.641 3.053 ( 1.794 2.037 -1.442) 3.073 3.137 ( 0.701 -0.200 -1.038) 1.269 3.170 ( -1.131 2.851 0.365) 3.089 3.212 ( 0.699 -1.151 0.685) 1.511 3.321 ( 0.008 -0.109 -1.543) 1.547 3.429 ( 0.692 -1.940 3.135) 3.751 3.448 ( -1.481 1.246 2.214) 2.941 3.573 ( 1.204 -0.206 0.158) 1.232 3.620 ( 0.559 -1.478 -0.833) 1.786 3.646 ( -0.795 -0.939 -0.217) 1.250 3.723 ( 1.616 -0.725 -2.447) 3.020 3.746 ( -0.177 1.489 1.597) 2.190 3.819 ( -0.024 0.369 -1.970) 2.004 4.062 ( -1.443 1.044 -1.471) 2.310 4.106 ( -3.678 2.302 -1.392) 4.557 4.195 ( 3.531 0.434 -2.457) 4.324 4.261 ( 3.169 0.635 -0.222) 3.240 4.358 ( -1.440 1.314 -0.311) 1.974 4.387 ( 0.838 1.100 -0.209) 1.399 4.450 ( -2.317 0.003 0.903) 2.487 4.538 ( 1.381 -0.768 -0.603) 1.692 4.568 ( 0.071 -2.100 2.287) 3.105 4.585 ( -0.144 -1.958 0.117) 1.967 4.815 ( -0.195 0.120 1.337) 1.357 4.849 ( -1.258 0.977 0.496) 1.668 4.879 ( -0.542 0.439 0.688) 0.979 4.928 ( -1.508 -1.139 -0.671) 2.005 4.958 ( 1.069 3.163 -3.008) 4.494 4.988 ( -0.381 -1.691 -1.377) 2.214 5.095 ( -0.683 -0.140 0.692) 0.982 5.129 ( -0.951 -0.774 -1.094) 1.643 5.140 ( 0.145 -1.691 -1.516) 2.276 5.181 ( 2.608 -0.461 0.247) 2.660 5.305 ( -0.523 1.600 -1.270) 2.109 5.324 ( 1.368 -0.192 -0.781) 1.587 5.683 ( -1.406 -1.878 -0.607) 2.423 5.742 ( 3.299 -0.491 -0.392) 3.358 5.926 ( -1.141 2.337 4.340) 5.059 6.020 ( -0.412 -0.344 1.575) 1.664 6.066 ( -0.258 0.288 -1.628) 1.673 6.107 ( 0.659 -1.249 -0.046) 1.413 6.255 ( 1.212 -0.875 1.910) 2.425 6.314 ( -0.788 -2.751 -2.300) 3.671 8.854 ( -0.435 -0.014 0.229) 0.492 8.866 ( 0.377 -0.250 0.447) 0.636 8.880 ( -0.752 -0.540 -0.457) 1.032 8.918 ( 2.085 -1.396 -1.948) 3.177 8.996 ( -1.532 -0.074 4.195) 4.467 9.073 ( -0.560 -0.904 1.847) 2.131 9.154 ( -0.061 0.042 -0.032) 0.081 9.181 ( 0.447 0.100 -0.721) 0.854 9.314 ( -0.211 -0.447 -2.621) 2.667 9.352 ( 2.877 1.216 -2.023) 3.721 9.414 ( -1.787 -2.121 1.008) 2.951 9.524 ( 2.379 -2.709 -0.992) 3.739 9.639 ( -1.592 5.516 1.630) 5.968 9.701 ( 0.466 1.722 -0.826) 1.966 10.017 ( -0.004 -1.239 0.973) 1.576 10.054 ( 0.408 0.049 -0.073) 0.417 10.112 ( -0.164 0.804 0.470) 0.946 10.128 ( -0.525 0.436 -0.188) 0.707 10.258 ( -1.745 4.163 0.058) 4.514 10.306 ( -1.796 0.340 0.553) 1.910 10.362 ( 1.844 1.909 -1.674) 3.138 10.437 ( 4.682 1.442 -0.865) 4.975 10.493 ( -6.001 0.297 0.998) 6.090 10.671 ( 0.418 1.297 -0.473) 1.443 10.859 ( 0.458 -0.523 -2.090) 2.202 10.924 ( 1.743 2.454 -2.214) 3.736 11.006 ( -2.540 -1.912 0.632) 3.242 11.132 ( 3.224 -1.572 -3.780) 5.211 11.466 ( -2.903 2.188 0.457) 3.664 11.590 ( 2.754 -0.725 -1.216) 3.096 11.801 ( -1.510 -2.864 2.984) 4.404 11.875 ( 0.777 -0.312 1.107) 1.387 ======================= Grid point 68 (37/48) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -8.710 -0.000 0.434) 8.721 0.843 ( -13.630 -0.000 0.929) 13.661 1.077 ( -0.013 -0.000 -0.013) 0.018 1.145 ( -1.803 -0.000 2.011) 2.701 1.272 ( -2.359 -0.000 1.742) 2.932 1.396 ( -1.518 -0.000 4.990) 5.216 1.501 ( 0.292 0.000 1.716) 1.741 1.515 ( -2.770 -0.000 4.777) 5.522 1.518 ( -5.027 -0.000 2.435) 5.585 1.582 ( -1.850 -0.000 3.706) 4.142 1.654 ( 2.497 0.000 -3.337) 4.167 1.692 ( -1.525 -0.000 -0.822) 1.732 1.807 ( 3.787 0.000 -0.173) 3.791 1.852 ( -2.332 -0.000 2.774) 3.624 1.899 ( 4.619 0.000 -0.382) 4.635 1.936 ( 2.602 0.000 -6.001) 6.541 1.961 ( 2.063 0.000 -4.809) 5.233 2.086 ( 1.002 0.000 -1.857) 2.111 2.106 ( 4.517 0.000 1.877) 4.892 2.127 ( -4.233 -0.000 1.092) 4.371 2.321 ( -3.576 -0.000 2.897) 4.602 2.349 ( -3.290 -0.000 0.687) 3.361 2.400 ( -3.879 -0.000 -0.943) 3.992 2.422 ( 0.513 0.000 1.456) 1.544 2.488 ( 0.612 0.000 -3.663) 3.714 2.496 ( 1.147 0.000 4.548) 4.691 2.522 ( -1.343 -0.000 -0.188) 1.356 2.570 ( -1.527 -0.000 4.331) 4.592 2.613 ( -0.520 -0.000 -0.940) 1.074 2.748 ( 1.006 0.000 2.573) 2.763 2.831 ( 2.977 0.000 -5.629) 6.368 2.861 ( -2.232 -0.000 1.930) 2.951 2.971 ( 2.341 0.000 1.407) 2.731 3.057 ( 1.382 0.000 -7.685) 7.809 3.147 ( -0.158 -0.000 1.587) 1.594 3.164 ( 1.239 0.000 3.002) 3.247 3.234 ( 1.812 0.000 -5.859) 6.133 3.316 ( 0.399 0.000 1.851) 1.893 3.400 ( -0.645 -0.000 2.468) 2.551 3.478 ( -0.640 -0.000 1.729) 1.844 3.572 ( 0.884 0.000 2.748) 2.887 3.580 ( 0.980 0.000 -0.694) 1.201 3.637 ( -0.708 -0.000 0.008) 0.708 3.716 ( 2.225 0.000 -4.063) 4.633 3.783 ( -0.039 -0.000 0.103) 0.110 3.817 ( -0.234 -0.000 -1.676) 1.692 4.108 ( -1.210 -0.000 -1.869) 2.226 4.117 ( 2.427 0.000 -1.557) 2.884 4.217 ( -2.700 -0.000 -1.666) 3.172 4.226 ( -1.522 -0.000 0.571) 1.625 4.378 ( -2.981 -0.000 -0.855) 3.101 4.423 ( 0.600 0.000 -0.033) 0.601 4.478 ( -0.226 -0.000 0.745) 0.779 4.495 ( -1.544 -0.000 -0.004) 1.544 4.519 ( 0.486 0.000 4.381) 4.408 4.570 ( 1.015 0.000 -0.892) 1.352 4.818 ( -1.380 -0.000 1.065) 1.743 4.861 ( -3.463 -0.000 -1.463) 3.759 4.890 ( -2.320 -0.000 0.334) 2.344 4.932 ( 2.020 0.000 0.028) 2.020 4.952 ( 1.436 0.000 0.276) 1.463 5.005 ( 0.546 0.000 -0.874) 1.030 5.080 ( -1.126 -0.000 -1.963) 2.263 5.097 ( 0.921 0.000 -0.906) 1.292 5.161 ( 0.171 0.000 -2.322) 2.329 5.174 ( 3.396 0.000 -0.073) 3.397 5.297 ( -1.083 -0.000 -0.952) 1.442 5.326 ( -0.764 -0.000 -0.382) 0.854 5.653 ( -0.024 -0.000 -0.871) 0.871 5.736 ( 4.528 0.000 -1.032) 4.644 5.962 ( -1.430 -0.000 3.598) 3.872 6.022 ( 2.481 0.000 4.197) 4.876 6.069 ( -0.410 -0.000 -2.757) 2.788 6.084 ( -0.489 -0.000 -0.525) 0.717 6.245 ( 3.533 0.000 2.678) 4.433 6.263 ( -2.866 -0.000 -2.925) 4.095 8.850 ( 0.743 0.000 0.943) 1.200 8.866 ( -1.661 -0.000 0.075) 1.662 8.872 ( 1.510 0.000 1.085) 1.859 8.889 ( 0.360 0.000 -1.793) 1.829 8.990 ( -1.481 -0.000 4.398) 4.640 9.067 ( -0.190 -0.000 1.677) 1.688 9.157 ( -0.086 -0.000 -0.260) 0.274 9.181 ( 0.511 0.000 -0.680) 0.850 9.307 ( -0.452 -0.000 -2.374) 2.417 9.352 ( 1.158 0.000 -0.757) 1.383 9.408 ( 1.026 0.000 -2.093) 2.332 9.463 ( 3.818 0.000 -1.338) 4.045 9.723 ( -4.009 -0.000 -2.323) 4.634 9.741 ( 3.412 0.000 3.527) 4.908 9.995 ( -0.926 -0.000 0.752) 1.192 10.053 ( 0.711 0.000 -0.187) 0.735 10.124 ( -0.578 -0.000 0.659) 0.876 10.134 ( -0.110 -0.000 -0.142) 0.180 10.290 ( -0.617 -0.000 1.135) 1.292 10.338 ( -1.303 -0.000 -1.370) 1.890 10.439 ( 3.563 0.000 3.320) 4.870 10.468 ( -2.963 -0.000 -6.479) 7.124 10.469 ( -5.711 -0.000 3.046) 6.473 10.684 ( -0.180 -0.000 -2.098) 2.106 10.856 ( -1.770 -0.000 0.718) 1.910 10.959 ( -2.103 -0.000 -3.663) 4.224 10.988 ( 3.090 0.000 1.932) 3.645 11.092 ( 2.230 0.000 -6.001) 6.402 11.524 ( -2.956 -0.000 -1.479) 3.305 11.550 ( 0.323 0.000 1.346) 1.385 11.756 ( -0.146 -0.000 2.923) 2.927 11.872 ( 3.486 0.000 0.384) 3.507 ======================= Grid point 69 (38/48) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -6.654 6.367 3.496) 9.850 0.841 ( -7.818 -9.593 3.926) 12.983 1.022 ( -4.944 4.949 4.294) 8.209 1.139 ( -1.261 -3.077 2.785) 4.338 1.254 ( -1.509 0.282 -1.139) 1.911 1.308 ( -3.721 6.523 5.257) 9.166 1.433 ( -3.785 2.780 3.502) 5.858 1.491 ( -1.003 2.958 3.370) 4.595 1.527 ( 0.578 -0.120 1.036) 1.192 1.559 ( -2.990 -0.558 2.299) 3.813 1.647 ( -2.501 0.589 -0.442) 2.607 1.713 ( 1.866 -2.319 -1.546) 3.354 1.770 ( -9.500 -4.331 3.128) 10.899 1.835 ( 2.367 8.534 -1.384) 8.963 1.866 ( -1.633 -2.603 -0.976) 3.224 1.990 ( 4.942 1.125 -2.350) 5.587 2.009 ( 2.535 -0.331 -5.485) 6.052 2.065 ( 0.325 2.362 -0.723) 2.491 2.119 ( -0.002 -1.593 4.884) 5.137 2.151 ( 1.491 0.075 -3.140) 3.476 2.301 ( -5.892 0.008 -0.820) 5.949 2.303 ( -0.040 0.970 1.269) 1.597 2.356 ( 0.185 -2.061 -0.377) 2.104 2.418 ( 0.123 -0.489 -2.610) 2.659 2.470 ( -2.603 0.997 0.701) 2.875 2.523 ( 2.658 1.662 3.397) 4.622 2.532 ( 0.495 -1.407 0.662) 1.632 2.583 ( 1.218 -0.759 2.834) 3.177 2.637 ( 1.418 -0.384 0.901) 1.723 2.762 ( 0.001 -0.925 0.811) 1.230 2.831 ( -0.488 0.129 -2.366) 2.420 2.856 ( -1.996 -2.627 0.778) 3.389 2.999 ( 2.988 0.448 -2.853) 4.156 3.048 ( -0.124 -1.236 -6.075) 6.201 3.144 ( -0.365 0.139 1.651) 1.697 3.187 ( -0.435 0.783 3.226) 3.348 3.248 ( 4.794 1.712 -2.939) 5.878 3.334 ( 1.802 0.232 -0.491) 1.882 3.411 ( -0.698 -1.605 1.866) 2.558 3.449 ( -2.667 1.391 1.890) 3.553 3.593 ( 1.533 -0.247 -0.744) 1.721 3.610 ( 1.297 -1.227 0.807) 1.959 3.634 ( 0.043 0.132 0.604) 0.620 3.732 ( 1.230 -0.156 -2.732) 3.000 3.775 ( 1.018 1.414 0.190) 1.753 3.805 ( -0.946 -0.270 -1.256) 1.595 4.057 ( -2.123 2.305 -0.958) 3.276 4.108 ( -1.117 3.155 -1.704) 3.756 4.200 ( 0.732 -2.866 -1.896) 3.514 4.242 ( -1.871 -4.234 -0.593) 4.667 4.342 ( -0.768 0.495 -1.062) 1.401 4.417 ( 0.061 0.560 0.228) 0.608 4.441 ( -1.601 2.398 0.573) 2.939 4.510 ( -1.282 -2.921 -0.034) 3.191 4.557 ( 1.088 -0.973 4.678) 4.900 4.590 ( 1.939 -0.076 -0.411) 1.984 4.800 ( -1.602 -0.246 0.504) 1.697 4.823 ( -2.664 -0.694 0.061) 2.753 4.870 ( -0.790 -0.185 0.196) 0.835 4.938 ( 1.499 1.534 0.393) 2.180 4.975 ( 0.507 0.096 -0.602) 0.793 4.997 ( 0.754 1.576 -2.258) 2.855 5.068 ( -1.370 -1.821 0.207) 2.288 5.108 ( -0.501 -1.093 -2.617) 2.880 5.141 ( 1.986 2.253 -0.475) 3.041 5.218 ( 2.458 -0.257 -0.150) 2.476 5.290 ( -1.554 -0.495 -1.265) 2.064 5.313 ( -0.915 -1.219 -0.086) 1.527 5.665 ( 1.048 -0.476 -0.269) 1.182 5.791 ( 4.323 0.330 -0.564) 4.373 5.935 ( -2.962 1.163 2.973) 4.355 6.045 ( -0.017 0.594 -2.520) 2.589 6.075 ( 2.802 1.023 3.018) 4.243 6.104 ( 2.174 -0.921 1.134) 2.619 6.220 ( -3.354 -1.099 -3.077) 4.683 6.303 ( 2.600 -1.193 1.873) 3.419 8.849 ( -0.682 0.273 0.395) 0.834 8.860 ( -0.028 -0.220 0.289) 0.364 8.883 ( 0.770 0.301 -0.298) 0.879 8.915 ( 1.847 -1.689 -1.385) 2.860 8.992 ( -1.109 -0.233 4.451) 4.593 9.071 ( -0.269 0.202 2.268) 2.293 9.154 ( -0.071 0.109 -0.327) 0.352 9.183 ( 0.072 -0.068 -0.704) 0.711 9.297 ( -0.067 -0.262 -2.352) 2.367 9.376 ( 0.145 -1.723 -0.127) 1.733 9.407 ( 2.764 1.525 -2.347) 3.934 9.522 ( 2.894 -1.740 -1.335) 3.632 9.655 ( -2.521 1.773 -2.207) 3.791 9.760 ( 1.103 3.595 2.309) 4.413 10.002 ( 0.190 -1.535 0.788) 1.735 10.057 ( -0.093 -0.003 0.230) 0.248 10.118 ( -0.785 -0.212 0.624) 1.025 10.126 ( -0.085 0.962 -0.418) 1.052 10.270 ( -4.338 3.078 -2.719) 5.973 10.286 ( -1.154 -0.127 0.895) 1.466 10.384 ( -1.855 0.889 -0.365) 2.089 10.415 ( -4.508 -0.446 0.114) 4.532 10.503 ( 2.971 -0.359 0.784) 3.094 10.676 ( 0.057 -0.192 -1.198) 1.214 10.843 ( -0.425 -0.141 -1.602) 1.664 10.915 ( -3.470 -1.201 -1.513) 3.972 11.009 ( 1.942 2.284 0.551) 3.048 11.119 ( 1.246 -2.452 -3.366) 4.347 11.464 ( -1.734 2.190 -0.727) 2.886 11.572 ( -1.278 -2.838 0.508) 3.154 11.781 ( 0.884 -0.673 2.701) 2.920 11.917 ( 3.680 1.197 0.179) 3.874 ======================= Grid point 74 (39/48) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -4.150 -0.000 6.268) 7.517 0.718 ( -0.024 -0.000 13.122) 13.122 1.060 ( 0.754 0.000 1.026) 1.273 1.062 ( -3.951 -0.000 4.347) 5.874 1.244 ( -0.201 -0.000 -4.027) 4.032 1.292 ( -6.988 -0.000 3.145) 7.663 1.425 ( -4.183 -0.000 -1.554) 4.462 1.461 ( -11.558 -0.000 0.465) 11.568 1.502 ( -3.355 -0.000 7.268) 8.005 1.562 ( 0.742 0.000 3.388) 3.468 1.597 ( -3.566 -0.000 1.746) 3.970 1.621 ( -3.731 -0.000 10.219) 10.879 1.706 ( 0.204 0.000 -1.094) 1.112 1.811 ( -4.491 -0.000 -1.017) 4.604 1.957 ( 2.732 0.000 -2.353) 3.606 1.981 ( 2.705 0.000 0.833) 2.830 2.041 ( -2.002 -0.000 -3.412) 3.956 2.095 ( 1.383 0.000 -2.428) 2.795 2.131 ( 1.960 0.000 0.227) 1.973 2.135 ( -1.805 -0.000 -3.733) 4.146 2.212 ( -3.017 -0.000 -5.190) 6.003 2.332 ( 0.726 0.000 3.904) 3.971 2.363 ( 2.969 0.000 -0.011) 2.969 2.385 ( 0.472 0.000 -4.473) 4.498 2.474 ( -1.860 -0.000 -1.024) 2.123 2.525 ( 3.236 0.000 -0.264) 3.246 2.593 ( 4.350 0.000 0.745) 4.413 2.605 ( 1.411 0.000 1.099) 1.788 2.692 ( 3.690 0.000 2.998) 4.754 2.745 ( -0.906 -0.000 1.035) 1.376 2.800 ( -3.218 -0.000 -0.413) 3.244 2.816 ( -1.744 -0.000 2.898) 3.383 3.005 ( -0.700 -0.000 -8.446) 8.475 3.015 ( 1.048 0.000 -2.458) 2.672 3.139 ( -1.727 -0.000 3.488) 3.892 3.188 ( -2.522 -0.000 2.199) 3.346 3.337 ( -1.652 -0.000 3.857) 4.196 3.345 ( 5.704 0.000 -3.103) 6.494 3.419 ( -3.690 -0.000 0.449) 3.718 3.422 ( 5.645 0.000 -2.108) 6.026 3.604 ( 1.471 0.000 -2.509) 2.909 3.624 ( 1.253 0.000 -0.343) 1.299 3.647 ( 0.873 0.000 1.581) 1.806 3.714 ( -2.053 -0.000 -0.861) 2.226 3.803 ( 1.725 0.000 -0.625) 1.835 3.805 ( 1.455 0.000 -0.735) 1.630 4.052 ( -2.467 -0.000 -1.283) 2.781 4.125 ( -1.865 -0.000 -2.858) 3.413 4.142 ( -3.519 -0.000 1.276) 3.743 4.152 ( -1.251 -0.000 -1.673) 2.089 4.360 ( 2.646 0.000 -0.798) 2.763 4.408 ( -1.054 -0.000 1.152) 1.561 4.449 ( -1.588 -0.000 -0.223) 1.604 4.469 ( -1.365 -0.000 0.642) 1.508 4.584 ( 0.840 0.000 4.747) 4.821 4.614 ( 2.023 0.000 0.001) 2.023 4.783 ( -1.007 -0.000 1.168) 1.542 4.793 ( -1.006 -0.000 0.104) 1.011 4.859 ( -0.373 -0.000 -0.480) 0.608 4.969 ( 1.292 0.000 -0.462) 1.372 5.001 ( 1.599 0.000 1.665) 2.309 5.004 ( 0.378 0.000 -1.521) 1.567 5.028 ( -1.528 -0.000 0.247) 1.548 5.089 ( 0.398 0.000 -2.139) 2.175 5.197 ( 2.026 0.000 -1.255) 2.383 5.229 ( 1.264 0.000 -1.274) 1.795 5.272 ( -0.421 -0.000 -1.328) 1.394 5.274 ( -2.663 -0.000 0.698) 2.753 5.684 ( 1.878 0.000 0.525) 1.950 5.843 ( 2.913 0.000 0.387) 2.939 5.915 ( -2.914 -0.000 1.311) 3.195 6.027 ( -0.391 -0.000 -3.360) 3.383 6.102 ( 1.323 0.000 -0.036) 1.323 6.153 ( -3.808 -0.000 -1.407) 4.060 6.198 ( 7.302 0.000 3.081) 7.925 6.325 ( 1.146 0.000 1.224) 1.677 8.849 ( 0.049 0.000 0.588) 0.590 8.861 ( -0.480 -0.000 1.203) 1.295 8.890 ( 0.885 0.000 -2.624) 2.769 8.919 ( 1.102 0.000 -0.090) 1.105 8.994 ( -0.912 -0.000 4.486) 4.578 9.084 ( 0.455 0.000 2.245) 2.290 9.153 ( 0.076 0.000 -0.374) 0.382 9.177 ( -0.278 -0.000 -0.641) 0.698 9.290 ( 0.468 0.000 -1.866) 1.924 9.363 ( 0.131 0.000 -1.148) 1.155 9.442 ( 2.249 0.000 -1.310) 2.603 9.545 ( 3.023 0.000 -2.177) 3.725 9.634 ( -0.633 -0.000 -2.577) 2.653 9.794 ( -2.238 -0.000 -0.984) 2.445 9.993 ( 0.396 0.000 0.707) 0.810 10.057 ( -0.060 -0.000 0.681) 0.683 10.105 ( -1.029 -0.000 0.604) 1.193 10.131 ( -0.454 -0.000 -0.803) 0.922 10.209 ( -5.674 -0.000 -3.934) 6.904 10.262 ( -3.888 -0.000 1.603) 4.206 10.332 ( -3.408 -0.000 2.240) 4.078 10.387 ( -0.189 -0.000 -2.857) 2.864 10.530 ( 0.983 0.000 3.581) 3.713 10.672 ( 0.274 0.000 -2.088) 2.105 10.841 ( 0.454 0.000 -1.162) 1.248 10.851 ( -2.753 -0.000 -0.302) 2.769 11.059 ( 1.124 0.000 1.593) 1.949 11.086 ( -0.719 -0.000 -1.601) 1.755 11.473 ( 1.034 0.000 -2.634) 2.830 11.516 ( -3.466 -0.000 2.328) 4.175 11.808 ( 1.898 0.000 2.488) 3.129 11.980 ( 4.057 0.000 -1.371) 4.282 ======================= Grid point 75 (40/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -12.164 -0.000 -2.448) 12.407 0.916 ( 12.164 0.000 2.448) 12.407 1.078 ( -4.493 -0.000 -0.032) 4.494 1.078 ( 4.493 0.000 0.032) 4.494 1.194 ( -0.085 -0.000 -7.861) 7.861 1.194 ( 0.085 0.000 7.861) 7.861 1.278 ( 1.147 0.000 -3.356) 3.547 1.278 ( -1.147 -0.000 3.356) 3.547 1.548 ( -0.728 -0.000 -2.469) 2.574 1.548 ( 0.728 0.000 2.469) 2.574 1.609 ( -0.678 -0.000 0.187) 0.703 1.609 ( 0.678 0.000 -0.187) 0.703 1.808 ( -2.080 -0.000 -2.489) 3.244 1.808 ( 2.080 0.000 2.489) 3.244 1.891 ( -4.067 -0.000 -3.591) 5.425 1.891 ( 4.067 0.000 3.591) 5.425 2.016 ( 3.760 0.000 -1.491) 4.045 2.016 ( -3.760 -0.000 1.491) 4.045 2.148 ( -2.781 -0.000 0.207) 2.789 2.148 ( 2.781 0.000 -0.207) 2.789 2.344 ( -3.312 -0.000 1.036) 3.470 2.344 ( 3.312 0.000 -1.036) 3.470 2.364 ( 5.580 0.000 -11.922) 13.164 2.364 ( -5.580 -0.000 11.922) 13.164 2.541 ( -0.549 -0.000 -4.350) 4.384 2.541 ( 0.549 0.000 4.350) 4.384 2.604 ( -3.332 -0.000 0.996) 3.478 2.604 ( 3.332 0.000 -0.996) 3.478 2.740 ( 4.344 0.000 -7.121) 8.342 2.740 ( -4.344 -0.000 7.121) 8.342 2.781 ( 2.199 0.000 -2.161) 3.083 2.781 ( -2.199 -0.000 2.161) 3.083 2.916 ( -2.215 -0.000 -2.216) 3.133 2.916 ( 2.215 0.000 2.216) 3.133 3.170 ( 2.724 0.000 -1.718) 3.220 3.170 ( -2.724 -0.000 1.718) 3.220 3.351 ( 3.418 0.000 -3.787) 5.101 3.351 ( -3.418 -0.000 3.787) 5.101 3.400 ( 3.655 0.000 -6.166) 7.168 3.400 ( -3.655 -0.000 6.166) 7.168 3.585 ( -0.771 -0.000 0.054) 0.773 3.585 ( 0.771 0.000 -0.054) 0.773 3.766 ( -1.599 -0.000 0.241) 1.618 3.766 ( 1.599 0.000 -0.241) 1.618 3.769 ( 0.155 0.000 -0.304) 0.341 3.769 ( -0.155 -0.000 0.304) 0.341 4.025 ( -0.762 -0.000 -1.262) 1.474 4.025 ( 0.762 0.000 1.262) 1.474 4.119 ( 0.143 0.000 -0.304) 0.337 4.119 ( -0.143 -0.000 0.304) 0.337 4.403 ( 1.328 0.000 -0.479) 1.412 4.403 ( -1.328 -0.000 0.479) 1.412 4.440 ( -1.969 -0.000 0.625) 2.066 4.440 ( 1.969 0.000 -0.625) 2.066 4.657 ( 0.876 0.000 -0.821) 1.201 4.657 ( -0.876 -0.000 0.821) 1.201 4.825 ( -0.578 -0.000 -1.168) 1.303 4.825 ( 0.578 0.000 1.168) 1.303 4.874 ( -1.358 -0.000 -4.076) 4.296 4.874 ( 1.358 0.000 4.076) 4.296 5.039 ( -0.366 -0.000 -0.647) 0.743 5.039 ( 0.366 0.000 0.647) 0.743 5.098 ( -2.812 -0.000 -0.658) 2.888 5.098 ( 2.812 0.000 0.658) 2.888 5.147 ( -0.891 -0.000 -1.711) 1.930 5.147 ( 0.891 0.000 1.711) 1.930 5.269 ( 0.001 0.000 -0.111) 0.111 5.269 ( -0.001 -0.000 0.111) 0.111 5.777 ( -2.828 -0.000 -1.631) 3.264 5.777 ( 2.828 0.000 1.631) 3.264 5.944 ( 1.553 0.000 -3.657) 3.973 5.944 ( -1.553 -0.000 3.657) 3.973 6.116 ( 0.492 0.000 -0.962) 1.081 6.116 ( -0.492 -0.000 0.962) 1.081 6.330 ( 2.348 0.000 -0.960) 2.537 6.330 ( -2.348 -0.000 0.960) 2.537 8.860 ( 1.388 0.000 -0.938) 1.675 8.860 ( -1.388 -0.000 0.938) 1.675 8.903 ( -1.400 -0.000 -0.506) 1.488 8.903 ( 1.400 0.000 0.506) 1.488 9.077 ( 1.178 0.000 -3.224) 3.432 9.077 ( -1.178 -0.000 3.224) 3.432 9.164 ( 0.301 0.000 -0.113) 0.322 9.164 ( -0.301 -0.000 0.113) 0.322 9.308 ( -0.472 -0.000 -1.730) 1.793 9.308 ( 0.472 0.000 1.730) 1.793 9.498 ( -1.371 -0.000 -1.639) 2.137 9.498 ( 1.371 0.000 1.639) 2.137 9.625 ( 4.739 0.000 -1.680) 5.028 9.625 ( -4.739 -0.000 1.680) 5.028 10.045 ( -1.774 -0.000 -0.555) 1.859 10.045 ( 1.774 0.000 0.555) 1.859 10.099 ( -0.011 -0.000 -0.565) 0.565 10.099 ( 0.011 0.000 0.565) 0.565 10.177 ( -4.304 -0.000 0.594) 4.345 10.177 ( 4.304 0.000 -0.594) 4.345 10.346 ( 1.129 0.000 -2.268) 2.534 10.346 ( -1.129 -0.000 2.268) 2.534 10.612 ( -0.515 -0.000 -1.074) 1.191 10.612 ( 0.515 0.000 1.074) 1.191 10.830 ( 0.407 0.000 -0.949) 1.033 10.830 ( -0.407 -0.000 0.949) 1.033 11.097 ( 1.708 0.000 -1.220) 2.099 11.097 ( -1.708 -0.000 1.220) 2.099 11.479 ( 4.318 0.000 -2.551) 5.015 11.479 ( -4.318 -0.000 2.551) 5.015 11.930 ( -1.256 -0.000 -3.130) 3.373 11.930 ( 1.256 0.000 3.130) 3.373 ======================= Grid point 77 (41/48) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -11.063 2.827 -0.190) 11.420 0.970 ( -5.878 0.076 -0.361) 5.890 1.054 ( 7.628 2.579 3.221) 8.672 1.117 ( 3.924 -0.720 -0.924) 4.095 1.205 ( 1.340 -3.695 -8.277) 9.163 1.269 ( 0.501 -3.259 2.735) 4.284 1.307 ( 3.385 -3.290 2.049) 5.146 1.379 ( 4.647 -4.955 0.998) 6.866 1.554 ( 1.853 -0.318 -2.841) 3.407 1.580 ( 1.384 -0.712 1.653) 2.271 1.600 ( 0.033 0.595 0.630) 0.867 1.646 ( 2.420 -1.753 -0.063) 2.989 1.756 ( -4.599 1.961 2.161) 5.447 1.839 ( 1.647 -1.853 -0.599) 2.551 1.867 ( 0.035 -0.689 5.941) 5.980 1.917 ( -3.701 3.228 -1.549) 5.150 1.950 ( 3.646 3.597 2.620) 5.753 2.009 ( 1.007 2.212 -2.168) 3.257 2.113 ( -2.891 -0.084 -2.193) 3.629 2.184 ( 2.431 -0.310 -2.143) 3.256 2.315 ( -1.481 -1.378 -1.215) 2.360 2.340 ( -3.608 -1.125 4.581) 5.939 2.379 ( 1.834 1.456 -1.557) 2.812 2.413 ( 6.139 -1.053 -7.960) 10.107 2.497 ( -1.197 0.919 -1.899) 2.426 2.533 ( -0.924 1.332 -0.989) 1.899 2.596 ( -1.413 -0.779 2.114) 2.659 2.657 ( 2.355 -1.943 -1.468) 3.388 2.712 ( -2.147 1.078 8.965) 9.281 2.744 ( 1.742 2.135 -0.269) 2.768 2.775 ( -0.457 -2.383 -0.666) 2.517 2.791 ( -0.904 -0.706 -1.548) 1.926 2.927 ( 0.139 -3.264 -2.947) 4.400 2.980 ( 2.146 -2.745 1.206) 3.687 3.151 ( -2.019 0.131 1.963) 2.819 3.212 ( 2.804 -1.110 -1.710) 3.467 3.260 ( -6.087 4.241 7.706) 10.697 3.344 ( 2.457 3.792 -2.017) 4.948 3.399 ( -1.256 -1.779 1.130) 2.453 3.460 ( 3.457 -2.363 -3.488) 5.450 3.577 ( -0.821 -0.130 1.344) 1.580 3.589 ( -0.179 -0.104 -0.568) 0.605 3.714 ( -1.993 1.941 -1.559) 3.189 3.753 ( -0.078 0.591 -0.975) 1.143 3.763 ( -0.685 0.842 0.431) 1.168 3.786 ( 0.408 0.376 2.140) 2.211 4.021 ( 0.082 0.020 -0.855) 0.859 4.062 ( 0.556 -0.505 0.163) 0.769 4.126 ( 1.725 -1.747 -0.080) 2.457 4.164 ( 2.799 -3.662 -0.284) 4.618 4.366 ( -1.743 1.474 0.337) 2.307 4.397 ( 1.363 1.866 -0.046) 2.311 4.444 ( -1.248 -1.807 0.001) 2.196 4.483 ( 1.587 -1.604 -0.646) 2.347 4.636 ( -1.100 1.267 0.013) 1.679 4.654 ( 0.490 0.908 -0.973) 1.418 4.817 ( -0.434 -0.367 -1.675) 1.769 4.838 ( -0.350 -0.885 0.036) 0.952 4.851 ( 0.556 -0.061 -2.326) 2.392 4.909 ( 1.852 0.063 3.416) 3.886 5.000 ( -3.304 2.025 1.626) 4.203 5.012 ( -0.285 2.970 -2.073) 3.633 5.063 ( -1.379 -0.435 -0.582) 1.559 5.115 ( -0.165 -1.750 -0.660) 1.878 5.169 ( -1.043 -0.124 1.119) 1.534 5.197 ( 2.634 -2.584 -0.658) 3.748 5.253 ( -0.840 1.498 0.456) 1.777 5.277 ( 1.716 -1.057 -0.375) 2.050 5.725 ( -2.696 1.153 -0.674) 3.009 5.798 ( 1.277 1.802 2.121) 3.062 5.954 ( -0.801 -1.641 3.671) 4.100 5.957 ( 1.274 -0.719 -3.135) 3.460 6.102 ( -0.528 1.044 0.444) 1.251 6.124 ( 0.979 -0.096 -0.226) 1.009 6.281 ( -3.662 1.551 -1.114) 4.130 6.347 ( 1.011 0.210 0.144) 1.043 8.848 ( -1.208 -0.212 1.012) 1.590 8.877 ( 0.976 -0.396 -0.250) 1.082 8.879 ( -1.031 0.623 -1.018) 1.578 8.917 ( 1.288 0.517 -0.256) 1.412 9.072 ( -0.921 0.172 2.379) 2.557 9.080 ( 0.721 -0.065 -2.426) 2.532 9.160 ( -0.250 0.104 -0.117) 0.295 9.168 ( 0.345 -0.078 -0.172) 0.393 9.291 ( -0.458 0.630 -1.628) 1.805 9.321 ( 0.897 0.096 1.482) 1.735 9.472 ( -4.210 -1.421 0.654) 4.491 9.520 ( -0.601 -1.326 1.469) 2.068 9.588 ( -1.390 0.023 1.905) 2.358 9.680 ( 5.763 1.672 -0.661) 6.037 10.032 ( -0.727 -1.149 -0.572) 1.475 10.060 ( 0.701 0.529 0.068) 0.881 10.101 ( 0.263 0.026 -0.024) 0.266 10.121 ( 1.688 -0.498 0.995) 2.022 10.150 ( -2.007 -1.783 -0.652) 2.763 10.256 ( 5.178 -2.016 -1.451) 5.743 10.336 ( -0.582 0.446 1.374) 1.557 10.357 ( 1.653 -0.439 -1.654) 2.379 10.587 ( -2.187 1.364 1.039) 2.779 10.632 ( 1.200 -0.988 0.257) 1.575 10.825 ( 0.021 0.209 -0.972) 0.995 10.850 ( 1.531 -1.399 -0.121) 2.078 11.063 ( -2.639 1.444 0.542) 3.057 11.112 ( 1.209 -0.358 -1.343) 1.842 11.444 ( -2.719 -0.446 1.520) 3.147 11.538 ( 4.570 -1.272 -2.368) 5.302 11.885 ( -2.381 1.039 -1.971) 3.261 11.933 ( -0.828 1.506 3.166) 3.602 ======================= Grid point 78 (42/48) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -6.387 3.895 0.155) 7.482 0.968 ( -1.945 -4.074 3.051) 5.449 1.072 ( 1.579 2.188 -1.986) 3.350 1.184 ( 2.931 -1.402 0.660) 3.315 1.224 ( -0.317 0.272 -2.152) 2.192 1.334 ( 3.250 -3.266 -3.382) 5.716 1.402 ( 2.373 -1.501 0.895) 2.947 1.497 ( 3.517 -4.136 -0.091) 5.429 1.544 ( -1.038 1.564 0.994) 2.124 1.567 ( -2.231 0.162 -0.295) 2.256 1.604 ( -1.896 2.540 3.195) 4.501 1.666 ( -1.094 -0.572 -0.138) 1.242 1.716 ( 0.330 0.472 1.364) 1.480 1.823 ( -0.969 1.520 2.391) 2.995 1.900 ( 2.044 -0.596 0.381) 2.163 1.935 ( 2.231 1.362 -2.470) 3.597 1.948 ( 4.483 -1.022 0.751) 4.659 2.028 ( 0.819 -1.879 1.983) 2.852 2.049 ( -3.621 1.089 -2.231) 4.390 2.204 ( 1.054 -1.015 -1.251) 1.925 2.302 ( -2.143 2.989 -0.923) 3.791 2.316 ( -1.070 -0.229 -0.670) 1.283 2.364 ( 0.234 -0.748 -0.513) 0.937 2.463 ( -0.089 0.438 0.623) 0.767 2.482 ( -0.338 0.433 -4.903) 4.934 2.527 ( 4.605 -1.467 -1.678) 5.116 2.565 ( -2.554 0.621 1.466) 3.010 2.686 ( 0.656 -0.330 -2.094) 2.219 2.744 ( 2.776 0.487 4.423) 5.244 2.767 ( 1.943 -0.061 0.356) 1.976 2.777 ( -2.673 -1.686 1.755) 3.615 2.810 ( 0.656 -1.902 -0.249) 2.027 2.921 ( -3.239 0.413 0.070) 3.266 3.009 ( -1.417 0.050 0.001) 1.418 3.135 ( -0.981 -1.179 1.670) 2.267 3.195 ( -0.278 1.761 2.048) 2.715 3.233 ( 0.033 0.086 -1.214) 1.218 3.319 ( 1.062 1.684 -0.512) 2.056 3.418 ( 0.378 -0.877 0.327) 1.010 3.514 ( 1.791 -1.520 -1.850) 2.990 3.573 ( -0.349 0.262 1.152) 1.231 3.583 ( -0.543 0.099 -0.056) 0.555 3.669 ( -0.810 0.992 -0.404) 1.343 3.737 ( -0.592 0.928 0.964) 1.463 3.754 ( 0.224 -0.365 -1.155) 1.232 3.793 ( 0.258 0.038 0.660) 0.710 4.021 ( 0.551 -0.002 -0.809) 0.978 4.046 ( -1.303 0.520 0.698) 1.567 4.185 ( 2.031 -1.298 -0.072) 2.411 4.264 ( 2.662 -3.517 0.009) 4.411 4.327 ( -1.648 0.730 0.066) 1.804 4.392 ( 1.061 1.476 -0.329) 1.847 4.437 ( -1.552 -0.154 0.159) 1.568 4.521 ( 1.582 -1.591 -0.355) 2.272 4.602 ( -0.874 1.406 -0.335) 1.689 4.646 ( 0.182 0.532 -0.375) 0.676 4.805 ( -0.463 0.083 -0.898) 1.014 4.860 ( 1.128 -2.671 -1.693) 3.358 4.866 ( 0.749 -0.329 0.122) 0.827 4.923 ( -2.099 3.156 1.208) 3.978 4.942 ( 0.415 0.137 2.092) 2.137 4.968 ( -0.981 0.946 -1.105) 1.755 5.053 ( -0.521 -0.003 -0.548) 0.756 5.117 ( -0.970 0.573 0.102) 1.131 5.162 ( 0.225 -1.456 -0.574) 1.581 5.218 ( -1.181 1.464 1.112) 2.185 5.253 ( 1.503 -1.121 -0.540) 1.951 5.321 ( 1.257 -1.216 -0.245) 1.766 5.683 ( -1.134 0.664 -0.133) 1.321 5.788 ( 0.159 1.151 1.032) 1.555 5.969 ( 1.815 -0.103 -3.631) 4.060 5.976 ( -1.844 -1.141 3.925) 4.484 6.104 ( 1.411 -0.602 1.551) 2.181 6.136 ( 0.682 0.469 0.267) 0.869 6.199 ( -3.318 1.599 -2.657) 4.542 6.353 ( 0.177 0.164 0.377) 0.448 8.843 ( -0.557 -0.292 0.828) 1.040 8.856 ( -0.381 0.628 -0.914) 1.172 8.891 ( 0.303 -0.265 0.142) 0.427 8.922 ( 0.584 0.341 -0.347) 0.760 9.070 ( -0.359 0.069 2.018) 2.051 9.076 ( 0.082 0.100 -2.092) 2.096 9.156 ( -0.072 0.049 -0.124) 0.151 9.173 ( 0.172 -0.064 -0.042) 0.188 9.275 ( -0.160 0.275 -0.677) 0.748 9.340 ( 1.117 -0.102 0.706) 1.325 9.436 ( -2.870 -0.342 0.666) 2.967 9.528 ( -0.197 -0.355 0.083) 0.414 9.593 ( -0.451 -0.799 1.152) 1.473 9.715 ( 2.580 1.128 -0.001) 2.816 10.045 ( -0.094 -1.034 -0.141) 1.048 10.059 ( 0.422 0.407 -0.012) 0.587 10.104 ( 0.200 -0.017 -0.014) 0.201 10.135 ( -0.058 0.124 0.444) 0.464 10.168 ( 0.459 -1.450 -0.365) 1.564 10.291 ( -0.228 0.153 -0.579) 0.640 10.348 ( 0.688 -0.227 0.500) 0.880 10.409 ( 4.162 -1.782 -1.835) 4.886 10.532 ( -3.057 1.694 1.785) 3.924 10.659 ( 0.542 -0.661 0.124) 0.864 10.822 ( 0.247 -0.002 -0.762) 0.801 10.901 ( 2.237 -1.919 -0.126) 2.950 11.001 ( -2.613 2.024 0.172) 3.310 11.125 ( 0.476 -0.254 -0.586) 0.796 11.429 ( -0.877 -0.166 0.401) 0.979 11.596 ( 2.149 -0.987 -0.989) 2.563 11.846 ( -0.923 0.314 -0.865) 1.303 11.903 ( -1.197 1.344 1.632) 2.430 ======================= Grid point 82 (43/48) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -0.585 -0.000 -1.930) 2.017 0.875 ( -6.822 -0.000 -1.460) 6.976 1.091 ( -0.789 -0.000 -0.607) 0.995 1.194 ( 4.770 0.000 -5.656) 7.399 1.218 ( 8.468 0.000 -4.058) 9.390 1.304 ( 4.562 0.000 4.325) 6.286 1.382 ( 5.421 0.000 0.075) 5.422 1.397 ( 6.348 0.000 4.515) 7.790 1.546 ( -2.240 -0.000 -0.257) 2.254 1.612 ( 1.118 0.000 -0.794) 1.371 1.644 ( 4.902 0.000 -2.904) 5.697 1.652 ( 1.670 0.000 1.750) 2.419 1.773 ( 0.402 0.000 7.650) 7.661 1.826 ( 1.968 0.000 -2.431) 3.128 1.891 ( -2.590 -0.000 -3.095) 4.036 1.892 ( -0.410 -0.000 10.838) 10.846 1.987 ( -3.821 -0.000 -3.369) 5.094 2.013 ( -2.187 -0.000 6.175) 6.551 2.075 ( -0.807 -0.000 -2.240) 2.381 2.196 ( 2.056 0.000 -5.550) 5.919 2.296 ( 2.266 0.000 -2.912) 3.690 2.312 ( -1.520 -0.000 4.410) 4.665 2.413 ( 1.079 0.000 -3.364) 3.533 2.444 ( -0.148 -0.000 -9.966) 9.967 2.467 ( 2.147 0.000 -0.054) 2.147 2.536 ( 0.934 0.000 -2.294) 2.477 2.589 ( -0.759 -0.000 0.203) 0.785 2.649 ( 1.670 0.000 -2.963) 3.402 2.736 ( -0.539 -0.000 13.223) 13.234 2.748 ( -3.146 -0.000 -0.250) 3.156 2.768 ( 2.131 0.000 -1.764) 2.766 2.782 ( -0.345 -0.000 0.120) 0.365 2.902 ( 1.495 0.000 -2.781) 3.157 2.986 ( 1.082 0.000 -0.197) 1.100 3.122 ( -7.108 -0.000 9.578) 11.927 3.216 ( 0.637 0.000 -2.925) 2.994 3.271 ( -0.370 -0.000 2.362) 2.391 3.378 ( 0.927 0.000 0.357) 0.994 3.413 ( 2.051 0.000 -1.219) 2.387 3.441 ( 0.062 0.000 -2.211) 2.212 3.574 ( -0.576 -0.000 2.628) 2.691 3.580 ( -0.652 -0.000 -0.418) 0.774 3.694 ( -1.683 -0.000 -2.423) 2.950 3.729 ( -1.500 -0.000 -0.992) 1.799 3.772 ( -1.117 -0.000 2.602) 2.832 3.798 ( 0.369 0.000 0.253) 0.448 4.054 ( 2.676 0.000 -1.798) 3.224 4.091 ( 3.237 0.000 -0.261) 3.247 4.125 ( 0.613 0.000 0.921) 1.106 4.165 ( 3.712 0.000 -0.451) 3.739 4.350 ( -2.302 -0.000 -0.460) 2.347 4.421 ( 0.260 0.000 -0.143) 0.297 4.436 ( 1.176 0.000 0.926) 1.496 4.490 ( 1.717 0.000 -1.021) 1.998 4.623 ( -1.876 -0.000 -0.530) 1.950 4.653 ( -0.609 -0.000 -1.734) 1.837 4.810 ( 0.543 0.000 -1.312) 1.420 4.818 ( -0.371 -0.000 -1.646) 1.687 4.868 ( 2.373 0.000 -1.616) 2.871 4.942 ( 1.119 0.000 3.232) 3.420 4.969 ( -3.130 -0.000 0.060) 3.130 5.038 ( -1.182 -0.000 -1.858) 2.202 5.055 ( -1.562 -0.000 1.135) 1.930 5.064 ( 1.496 0.000 -2.284) 2.730 5.170 ( -1.802 -0.000 1.138) 2.131 5.199 ( 0.513 0.000 0.969) 1.096 5.252 ( -0.751 -0.000 0.775) 1.080 5.292 ( 2.578 0.000 -1.191) 2.840 5.695 ( -2.500 -0.000 -0.388) 2.530 5.814 ( -2.138 -0.000 1.888) 2.852 5.945 ( -0.423 -0.000 4.569) 4.588 5.972 ( 2.943 0.000 -2.977) 4.186 6.102 ( -1.141 -0.000 0.228) 1.163 6.133 ( 1.209 0.000 0.502) 1.309 6.236 ( -4.691 -0.000 -1.003) 4.797 6.348 ( -0.297 -0.000 -1.119) 1.157 8.839 ( -0.836 -0.000 1.898) 2.074 8.868 ( -0.647 -0.000 -1.008) 1.198 8.882 ( 0.523 0.000 -0.688) 0.864 8.930 ( 0.492 0.000 -1.279) 1.370 9.073 ( -0.834 -0.000 2.986) 3.101 9.076 ( 0.333 0.000 -2.984) 3.002 9.158 ( -0.057 -0.000 -0.348) 0.353 9.170 ( 0.167 0.000 -0.033) 0.170 9.288 ( 0.082 0.000 -1.924) 1.926 9.335 ( 0.816 0.000 1.386) 1.608 9.409 ( -4.322 -0.000 1.682) 4.638 9.494 ( -2.443 -0.000 2.659) 3.611 9.594 ( 1.021 0.000 1.402) 1.734 9.767 ( 4.387 0.000 0.954) 4.489 10.009 ( -0.321 -0.000 -0.853) 0.911 10.066 ( -0.113 -0.000 -0.146) 0.185 10.114 ( 0.971 0.000 -0.218) 0.995 10.126 ( -0.303 -0.000 -0.293) 0.421 10.160 ( 3.901 0.000 1.734) 4.269 10.302 ( 3.455 0.000 -2.384) 4.198 10.338 ( -0.392 -0.000 2.041) 2.078 10.386 ( 5.561 0.000 -2.804) 6.228 10.585 ( -1.148 -0.000 -1.496) 1.885 10.623 ( -0.884 -0.000 2.621) 2.766 10.844 ( 1.537 0.000 -1.836) 2.394 10.848 ( 1.780 0.000 0.174) 1.789 11.050 ( -2.516 -0.000 1.932) 3.172 11.099 ( -0.604 -0.000 -2.620) 2.688 11.433 ( 0.250 0.000 1.314) 1.338 11.570 ( 3.389 0.000 -2.957) 4.498 11.850 ( -2.717 -0.000 -1.276) 3.001 11.928 ( -3.165 -0.000 3.294) 4.568 ======================= Grid point 83 (44/48) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 5.169 8.321 -2.329) 10.069 0.911 ( 3.234 -7.639 -1.182) 8.380 1.080 ( -1.213 0.311 -0.527) 1.359 1.229 ( 5.610 1.747 -4.524) 7.415 1.270 ( 2.718 0.944 -4.021) 4.944 1.360 ( 3.290 2.458 0.813) 4.187 1.436 ( 3.563 0.535 1.097) 3.766 1.503 ( 1.278 -2.127 2.353) 3.420 1.532 ( 1.782 -0.561 1.531) 2.415 1.603 ( 1.846 1.974 -0.490) 2.746 1.656 ( -1.512 0.788 1.500) 2.271 1.668 ( 2.268 4.551 -0.234) 5.090 1.769 ( 1.338 3.773 3.936) 5.614 1.825 ( -1.876 1.552 0.910) 2.599 1.895 ( -1.581 -3.457 3.574) 5.218 1.911 ( -1.593 -1.417 -4.723) 5.181 1.961 ( -4.199 -0.807 0.390) 4.294 1.987 ( -0.145 -0.672 4.683) 4.733 2.081 ( 4.067 -0.579 2.605) 4.864 2.175 ( -1.788 1.468 -3.701) 4.364 2.318 ( 0.136 1.718 -0.179) 1.732 2.336 ( 2.519 0.371 0.358) 2.571 2.367 ( 0.886 0.537 -3.078) 3.248 2.429 ( -1.017 -2.605 -3.868) 4.773 2.497 ( 1.798 1.304 -0.715) 2.333 2.543 ( 0.368 0.078 -1.133) 1.194 2.577 ( 2.165 0.981 -2.746) 3.632 2.677 ( 0.536 -0.550 -2.661) 2.769 2.711 ( -2.120 -2.002 -2.570) 3.887 2.758 ( -3.819 -1.022 3.764) 5.459 2.786 ( 0.474 0.069 4.386) 4.412 2.814 ( 3.383 -1.538 0.025) 3.716 2.908 ( 0.670 0.648 1.791) 2.019 2.979 ( -3.024 -0.890 2.314) 3.910 3.104 ( -0.423 -2.335 3.582) 4.297 3.198 ( -1.286 0.643 -1.534) 2.102 3.260 ( 0.964 2.141 -2.133) 3.172 3.354 ( -1.669 2.344 -1.458) 3.226 3.419 ( 1.298 -0.164 1.686) 2.134 3.481 ( -0.110 -3.127 -1.057) 3.303 3.572 ( -0.174 0.040 0.067) 0.191 3.579 ( -0.689 -0.247 2.797) 2.891 3.662 ( -0.856 0.654 -1.499) 1.846 3.717 ( -2.045 -1.644 -0.795) 2.742 3.760 ( 0.137 1.239 1.805) 2.194 3.803 ( 0.450 0.221 -0.447) 0.672 4.053 ( 1.313 2.005 -0.797) 2.526 4.092 ( 2.934 2.964 -0.443) 4.194 4.173 ( 0.451 -1.730 0.067) 1.789 4.243 ( 2.280 -3.470 0.371) 4.168 4.325 ( 0.341 0.570 -0.470) 0.814 4.417 ( -0.731 1.088 0.024) 1.311 4.448 ( 1.878 1.121 0.455) 2.234 4.514 ( 0.925 -1.535 -0.556) 1.876 4.590 ( -2.249 0.350 -0.659) 2.369 4.633 ( -1.577 -0.289 -1.913) 2.496 4.808 ( 0.870 0.460 -0.344) 1.042 4.842 ( 2.087 -2.129 -1.345) 3.270 4.889 ( 2.201 0.744 -1.667) 2.859 4.929 ( -1.728 1.220 1.361) 2.515 4.962 ( 0.012 0.069 0.894) 0.897 4.978 ( -1.141 2.808 -1.113) 3.228 5.056 ( 0.683 0.224 1.411) 1.584 5.100 ( 0.323 -1.673 -1.217) 2.095 5.136 ( -1.221 -0.423 -0.239) 1.314 5.200 ( -2.724 -0.562 1.410) 3.118 5.268 ( 1.621 -0.703 0.546) 1.849 5.319 ( 1.006 -0.524 -0.729) 1.348 5.669 ( -1.184 -0.237 -0.390) 1.269 5.774 ( -3.732 -0.017 0.666) 3.791 5.966 ( 0.021 -0.400 4.614) 4.631 5.997 ( 2.867 0.594 -2.690) 3.976 6.094 ( -1.110 -1.115 0.145) 1.580 6.145 ( -2.042 0.876 -0.481) 2.273 6.175 ( -0.021 -0.134 0.198) 0.240 6.337 ( -1.418 -0.680 -1.321) 2.054 8.840 ( -0.167 -0.162 1.801) 1.816 8.858 ( 0.043 0.352 -0.532) 0.639 8.885 ( -0.255 -0.424 -0.537) 0.730 8.922 ( -0.583 0.174 -1.645) 1.754 9.068 ( 0.137 -0.054 -2.274) 2.279 9.073 ( -0.550 -0.032 2.259) 2.325 9.156 ( 0.137 0.063 -0.342) 0.374 9.172 ( -0.160 -0.093 0.244) 0.306 9.280 ( 0.496 0.556 -1.127) 1.351 9.352 ( -0.790 0.587 1.881) 2.123 9.379 ( -1.151 -2.492 -0.146) 2.749 9.487 ( -2.874 -2.587 2.022) 4.364 9.616 ( 2.553 1.288 1.759) 3.357 9.782 ( 0.967 2.965 -0.278) 3.131 10.018 ( 0.086 -1.464 -0.762) 1.653 10.059 ( -0.812 0.012 0.066) 0.815 10.117 ( 0.583 0.657 0.190) 0.898 10.129 ( 0.223 -0.288 -0.331) 0.492 10.219 ( 4.952 1.420 1.932) 5.502 10.310 ( 1.216 1.032 -1.088) 1.931 10.347 ( -0.319 -0.236 1.316) 1.375 10.462 ( 5.784 0.897 -2.371) 6.315 10.534 ( -1.408 2.179 -1.576) 3.035 10.640 ( -0.813 -1.858 1.472) 2.506 10.841 ( 1.681 1.491 -1.115) 2.508 10.903 ( 2.412 -2.065 -0.009) 3.175 11.001 ( -2.527 2.149 1.384) 3.594 11.094 ( -1.777 -2.086 -1.266) 3.019 11.449 ( 2.324 0.910 0.656) 2.581 11.596 ( 0.510 -0.720 -1.689) 1.905 11.824 ( -0.926 -0.819 -1.119) 1.668 11.890 ( -3.410 0.146 2.315) 4.124 ======================= Grid point 84 (45/48) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 12.784 1.583 -2.020) 13.039 0.974 ( -7.694 -1.641 0.258) 7.871 1.085 ( 7.627 3.149 -2.432) 8.603 1.213 ( -0.880 4.660 -3.308) 5.782 1.275 ( 3.846 1.438 0.691) 4.164 1.348 ( -0.911 0.993 1.654) 2.134 1.422 ( -0.068 4.478 2.500) 5.129 1.507 ( -2.460 3.285 -3.108) 5.148 1.568 ( 1.191 0.325 1.340) 1.822 1.599 ( 1.430 0.663 1.512) 2.184 1.642 ( 4.766 2.516 -1.646) 5.635 1.679 ( 1.546 -1.866 3.081) 3.920 1.728 ( -0.553 2.745 -4.041) 4.916 1.781 ( -3.141 -0.967 -0.427) 3.314 1.871 ( -5.101 0.007 1.153) 5.230 1.872 ( -2.914 -0.380 -0.480) 2.977 1.932 ( 0.696 2.043 3.911) 4.467 2.042 ( -3.405 3.149 -1.721) 4.946 2.075 ( 4.130 -1.561 0.356) 4.429 2.171 ( -2.730 -2.173 1.049) 3.644 2.315 ( 3.526 -0.953 2.736) 4.564 2.361 ( 2.590 1.116 -0.756) 2.920 2.380 ( 0.599 0.844 0.023) 1.035 2.440 ( -1.531 -0.580 -2.948) 3.372 2.496 ( -1.931 0.919 8.296) 8.567 2.529 ( 2.236 1.142 -4.061) 4.775 2.583 ( 2.840 -0.747 -3.626) 4.666 2.668 ( -3.232 -1.144 2.912) 4.498 2.684 ( -2.025 -0.104 -4.904) 5.307 2.723 ( -4.106 -0.317 1.572) 4.408 2.811 ( 1.633 0.062 0.640) 1.755 2.840 ( 0.443 1.919 -0.906) 2.168 2.958 ( 4.302 -1.533 -0.388) 4.584 3.003 ( 0.121 -3.082 2.345) 3.874 3.148 ( 1.217 -0.907 0.231) 1.535 3.171 ( -0.256 -0.212 -1.977) 2.005 3.240 ( 0.888 0.410 -2.611) 2.788 3.296 ( -3.458 1.016 1.041) 3.751 3.435 ( 0.970 0.840 1.909) 2.300 3.490 ( -2.257 -0.534 -0.322) 2.342 3.575 ( 0.766 0.034 -0.815) 1.120 3.584 ( -0.506 -0.445 2.193) 2.294 3.658 ( 0.581 -1.178 -0.634) 1.459 3.706 ( -2.516 -1.688 -0.799) 3.133 3.764 ( 1.419 0.600 0.970) 1.821 3.796 ( -0.324 0.611 -0.453) 0.827 4.048 ( 1.993 1.314 -0.093) 2.389 4.095 ( 2.089 1.753 -1.001) 2.905 4.167 ( -0.549 1.124 0.286) 1.283 4.260 ( -3.344 1.414 -0.128) 3.633 4.344 ( 2.137 -0.080 0.929) 2.332 4.382 ( -0.673 1.360 -0.233) 1.535 4.468 ( 2.451 0.243 -0.262) 2.477 4.517 ( -1.748 0.597 0.378) 1.885 4.582 ( 0.061 -1.963 0.116) 1.968 4.616 ( -1.739 -1.516 -1.129) 2.568 4.822 ( 1.501 0.135 1.281) 1.978 4.868 ( -0.222 0.587 -2.441) 2.520 4.895 ( -0.466 2.450 2.611) 3.611 4.911 ( 0.735 0.681 -1.479) 1.786 4.937 ( 1.562 -1.261 -1.449) 2.476 4.970 ( -0.150 -0.658 0.473) 0.824 5.075 ( 1.745 0.586 1.992) 2.713 5.112 ( 0.670 -1.154 -0.787) 1.549 5.154 ( -0.615 -1.515 -0.711) 1.783 5.179 ( -2.065 -2.194 0.256) 3.024 5.280 ( 0.858 1.824 0.751) 2.151 5.317 ( -1.259 0.728 -0.210) 1.469 5.680 ( 1.112 -1.700 -0.124) 2.035 5.741 ( -3.028 -1.718 -0.459) 3.512 5.978 ( 0.082 0.889 3.833) 3.935 6.009 ( 1.599 1.429 -3.156) 3.816 6.077 ( -1.269 -0.457 -0.897) 1.620 6.109 ( -1.685 -0.952 -0.690) 2.055 6.229 ( 3.170 -1.755 3.339) 4.928 6.322 ( -1.999 -1.355 -2.096) 3.198 8.853 ( 0.737 -0.246 0.699) 1.045 8.861 ( 0.894 -0.124 0.653) 1.114 8.882 ( -0.815 -0.317 -0.450) 0.984 8.903 ( -1.331 -0.193 -1.172) 1.784 9.067 ( 0.685 -0.193 -1.785) 1.922 9.076 ( -0.619 -0.287 1.800) 1.925 9.158 ( 0.367 0.001 -0.164) 0.402 9.169 ( -0.464 -0.013 0.281) 0.542 9.282 ( 0.893 0.137 0.136) 0.913 9.322 ( -2.012 0.376 0.149) 2.052 9.435 ( 2.366 -3.473 -1.089) 4.342 9.498 ( -2.772 -3.309 1.474) 4.562 9.631 ( 2.906 2.809 1.600) 4.347 9.720 ( -1.869 4.150 -1.691) 4.856 10.035 ( 0.043 -1.099 -0.626) 1.265 10.048 ( -1.074 -0.169 0.408) 1.161 10.115 ( 0.613 0.815 0.132) 1.028 10.130 ( -0.202 0.236 -0.401) 0.507 10.246 ( 4.161 3.992 1.177) 5.885 10.319 ( 2.324 0.783 0.012) 2.453 10.334 ( -1.852 0.933 0.296) 2.094 10.406 ( -3.955 4.105 0.774) 5.753 10.560 ( 5.024 -0.502 -3.808) 6.324 10.643 ( -2.376 -0.406 1.535) 2.858 10.840 ( 1.607 1.309 -0.153) 2.078 10.899 ( -2.498 2.113 0.405) 3.297 11.011 ( 3.035 -2.190 0.283) 3.754 11.092 ( -2.589 -1.942 0.008) 3.236 11.472 ( 3.650 1.411 -0.067) 3.914 11.575 ( -3.296 0.851 0.084) 3.406 11.842 ( 0.819 -1.911 0.087) 2.081 11.875 ( -1.237 -1.951 -0.136) 2.314 ======================= Grid point 85 (46/48) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -7.916 -3.116 -1.023) 8.569 0.864 ( 7.916 -3.116 1.023) 8.569 1.090 ( 2.890 5.241 -5.010) 7.805 1.090 ( -2.890 5.241 5.010) 7.805 1.300 ( -3.153 3.486 -1.313) 4.880 1.300 ( 3.153 3.486 1.313) 4.880 1.384 ( -1.445 4.982 -6.968) 8.687 1.384 ( 1.445 4.982 6.968) 8.687 1.578 ( -0.839 2.037 -3.749) 4.349 1.578 ( 0.839 2.037 3.749) 4.349 1.636 ( -2.365 2.780 0.192) 3.654 1.636 ( 2.365 2.780 -0.192) 3.654 1.790 ( 1.585 -3.719 -7.895) 8.870 1.790 ( -1.585 -3.719 7.895) 8.870 1.858 ( 1.438 -1.916 -2.387) 3.382 1.858 ( -1.438 -1.916 2.387) 3.382 1.948 ( -0.564 0.426 -5.997) 6.038 1.948 ( 0.564 0.426 5.997) 6.038 2.150 ( -1.892 -0.837 -2.035) 2.902 2.150 ( 1.892 -0.837 2.035) 2.902 2.357 ( 2.497 1.346 -3.731) 4.687 2.357 ( -2.497 1.346 3.731) 4.687 2.387 ( 3.705 0.276 -3.293) 4.965 2.387 ( -3.705 0.276 3.293) 4.965 2.513 ( 0.440 0.113 -6.299) 6.315 2.513 ( -0.440 0.113 6.299) 6.315 2.636 ( -0.045 0.053 -2.768) 2.769 2.636 ( 0.045 0.053 2.768) 2.769 2.691 ( 1.816 -1.874 -3.470) 4.342 2.691 ( -1.816 -1.874 3.470) 4.342 2.814 ( 0.389 1.484 -2.022) 2.538 2.814 ( -0.389 1.484 2.022) 2.538 2.993 ( -1.475 2.637 -2.271) 3.780 2.993 ( 1.475 2.637 2.271) 3.780 3.180 ( -1.696 -0.721 -1.687) 2.498 3.180 ( 1.696 -0.721 1.687) 2.498 3.263 ( 3.876 -2.150 -5.094) 6.753 3.263 ( -3.876 -2.150 5.094) 6.753 3.446 ( -2.087 1.271 -0.416) 2.479 3.446 ( 2.087 1.271 0.416) 2.479 3.586 ( 1.098 -0.181 -1.443) 1.822 3.586 ( -1.098 -0.181 1.443) 1.822 3.704 ( -0.365 -2.730 -1.818) 3.300 3.704 ( 0.365 -2.730 1.818) 3.300 3.777 ( -0.028 0.440 -2.312) 2.354 3.777 ( 0.028 0.440 2.312) 2.354 4.063 ( -1.381 1.603 -1.147) 2.406 4.063 ( 1.381 1.603 1.147) 2.406 4.164 ( -3.893 2.866 0.170) 4.837 4.164 ( 3.893 2.866 -0.170) 4.837 4.366 ( -0.209 -0.468 -0.911) 1.045 4.366 ( 0.209 -0.468 0.911) 1.045 4.486 ( 0.251 1.144 -1.349) 1.786 4.486 ( -0.251 1.144 1.349) 1.786 4.622 ( -0.545 -2.195 -0.408) 2.298 4.622 ( 0.545 -2.195 0.408) 2.298 4.841 ( -0.568 0.845 -2.362) 2.572 4.841 ( 0.568 0.845 2.362) 2.572 4.879 ( -1.181 0.916 -2.469) 2.886 4.879 ( 1.181 0.916 2.469) 2.886 4.987 ( 0.750 -2.080 -2.067) 3.027 4.987 ( -0.750 -2.080 2.067) 3.027 5.100 ( -2.218 0.321 -1.213) 2.549 5.100 ( 2.218 0.321 1.213) 2.549 5.189 ( 2.042 -1.425 -1.331) 2.823 5.189 ( -2.042 -1.425 1.331) 2.823 5.268 ( -1.215 1.979 -0.541) 2.385 5.268 ( 1.215 1.979 0.541) 2.385 5.735 ( -2.315 -2.381 -0.964) 3.458 5.735 ( 2.315 -2.381 0.964) 3.458 5.975 ( 0.259 1.729 -3.872) 4.249 5.975 ( -0.259 1.729 3.872) 4.249 6.099 ( -0.340 -1.063 -1.217) 1.652 6.099 ( 0.340 -1.063 1.217) 1.652 6.305 ( -1.959 -1.656 -3.097) 4.021 6.305 ( 1.959 -1.656 3.097) 4.021 8.867 ( -0.508 0.235 -0.708) 0.903 8.867 ( 0.508 0.235 0.708) 0.903 8.888 ( -1.033 -0.770 -1.146) 1.724 8.888 ( 1.033 -0.770 1.146) 1.724 9.076 ( 1.066 -0.162 -2.628) 2.841 9.076 ( -1.066 -0.162 2.628) 2.841 9.164 ( 0.088 -0.014 -0.436) 0.445 9.164 ( -0.088 -0.014 0.436) 0.445 9.299 ( -0.916 -0.264 -1.331) 1.637 9.299 ( 0.916 -0.264 1.331) 1.637 9.511 ( 1.916 -2.208 -1.399) 3.241 9.511 ( -1.916 -2.208 1.399) 3.241 9.628 ( -0.677 2.860 -2.291) 3.727 9.628 ( 0.677 2.860 2.291) 3.727 10.044 ( -0.083 -0.317 -0.663) 0.740 10.044 ( 0.083 -0.317 0.663) 0.740 10.113 ( -0.493 0.782 -0.559) 1.080 10.113 ( 0.493 0.782 0.559) 1.080 10.243 ( -2.536 4.436 -1.643) 5.367 10.243 ( 2.536 4.436 1.643) 5.367 10.343 ( 0.587 0.095 -1.737) 1.836 10.343 ( -0.587 0.095 1.737) 1.836 10.610 ( 2.512 -0.100 -2.188) 3.333 10.610 ( -2.512 -0.100 2.188) 3.333 10.845 ( -1.313 1.195 -0.667) 1.897 10.845 ( 1.313 1.195 0.667) 1.897 11.080 ( -1.583 -1.423 -0.449) 2.176 11.080 ( 1.583 -1.423 0.449) 2.176 11.504 ( -0.658 1.527 -1.529) 2.259 11.504 ( 0.658 1.527 1.529) 2.259 11.891 ( -0.919 -2.386 -2.227) 3.390 11.891 ( 0.919 -2.386 2.227) 3.390 ======================= Grid point 89 (47/48) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 4.812 0.000 -2.017) 5.218 0.863 ( 8.895 0.000 -0.805) 8.931 1.064 ( 0.157 0.000 0.649) 0.668 1.230 ( -4.565 -0.000 -5.643) 7.258 1.335 ( 7.685 0.000 -3.831) 8.587 1.428 ( 0.731 0.000 2.930) 3.019 1.481 ( 1.352 0.000 2.195) 2.578 1.521 ( 3.994 0.000 3.360) 5.219 1.580 ( 1.965 0.000 0.461) 2.018 1.612 ( -5.213 -0.000 -2.234) 5.671 1.647 ( 3.361 0.000 -1.749) 3.789 1.724 ( -0.048 -0.000 -1.962) 1.963 1.812 ( -4.492 -0.000 0.945) 4.590 1.817 ( -4.096 -0.000 5.879) 7.165 1.847 ( 1.237 0.000 1.215) 1.734 1.899 ( -3.026 -0.000 0.987) 3.183 1.914 ( 6.282 0.000 -3.118) 7.013 1.998 ( -0.636 -0.000 5.558) 5.594 2.096 ( 0.182 0.000 3.750) 3.755 2.179 ( -2.051 -0.000 -5.134) 5.528 2.343 ( 1.669 0.000 -0.146) 1.675 2.346 ( 0.914 0.000 -1.636) 1.874 2.397 ( 2.337 0.000 -0.467) 2.383 2.404 ( 3.441 0.000 -1.215) 3.649 2.519 ( -0.261 -0.000 0.870) 0.909 2.544 ( 0.093 0.000 -2.595) 2.596 2.586 ( 0.442 0.000 -6.303) 6.319 2.654 ( -5.814 -0.000 2.644) 6.387 2.661 ( 0.551 0.000 -2.631) 2.688 2.706 ( -2.675 -0.000 2.382) 3.582 2.838 ( 1.119 0.000 9.699) 9.764 2.840 ( 5.776 0.000 -6.150) 8.437 2.929 ( 0.545 0.000 -0.491) 0.734 2.939 ( -2.731 -0.000 3.814) 4.691 3.112 ( 2.269 0.000 2.086) 3.082 3.178 ( -1.581 -0.000 -1.484) 2.168 3.268 ( 0.002 0.000 -4.509) 4.509 3.314 ( -5.117 -0.000 1.205) 5.257 3.452 ( 1.785 0.000 -2.327) 2.933 3.458 ( 0.193 0.000 3.637) 3.642 3.574 ( 0.262 0.000 0.209) 0.335 3.579 ( -0.407 -0.000 1.772) 1.818 3.657 ( -0.263 -0.000 -1.699) 1.719 3.672 ( -2.052 -0.000 -0.103) 2.054 3.779 ( 0.919 0.000 0.549) 1.070 3.803 ( -0.437 -0.000 -0.044) 0.439 4.077 ( 0.398 0.000 0.725) 0.827 4.116 ( -1.396 -0.000 -1.420) 1.991 4.196 ( 3.442 0.000 0.238) 3.450 4.245 ( 1.128 0.000 -0.960) 1.481 4.355 ( 3.455 0.000 0.631) 3.512 4.419 ( -0.600 -0.000 0.293) 0.668 4.482 ( 1.166 0.000 1.234) 1.698 4.503 ( 0.171 0.000 -1.370) 1.381 4.562 ( -1.823 -0.000 -0.081) 1.824 4.592 ( -2.647 -0.000 -2.440) 3.600 4.841 ( 1.619 0.000 0.754) 1.786 4.843 ( 2.558 0.000 -1.093) 2.782 4.913 ( 1.412 0.000 -1.820) 2.304 4.927 ( -0.517 -0.000 0.678) 0.853 4.960 ( -1.231 -0.000 1.664) 2.070 4.970 ( -1.748 -0.000 -1.817) 2.521 5.083 ( 2.155 0.000 0.514) 2.215 5.091 ( 1.050 0.000 -1.597) 1.911 5.118 ( -1.646 -0.000 1.925) 2.533 5.161 ( -2.663 -0.000 0.969) 2.834 5.286 ( 2.143 0.000 -0.081) 2.144 5.322 ( -0.216 -0.000 -0.232) 0.317 5.655 ( 0.135 0.000 -0.705) 0.718 5.717 ( -4.615 -0.000 0.609) 4.656 5.992 ( 1.296 0.000 4.521) 4.703 6.025 ( 1.941 0.000 -2.638) 3.275 6.069 ( -1.363 -0.000 0.965) 1.670 6.099 ( -3.397 -0.000 -3.077) 4.583 6.202 ( 2.696 0.000 2.897) 3.958 6.298 ( -2.506 -0.000 -2.367) 3.448 8.847 ( 0.252 0.000 2.055) 2.070 8.863 ( 0.624 0.000 0.198) 0.655 8.873 ( -0.567 -0.000 -1.223) 1.348 8.902 ( -1.426 -0.000 -1.758) 2.263 9.064 ( 0.576 0.000 -2.139) 2.215 9.071 ( -0.899 -0.000 2.109) 2.292 9.159 ( 0.374 0.000 -0.375) 0.530 9.169 ( -0.446 -0.000 0.458) 0.640 9.291 ( 1.187 0.000 -1.282) 1.748 9.331 ( -2.545 -0.000 1.189) 2.809 9.375 ( 1.810 0.000 0.390) 1.851 9.434 ( -2.925 -0.000 1.366) 3.228 9.679 ( 3.985 0.000 2.291) 4.597 9.790 ( -2.386 -0.000 -1.396) 2.764 10.013 ( 1.048 0.000 -0.978) 1.434 10.043 ( -1.568 -0.000 0.607) 1.682 10.129 ( 0.459 0.000 0.300) 0.548 10.134 ( 0.449 0.000 -0.208) 0.495 10.303 ( 3.350 0.000 1.912) 3.858 10.321 ( 0.657 0.000 -1.800) 1.916 10.363 ( 2.298 0.000 3.579) 4.253 10.502 ( -3.336 -0.000 -2.813) 4.364 10.555 ( 6.146 0.000 -4.951) 7.892 10.619 ( -1.393 -0.000 3.617) 3.876 10.887 ( 2.992 0.000 -2.323) 3.789 10.914 ( 1.929 0.000 1.421) 2.396 10.993 ( -3.026 -0.000 3.720) 4.796 11.034 ( -2.427 -0.000 -3.094) 3.933 11.500 ( 3.433 0.000 0.984) 3.571 11.580 ( -1.375 -0.000 -1.528) 2.055 11.807 ( 0.471 0.000 -1.705) 1.768 11.849 ( -3.671 -0.000 2.336) 4.351 ======================= Grid point 90 (48/48) ======================= q-point: (-0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -6.523 3.072 -1.011) 7.281 0.869 ( 6.523 3.072 1.011) 7.281 1.163 ( -6.189 -3.648 -2.265) 7.533 1.163 ( 6.189 -3.648 2.265) 7.533 1.375 ( -0.164 4.460 -1.816) 4.818 1.375 ( 0.164 4.460 1.816) 4.818 1.513 ( -2.432 3.387 -4.381) 6.048 1.513 ( 2.432 3.387 4.381) 6.048 1.578 ( -0.885 -1.565 -2.719) 3.260 1.578 ( 0.885 -1.565 2.719) 3.260 1.696 ( -1.243 -0.327 -2.462) 2.777 1.696 ( 1.243 -0.327 2.462) 2.777 1.762 ( 0.622 3.764 -3.287) 5.036 1.762 ( -0.622 3.764 3.287) 5.036 1.852 ( 1.146 1.155 -2.747) 3.193 1.852 ( -1.146 1.155 2.747) 3.193 2.005 ( 0.135 -0.707 -3.874) 3.940 2.005 ( -0.135 -0.707 3.874) 3.940 2.111 ( 0.901 0.340 -1.805) 2.046 2.111 ( -0.901 0.340 1.805) 2.046 2.363 ( -1.818 -0.542 -1.754) 2.584 2.363 ( 1.818 -0.542 1.754) 2.584 2.415 ( -2.022 1.334 0.267) 2.437 2.415 ( 2.022 1.334 -0.267) 2.437 2.523 ( -0.703 -0.186 -4.764) 4.820 2.523 ( 0.703 -0.186 4.764) 4.820 2.601 ( 4.941 -1.055 -5.505) 7.472 2.601 ( -4.941 -1.055 5.505) 7.472 2.681 ( 2.593 -0.160 -3.062) 4.016 2.681 ( -2.593 -0.160 3.062) 4.016 2.854 ( 1.189 1.948 -7.016) 7.377 2.854 ( -1.189 1.948 7.016) 7.377 2.957 ( 2.077 -3.366 -5.505) 6.779 2.957 ( -2.077 -3.366 5.505) 6.779 3.153 ( -0.607 -0.578 -2.023) 2.190 3.153 ( 0.607 -0.578 2.023) 2.190 3.262 ( 2.955 0.610 -3.590) 4.690 3.262 ( -2.955 0.610 3.590) 4.690 3.464 ( 0.128 -0.021 -2.770) 2.773 3.464 ( -0.128 -0.021 2.770) 2.773 3.579 ( 0.532 -0.135 -1.160) 1.283 3.579 ( -0.532 -0.135 1.160) 1.283 3.658 ( -0.362 -0.625 -0.968) 1.208 3.658 ( 0.362 -0.625 0.968) 1.208 3.791 ( -0.205 0.329 -0.916) 0.995 3.791 ( 0.205 0.329 0.916) 0.995 4.088 ( -1.340 0.476 -1.456) 2.035 4.088 ( 1.340 0.476 1.456) 2.035 4.229 ( -3.231 0.981 -0.396) 3.400 4.229 ( 3.231 0.981 0.396) 3.400 4.388 ( -2.032 1.493 -0.569) 2.585 4.388 ( 2.032 1.493 0.569) 2.585 4.497 ( -0.366 0.013 -1.364) 1.413 4.497 ( 0.366 0.013 1.364) 1.413 4.567 ( -1.251 -1.356 -1.195) 2.199 4.567 ( 1.251 -1.356 1.195) 2.199 4.854 ( -0.855 0.458 -2.023) 2.243 4.854 ( 0.855 0.458 2.023) 2.243 4.930 ( 0.159 0.313 -2.237) 2.265 4.930 ( -0.159 0.313 2.237) 2.265 4.942 ( 0.060 0.166 -0.651) 0.674 4.942 ( -0.060 0.166 0.651) 0.674 5.104 ( 1.099 -0.875 -0.625) 1.537 5.104 ( -1.099 -0.875 0.625) 1.537 5.130 ( -1.351 -0.436 -0.810) 1.635 5.130 ( 1.351 -0.436 0.810) 1.635 5.310 ( -0.981 0.270 -0.410) 1.097 5.310 ( 0.981 0.270 0.410) 1.097 5.679 ( -2.628 -1.263 0.440) 2.949 5.679 ( 2.628 -1.263 -0.440) 2.949 6.016 ( -0.957 1.029 -3.605) 3.869 6.016 ( 0.957 1.029 3.605) 3.869 6.069 ( -0.407 -0.867 -2.034) 2.248 6.069 ( 0.407 -0.867 2.034) 2.248 6.260 ( -2.918 -1.147 -3.149) 4.444 6.260 ( 2.918 -1.147 3.149) 4.444 8.861 ( -0.497 -0.294 -1.523) 1.629 8.861 ( 0.497 -0.294 1.523) 1.629 8.879 ( -1.243 -0.071 -1.075) 1.645 8.879 ( 1.243 -0.071 1.075) 1.645 9.068 ( 0.910 -0.243 -1.883) 2.106 9.068 ( -0.910 -0.243 1.883) 2.106 9.164 ( 0.379 -0.009 -0.496) 0.624 9.164 ( -0.379 -0.009 0.496) 0.624 9.303 ( 0.542 0.409 -0.545) 0.871 9.303 ( -0.542 0.409 0.545) 0.871 9.421 ( 0.430 -2.551 -0.628) 2.662 9.421 ( -0.430 -2.551 0.628) 2.662 9.723 ( -3.688 2.380 -2.265) 4.939 9.723 ( 3.688 2.380 2.265) 4.939 10.030 ( 1.150 -0.476 -0.885) 1.528 10.030 ( -1.150 -0.476 0.885) 1.528 10.132 ( -0.169 0.412 -0.333) 0.556 10.132 ( 0.169 0.412 0.333) 0.556 10.319 ( -0.056 0.455 -1.565) 1.630 10.319 ( 0.056 0.455 1.565) 1.630 10.406 ( -4.208 3.520 -2.921) 6.215 10.406 ( 4.208 3.520 2.921) 6.215 10.605 ( 3.983 -0.246 -3.728) 5.461 10.605 ( -3.983 -0.246 3.728) 5.461 10.897 ( 0.644 2.274 -1.231) 2.665 10.897 ( -0.644 2.274 1.231) 2.665 11.018 ( -1.351 -2.645 -2.620) 3.961 11.018 ( 1.351 -2.645 2.620) 3.961 11.540 ( -2.909 0.827 -1.115) 3.223 11.540 ( 2.909 0.827 1.115) 3.223 11.829 ( 1.402 -1.565 -1.965) 2.877 11.829 ( -1.402 -1.565 1.965) 2.877 =================== 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 3/16200 10.0 28.713 23.351 22.933 0.000 0.419 0.000 3/16200 20.0 8.269 6.622 6.581 0.000 -0.081 0.000 3/16200 30.0 4.406 3.490 3.548 0.000 -0.105 0.000 3/16200 40.0 2.952 2.314 2.407 0.000 -0.093 0.000 3/16200 50.0 2.209 1.718 1.820 0.000 -0.080 0.000 3/16200 60.0 1.763 1.364 1.464 0.000 -0.070 0.000 3/16200 70.0 1.468 1.131 1.226 0.000 -0.062 0.000 3/16200 80.0 1.259 0.968 1.057 0.000 -0.055 0.000 3/16200 90.0 1.104 0.846 0.930 0.000 -0.050 0.000 3/16200 100.0 0.984 0.753 0.832 0.000 -0.046 0.000 3/16200 110.0 0.889 0.679 0.753 0.000 -0.043 0.000 3/16200 120.0 0.811 0.618 0.689 0.000 -0.040 0.000 3/16200 130.0 0.746 0.568 0.636 0.000 -0.038 0.000 3/16200 140.0 0.691 0.526 0.590 0.000 -0.035 0.000 3/16200 150.0 0.645 0.490 0.551 0.000 -0.034 0.000 3/16200 160.0 0.604 0.458 0.517 0.000 -0.032 0.000 3/16200 170.0 0.568 0.431 0.487 0.000 -0.031 0.000 3/16200 180.0 0.537 0.406 0.461 0.000 -0.029 0.000 3/16200 190.0 0.508 0.385 0.437 0.000 -0.028 0.000 3/16200 200.0 0.483 0.365 0.416 0.000 -0.027 0.000 3/16200 210.0 0.460 0.348 0.397 0.000 -0.026 0.000 3/16200 220.0 0.440 0.332 0.379 0.000 -0.025 0.000 3/16200 230.0 0.421 0.318 0.363 0.000 -0.024 0.000 3/16200 240.0 0.403 0.304 0.349 0.000 -0.023 0.000 3/16200 250.0 0.388 0.292 0.335 0.000 -0.023 0.000 3/16200 260.0 0.373 0.281 0.323 0.000 -0.022 0.000 3/16200 270.0 0.359 0.271 0.311 0.000 -0.021 0.000 3/16200 280.0 0.347 0.261 0.300 0.000 -0.021 0.000 3/16200 290.0 0.335 0.252 0.290 0.000 -0.020 0.000 3/16200 300.0 0.324 0.244 0.281 0.000 -0.019 0.000 3/16200 310.0 0.314 0.236 0.272 0.000 -0.019 0.000 3/16200 320.0 0.304 0.229 0.264 0.000 -0.018 0.000 3/16200 330.0 0.295 0.222 0.256 0.000 -0.018 0.000 3/16200 340.0 0.286 0.215 0.249 0.000 -0.017 0.000 3/16200 350.0 0.278 0.209 0.242 0.000 -0.017 0.000 3/16200 360.0 0.271 0.203 0.235 0.000 -0.017 0.000 3/16200 370.0 0.263 0.198 0.229 0.000 -0.016 0.000 3/16200 380.0 0.257 0.193 0.223 0.000 -0.016 0.000 3/16200 390.0 0.250 0.188 0.218 0.000 -0.015 0.000 3/16200 400.0 0.244 0.183 0.212 0.000 -0.015 0.000 3/16200 410.0 0.238 0.179 0.207 0.000 -0.015 0.000 3/16200 420.0 0.232 0.174 0.202 0.000 -0.014 0.000 3/16200 430.0 0.227 0.170 0.198 0.000 -0.014 0.000 3/16200 440.0 0.222 0.167 0.193 0.000 -0.014 0.000 3/16200 450.0 0.217 0.163 0.189 0.000 -0.014 0.000 3/16200 460.0 0.213 0.159 0.185 0.000 -0.013 0.000 3/16200 470.0 0.208 0.156 0.181 0.000 -0.013 0.000 3/16200 480.0 0.204 0.153 0.178 0.000 -0.013 0.000 3/16200 490.0 0.200 0.150 0.174 0.000 -0.013 0.000 3/16200 500.0 0.196 0.147 0.171 0.000 -0.012 0.000 3/16200 510.0 0.192 0.144 0.167 0.000 -0.012 0.000 3/16200 520.0 0.188 0.141 0.164 0.000 -0.012 0.000 3/16200 530.0 0.185 0.138 0.161 0.000 -0.012 0.000 3/16200 540.0 0.181 0.136 0.158 0.000 -0.012 0.000 3/16200 550.0 0.178 0.133 0.155 0.000 -0.011 0.000 3/16200 560.0 0.175 0.131 0.153 0.000 -0.011 0.000 3/16200 570.0 0.172 0.129 0.150 0.000 -0.011 0.000 3/16200 580.0 0.169 0.127 0.147 0.000 -0.011 0.000 3/16200 590.0 0.166 0.124 0.145 0.000 -0.011 0.000 3/16200 600.0 0.163 0.122 0.143 0.000 -0.010 0.000 3/16200 610.0 0.161 0.120 0.140 0.000 -0.010 0.000 3/16200 620.0 0.158 0.118 0.138 0.000 -0.010 0.000 3/16200 630.0 0.156 0.117 0.136 0.000 -0.010 0.000 3/16200 640.0 0.153 0.115 0.134 0.000 -0.010 0.000 3/16200 650.0 0.151 0.113 0.132 0.000 -0.010 0.000 3/16200 660.0 0.149 0.111 0.130 0.000 -0.010 0.000 3/16200 670.0 0.147 0.110 0.128 0.000 -0.009 0.000 3/16200 680.0 0.144 0.108 0.126 0.000 -0.009 0.000 3/16200 690.0 0.142 0.106 0.124 0.000 -0.009 0.000 3/16200 700.0 0.140 0.105 0.123 0.000 -0.009 0.000 3/16200 710.0 0.138 0.103 0.121 0.000 -0.009 0.000 3/16200 720.0 0.136 0.102 0.119 0.000 -0.009 0.000 3/16200 730.0 0.135 0.101 0.118 0.000 -0.009 0.000 3/16200 740.0 0.133 0.099 0.116 0.000 -0.009 0.000 3/16200 750.0 0.131 0.098 0.114 0.000 -0.008 0.000 3/16200 760.0 0.129 0.097 0.113 0.000 -0.008 0.000 3/16200 770.0 0.128 0.095 0.112 0.000 -0.008 0.000 3/16200 780.0 0.126 0.094 0.110 0.000 -0.008 0.000 3/16200 790.0 0.124 0.093 0.109 0.000 -0.008 0.000 3/16200 800.0 0.123 0.092 0.107 0.000 -0.008 0.000 3/16200 810.0 0.121 0.091 0.106 0.000 -0.008 0.000 3/16200 820.0 0.120 0.090 0.105 0.000 -0.008 0.000 3/16200 830.0 0.118 0.089 0.104 0.000 -0.008 0.000 3/16200 840.0 0.117 0.088 0.102 0.000 -0.008 0.000 3/16200 850.0 0.116 0.087 0.101 0.000 -0.008 0.000 3/16200 860.0 0.114 0.086 0.100 0.000 -0.007 0.000 3/16200 870.0 0.113 0.085 0.099 0.000 -0.007 0.000 3/16200 880.0 0.112 0.084 0.098 0.000 -0.007 0.000 3/16200 890.0 0.111 0.083 0.097 0.000 -0.007 0.000 3/16200 900.0 0.109 0.082 0.096 0.000 -0.007 0.000 3/16200 910.0 0.108 0.081 0.095 0.000 -0.007 0.000 3/16200 920.0 0.107 0.080 0.094 0.000 -0.007 0.000 3/16200 930.0 0.106 0.079 0.093 0.000 -0.007 0.000 3/16200 940.0 0.105 0.078 0.092 0.000 -0.007 0.000 3/16200 950.0 0.104 0.077 0.091 0.000 -0.007 0.000 3/16200 960.0 0.103 0.077 0.090 0.000 -0.007 0.000 3/16200 970.0 0.101 0.076 0.089 0.000 -0.007 0.000 3/16200 980.0 0.100 0.075 0.088 0.000 -0.007 0.000 3/16200 990.0 0.099 0.074 0.087 0.000 -0.006 0.000 3/16200 1000.0 0.098 0.074 0.086 0.000 -0.006 0.000 3/16200 Thermal conductivity related properties were written into "kappa-m556.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:40:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|