----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:32:33]------------------------- Compiled with OpenMP support (max 48 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.105023850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 2.993944310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.558167550000000 Atomic positions (fractional): *1 O 0.08278080289979 0.25000000000000 0.92759886681813 15.999 2 O 0.91721919710021 0.75000000000000 0.07240113318187 15.999 3 O 0.58278080289979 0.25000000000000 0.57240113318187 15.999 4 O 0.41721919710021 0.75000000000000 0.42759886681813 15.999 *5 O 0.97311125969664 0.25000000000000 0.28340107669342 15.999 6 O 0.02688874030336 0.75000000000000 0.71659892330658 15.999 7 O 0.47311125969664 0.25000000000000 0.21659892330658 15.999 8 O 0.52688874030336 0.75000000000000 0.78340107669342 15.999 *9 O 0.38149166128169 0.25000000000000 0.97718699837797 15.999 10 O 0.61850833871831 0.75000000000000 0.02281300162203 15.999 11 O 0.88149166128169 0.25000000000000 0.52281300162203 15.999 12 O 0.11850833871831 0.75000000000000 0.47718699837797 15.999 *13 O 0.20449313222658 0.75000000000000 0.16236471227913 15.999 14 O 0.79550686777342 0.25000000000000 0.83763528772087 15.999 15 O 0.70449313222658 0.75000000000000 0.33763528772087 15.999 16 O 0.29550686777342 0.25000000000000 0.66236471227913 15.999 *17 Ca 0.75729152923492 0.75000000000000 0.65433764992690 40.078 18 Ca 0.24270847076508 0.25000000000000 0.34566235007310 40.078 19 Ca 0.25729152923492 0.75000000000000 0.84566235007310 40.078 20 Ca 0.74270847076508 0.25000000000000 0.15433764992690 40.078 *21 Ga 0.06506043928895 0.25000000000000 0.11159408603863 69.723 22 Ga 0.93493956071105 0.75000000000000 0.88840591396137 69.723 23 Ga 0.56506043928895 0.25000000000000 0.38840591396137 69.723 24 Ga 0.43493956071105 0.75000000000000 0.61159408603863 69.723 *25 Ga 0.41786519176521 0.75000000000000 0.10444987790270 69.723 26 Ga 0.58213480823479 0.25000000000000 0.89555012209730 69.723 27 Ga 0.91786519176521 0.75000000000000 0.39555012209730 69.723 28 Ga 0.08213480823479 0.25000000000000 0.60444987790270 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.105023850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 2.993944310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.558167550000000 Atomic positions (fractional): *1 O 0.08278080289979 0.25000000000000 0.92759886681813 15.999 > 1 2 O 0.91721919710021 0.75000000000000 0.07240113318187 15.999 > 2 3 O 0.58278080289979 0.25000000000000 0.57240113318187 15.999 > 3 4 O 0.41721919710021 0.75000000000000 0.42759886681813 15.999 > 4 *5 O 0.97311125969664 0.25000000000000 0.28340107669342 15.999 > 5 6 O 0.02688874030336 0.75000000000000 0.71659892330658 15.999 > 6 7 O 0.47311125969664 0.25000000000000 0.21659892330658 15.999 > 7 8 O 0.52688874030336 0.75000000000000 0.78340107669342 15.999 > 8 *9 O 0.38149166128169 0.25000000000000 0.97718699837797 15.999 > 9 10 O 0.61850833871831 0.75000000000000 0.02281300162203 15.999 > 10 11 O 0.88149166128169 0.25000000000000 0.52281300162203 15.999 > 11 12 O 0.11850833871831 0.75000000000000 0.47718699837797 15.999 > 12 *13 O 0.20449313222658 0.75000000000000 0.16236471227913 15.999 > 13 14 O 0.79550686777342 0.25000000000000 0.83763528772087 15.999 > 14 15 O 0.70449313222658 0.75000000000000 0.33763528772087 15.999 > 15 16 O 0.29550686777342 0.25000000000000 0.66236471227913 15.999 > 16 *17 Ca 0.75729152923492 0.75000000000000 0.65433764992690 40.078 > 17 18 Ca 0.24270847076508 0.25000000000000 0.34566235007310 40.078 > 18 19 Ca 0.25729152923492 0.75000000000000 0.84566235007310 40.078 > 19 20 Ca 0.74270847076508 0.25000000000000 0.15433764992690 40.078 > 20 *21 Ga 0.06506043928895 0.25000000000000 0.11159408603863 69.723 > 21 22 Ga 0.93493956071105 0.75000000000000 0.88840591396137 69.723 > 22 23 Ga 0.56506043928895 0.25000000000000 0.38840591396137 69.723 > 23 24 Ga 0.43493956071105 0.75000000000000 0.61159408603863 69.723 > 24 *25 Ga 0.41786519176521 0.75000000000000 0.10444987790270 69.723 > 25 26 Ga 0.58213480823479 0.25000000000000 0.89555012209730 69.723 > 26 27 Ga 0.91786519176521 0.75000000000000 0.39555012209730 69.723 > 27 28 Ga 0.08213480823479 0.25000000000000 0.60444987790270 69.723 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.105023850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.975777239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.558167550000000 Atomic positions (fractional): *1 O 0.08278080289979 0.06250000000000 0.92759886681813 15.999 > 1 2 O 0.08278080289979 0.31250000000000 0.92759886681813 15.999 > 1 3 O 0.08278080289979 0.56250000000000 0.92759886681813 15.999 > 1 4 O 0.08278080289979 0.81250000000000 0.92759886681813 15.999 > 1 5 O 0.91721919710021 0.18750000000000 0.07240113318187 15.999 > 2 6 O 0.91721919710021 0.43750000000000 0.07240113318187 15.999 > 2 7 O 0.91721919710021 0.68750000000000 0.07240113318187 15.999 > 2 8 O 0.91721919710021 0.93750000000000 0.07240113318187 15.999 > 2 9 O 0.58278080289979 0.06250000000000 0.57240113318187 15.999 > 3 10 O 0.58278080289979 0.31250000000000 0.57240113318187 15.999 > 3 11 O 0.58278080289979 0.56250000000000 0.57240113318187 15.999 > 3 12 O 0.58278080289979 0.81250000000000 0.57240113318187 15.999 > 3 13 O 0.41721919710021 0.18750000000000 0.42759886681813 15.999 > 4 14 O 0.41721919710021 0.43750000000000 0.42759886681813 15.999 > 4 15 O 0.41721919710021 0.68750000000000 0.42759886681813 15.999 > 4 16 O 0.41721919710021 0.93750000000000 0.42759886681813 15.999 > 4 *17 O 0.97311125969664 0.06250000000000 0.28340107669342 15.999 > 5 18 O 0.97311125969664 0.31250000000000 0.28340107669342 15.999 > 5 19 O 0.97311125969664 0.56250000000000 0.28340107669342 15.999 > 5 20 O 0.97311125969664 0.81250000000000 0.28340107669342 15.999 > 5 21 O 0.02688874030336 0.18750000000000 0.71659892330658 15.999 > 6 22 O 0.02688874030336 0.43750000000000 0.71659892330658 15.999 > 6 23 O 0.02688874030336 0.68750000000000 0.71659892330658 15.999 > 6 24 O 0.02688874030336 0.93750000000000 0.71659892330658 15.999 > 6 25 O 0.47311125969664 0.06250000000000 0.21659892330658 15.999 > 7 26 O 0.47311125969664 0.31250000000000 0.21659892330658 15.999 > 7 27 O 0.47311125969664 0.56250000000000 0.21659892330658 15.999 > 7 28 O 0.47311125969664 0.81250000000000 0.21659892330658 15.999 > 7 29 O 0.52688874030336 0.18750000000000 0.78340107669342 15.999 > 8 30 O 0.52688874030336 0.43750000000000 0.78340107669342 15.999 > 8 31 O 0.52688874030336 0.68750000000000 0.78340107669342 15.999 > 8 32 O 0.52688874030336 0.93750000000000 0.78340107669342 15.999 > 8 *33 O 0.38149166128169 0.06250000000000 0.97718699837797 15.999 > 9 34 O 0.38149166128169 0.31250000000000 0.97718699837797 15.999 > 9 35 O 0.38149166128169 0.56250000000000 0.97718699837797 15.999 > 9 36 O 0.38149166128169 0.81250000000000 0.97718699837797 15.999 > 9 37 O 0.61850833871831 0.18750000000000 0.02281300162203 15.999 > 10 38 O 0.61850833871831 0.43750000000000 0.02281300162203 15.999 > 10 39 O 0.61850833871831 0.68750000000000 0.02281300162203 15.999 > 10 40 O 0.61850833871831 0.93750000000000 0.02281300162203 15.999 > 10 41 O 0.88149166128169 0.06250000000000 0.52281300162203 15.999 > 11 42 O 0.88149166128169 0.31250000000000 0.52281300162203 15.999 > 11 43 O 0.88149166128169 0.56250000000000 0.52281300162203 15.999 > 11 44 O 0.88149166128169 0.81250000000000 0.52281300162203 15.999 > 11 45 O 0.11850833871831 0.18750000000000 0.47718699837797 15.999 > 12 46 O 0.11850833871831 0.43750000000000 0.47718699837797 15.999 > 12 47 O 0.11850833871831 0.68750000000000 0.47718699837797 15.999 > 12 48 O 0.11850833871831 0.93750000000000 0.47718699837797 15.999 > 12 *49 O 0.20449313222658 0.18750000000000 0.16236471227913 15.999 > 13 50 O 0.20449313222658 0.43750000000000 0.16236471227913 15.999 > 13 51 O 0.20449313222658 0.68750000000000 0.16236471227913 15.999 > 13 52 O 0.20449313222658 0.93750000000000 0.16236471227913 15.999 > 13 53 O 0.79550686777342 0.06250000000000 0.83763528772087 15.999 > 14 54 O 0.79550686777342 0.31250000000000 0.83763528772087 15.999 > 14 55 O 0.79550686777342 0.56250000000000 0.83763528772087 15.999 > 14 56 O 0.79550686777342 0.81250000000000 0.83763528772087 15.999 > 14 57 O 0.70449313222658 0.18750000000000 0.33763528772087 15.999 > 15 58 O 0.70449313222658 0.43750000000000 0.33763528772087 15.999 > 15 59 O 0.70449313222658 0.68750000000000 0.33763528772087 15.999 > 15 60 O 0.70449313222658 0.93750000000000 0.33763528772087 15.999 > 15 61 O 0.29550686777342 0.06250000000000 0.66236471227913 15.999 > 16 62 O 0.29550686777342 0.31250000000000 0.66236471227913 15.999 > 16 63 O 0.29550686777342 0.56250000000000 0.66236471227913 15.999 > 16 64 O 0.29550686777342 0.81250000000000 0.66236471227913 15.999 > 16 *65 Ca 0.75729152923492 0.18750000000000 0.65433764992690 40.078 > 17 66 Ca 0.75729152923492 0.43750000000000 0.65433764992690 40.078 > 17 67 Ca 0.75729152923492 0.68750000000000 0.65433764992690 40.078 > 17 68 Ca 0.75729152923492 0.93750000000000 0.65433764992690 40.078 > 17 69 Ca 0.24270847076508 0.06250000000000 0.34566235007310 40.078 > 18 70 Ca 0.24270847076508 0.31250000000000 0.34566235007310 40.078 > 18 71 Ca 0.24270847076508 0.56250000000000 0.34566235007310 40.078 > 18 72 Ca 0.24270847076508 0.81250000000000 0.34566235007310 40.078 > 18 73 Ca 0.25729152923492 0.18750000000000 0.84566235007310 40.078 > 19 74 Ca 0.25729152923492 0.43750000000000 0.84566235007310 40.078 > 19 75 Ca 0.25729152923492 0.68750000000000 0.84566235007310 40.078 > 19 76 Ca 0.25729152923492 0.93750000000000 0.84566235007310 40.078 > 19 77 Ca 0.74270847076508 0.06250000000000 0.15433764992690 40.078 > 20 78 Ca 0.74270847076508 0.31250000000000 0.15433764992690 40.078 > 20 79 Ca 0.74270847076508 0.56250000000000 0.15433764992690 40.078 > 20 80 Ca 0.74270847076508 0.81250000000000 0.15433764992690 40.078 > 20 *81 Ga 0.06506043928895 0.06250000000000 0.11159408603863 69.723 > 21 82 Ga 0.06506043928895 0.31250000000000 0.11159408603863 69.723 > 21 83 Ga 0.06506043928895 0.56250000000000 0.11159408603863 69.723 > 21 84 Ga 0.06506043928895 0.81250000000000 0.11159408603863 69.723 > 21 85 Ga 0.93493956071105 0.18750000000000 0.88840591396137 69.723 > 22 86 Ga 0.93493956071105 0.43750000000000 0.88840591396137 69.723 > 22 87 Ga 0.93493956071105 0.68750000000000 0.88840591396137 69.723 > 22 88 Ga 0.93493956071105 0.93750000000000 0.88840591396137 69.723 > 22 89 Ga 0.56506043928895 0.06250000000000 0.38840591396137 69.723 > 23 90 Ga 0.56506043928895 0.31250000000000 0.38840591396137 69.723 > 23 91 Ga 0.56506043928895 0.56250000000000 0.38840591396137 69.723 > 23 92 Ga 0.56506043928895 0.81250000000000 0.38840591396137 69.723 > 23 93 Ga 0.43493956071105 0.18750000000000 0.61159408603863 69.723 > 24 94 Ga 0.43493956071105 0.43750000000000 0.61159408603863 69.723 > 24 95 Ga 0.43493956071105 0.68750000000000 0.61159408603863 69.723 > 24 96 Ga 0.43493956071105 0.93750000000000 0.61159408603863 69.723 > 24 *97 Ga 0.41786519176521 0.18750000000000 0.10444987790270 69.723 > 25 98 Ga 0.41786519176521 0.43750000000000 0.10444987790270 69.723 > 25 99 Ga 0.41786519176521 0.68750000000000 0.10444987790270 69.723 > 25 100 Ga 0.41786519176521 0.93750000000000 0.10444987790270 69.723 > 25 101 Ga 0.58213480823479 0.06250000000000 0.89555012209730 69.723 > 26 102 Ga 0.58213480823479 0.31250000000000 0.89555012209730 69.723 > 26 103 Ga 0.58213480823479 0.56250000000000 0.89555012209730 69.723 > 26 104 Ga 0.58213480823479 0.81250000000000 0.89555012209730 69.723 > 26 105 Ga 0.91786519176521 0.18750000000000 0.39555012209730 69.723 > 27 106 Ga 0.91786519176521 0.43750000000000 0.39555012209730 69.723 > 27 107 Ga 0.91786519176521 0.68750000000000 0.39555012209730 69.723 > 27 108 Ga 0.91786519176521 0.93750000000000 0.39555012209730 69.723 > 27 109 Ga 0.08213480823479 0.06250000000000 0.60444987790270 69.723 > 28 110 Ga 0.08213480823479 0.31250000000000 0.60444987790270 69.723 > 28 111 Ga 0.08213480823479 0.56250000000000 0.60444987790270 69.723 > 28 112 Ga 0.08213480823479 0.81250000000000 0.60444987790270 69.723 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2720732 0.0000000 0.0000000 0.0000000 4.4098176 0.0000000 0.0000000 0.0000000 4.2701450 -------------------------- Born effective charges -------------------------- 1 O -2.1263709 0.0000000 0.1314520 0.0000000 -2.3293502 0.0000000 0.0080079 0.0000000 -2.0892161 2 O -2.1263709 0.0000000 0.1314520 0.0000000 -2.3293502 0.0000000 0.0080079 0.0000000 -2.0892161 3 O -2.1263709 0.0000000 -0.1314520 0.0000000 -2.3293502 0.0000000 -0.0080079 0.0000000 -2.0892161 4 O -2.1263709 0.0000000 -0.1314520 0.0000000 -2.3293502 0.0000000 -0.0080079 0.0000000 -2.0892161 5 O -2.0018074 0.0000000 0.2572596 0.0000000 -2.1105096 0.0000000 0.2622894 0.0000000 -2.5118420 6 O -2.0018074 0.0000000 0.2572596 0.0000000 -2.1105096 0.0000000 0.2622894 0.0000000 -2.5118420 7 O -2.0018074 0.0000000 -0.2572596 0.0000000 -2.1105096 0.0000000 -0.2622894 0.0000000 -2.5118420 8 O -2.0018074 0.0000000 -0.2572596 0.0000000 -2.1105096 0.0000000 -0.2622894 0.0000000 -2.5118420 9 O -2.0451109 0.0000000 -0.0903368 0.0000000 -2.3713424 0.0000000 -0.0589244 0.0000000 -2.2592510 10 O -2.0451109 0.0000000 -0.0903368 0.0000000 -2.3713424 0.0000000 -0.0589244 0.0000000 -2.2592510 11 O -2.0451109 0.0000000 0.0903368 0.0000000 -2.3713424 0.0000000 0.0589244 0.0000000 -2.2592510 12 O -2.0451109 0.0000000 0.0903368 0.0000000 -2.3713424 0.0000000 0.0589244 0.0000000 -2.2592510 13 O -2.5539794 0.0000000 -0.1109254 0.0000000 -2.3613015 0.0000000 -0.0507811 0.0000000 -1.9158179 14 O -2.5539794 0.0000000 -0.1109254 0.0000000 -2.3613015 0.0000000 -0.0507811 0.0000000 -1.9158179 15 O -2.5539794 0.0000000 0.1109254 0.0000000 -2.3613015 0.0000000 0.0507811 0.0000000 -1.9158179 16 O -2.5539794 0.0000000 0.1109254 0.0000000 -2.3613015 0.0000000 0.0507811 0.0000000 -1.9158179 17 Ca 2.6002061 0.0000000 0.0183929 0.0000000 2.3409744 0.0000000 -0.0938817 0.0000000 2.4302410 18 Ca 2.6002061 0.0000000 0.0183929 0.0000000 2.3409744 0.0000000 -0.0938817 0.0000000 2.4302410 19 Ca 2.6002061 0.0000000 -0.0183929 0.0000000 2.3409744 0.0000000 0.0938817 0.0000000 2.4302410 20 Ca 2.6002061 0.0000000 -0.0183929 0.0000000 2.3409744 0.0000000 0.0938817 0.0000000 2.4302410 21 Ga 2.9983002 0.0000000 0.0703992 0.0000000 3.4089236 0.0000000 0.0374655 0.0000000 3.2719512 22 Ga 2.9983002 0.0000000 0.0703992 0.0000000 3.4089236 0.0000000 0.0374655 0.0000000 3.2719512 23 Ga 2.9983002 0.0000000 -0.0703992 0.0000000 3.4089236 0.0000000 -0.0374655 0.0000000 3.2719512 24 Ga 2.9983002 0.0000000 -0.0703992 0.0000000 3.4089236 0.0000000 -0.0374655 0.0000000 3.2719512 25 Ga 3.1287623 0.0000000 -0.2411782 0.0000000 3.4226058 0.0000000 -0.1756165 0.0000000 3.0739347 26 Ga 3.1287623 0.0000000 -0.2411782 0.0000000 3.4226058 0.0000000 -0.1756165 0.0000000 3.0739347 27 Ga 3.1287623 0.0000000 0.2411782 0.0000000 3.4226058 0.0000000 0.1756165 0.0000000 3.0739347 28 Ga 3.1287623 0.0000000 0.2411782 0.0000000 3.4226058 0.0000000 0.1756165 0.0000000 3.0739347 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 480 - Time: 0.671 Solver_block: 200 / 480 - Time: 0.623 Solver_block: 300 / 480 - Time: 0.613 Solver_block: 400 / 480 - Time: 0.609 Solver_block: 480 / 480 - Time: 0.572 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.138 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:33:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:33:01]------------------------- Compiled with OpenMP support (max 48 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.105023850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 2.993944310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.558167550000000 Atomic positions (fractional): 1 O 0.08278080289979 0.25000000000000 0.92759886681813 15.999 2 O 0.91721919710021 0.75000000000000 0.07240113318187 15.999 3 O 0.58278080289979 0.25000000000000 0.57240113318187 15.999 4 O 0.41721919710021 0.75000000000000 0.42759886681813 15.999 5 O 0.97311125969664 0.25000000000000 0.28340107669342 15.999 6 O 0.02688874030336 0.75000000000000 0.71659892330658 15.999 7 O 0.47311125969664 0.25000000000000 0.21659892330658 15.999 8 O 0.52688874030336 0.75000000000000 0.78340107669342 15.999 9 O 0.38149166128169 0.25000000000000 0.97718699837797 15.999 10 O 0.61850833871831 0.75000000000000 0.02281300162203 15.999 11 O 0.88149166128169 0.25000000000000 0.52281300162203 15.999 12 O 0.11850833871831 0.75000000000000 0.47718699837797 15.999 13 O 0.20449313222658 0.75000000000000 0.16236471227913 15.999 14 O 0.79550686777342 0.25000000000000 0.83763528772087 15.999 15 O 0.70449313222658 0.75000000000000 0.33763528772087 15.999 16 O 0.29550686777342 0.25000000000000 0.66236471227913 15.999 17 Ca 0.75729152923492 0.75000000000000 0.65433764992690 40.078 18 Ca 0.24270847076508 0.25000000000000 0.34566235007310 40.078 19 Ca 0.25729152923492 0.75000000000000 0.84566235007310 40.078 20 Ca 0.74270847076508 0.25000000000000 0.15433764992690 40.078 21 Ga 0.06506043928895 0.25000000000000 0.11159408603863 69.723 22 Ga 0.93493956071105 0.75000000000000 0.88840591396137 69.723 23 Ga 0.56506043928895 0.25000000000000 0.38840591396137 69.723 24 Ga 0.43493956071105 0.75000000000000 0.61159408603863 69.723 25 Ga 0.41786519176521 0.75000000000000 0.10444987790270 69.723 26 Ga 0.58213480823479 0.25000000000000 0.89555012209730 69.723 27 Ga 0.91786519176521 0.75000000000000 0.39555012209730 69.723 28 Ga 0.08213480823479 0.25000000000000 0.60444987790270 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.105023850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.975777239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.558167550000000 Atomic positions (fractional): 1 O 0.08278080289979 0.06250000000000 0.92759886681813 15.999 > 1 2 O 0.08278080289979 0.31250000000000 0.92759886681813 15.999 > 1 3 O 0.08278080289979 0.56250000000000 0.92759886681813 15.999 > 1 4 O 0.08278080289979 0.81250000000000 0.92759886681813 15.999 > 1 5 O 0.91721919710021 0.18750000000000 0.07240113318187 15.999 > 5 6 O 0.91721919710021 0.43750000000000 0.07240113318187 15.999 > 5 7 O 0.91721919710021 0.68750000000000 0.07240113318187 15.999 > 5 8 O 0.91721919710021 0.93750000000000 0.07240113318187 15.999 > 5 9 O 0.58278080289979 0.06250000000000 0.57240113318187 15.999 > 9 10 O 0.58278080289979 0.31250000000000 0.57240113318187 15.999 > 9 11 O 0.58278080289979 0.56250000000000 0.57240113318187 15.999 > 9 12 O 0.58278080289979 0.81250000000000 0.57240113318187 15.999 > 9 13 O 0.41721919710021 0.18750000000000 0.42759886681813 15.999 > 13 14 O 0.41721919710021 0.43750000000000 0.42759886681813 15.999 > 13 15 O 0.41721919710021 0.68750000000000 0.42759886681813 15.999 > 13 16 O 0.41721919710021 0.93750000000000 0.42759886681813 15.999 > 13 17 O 0.97311125969664 0.06250000000000 0.28340107669342 15.999 > 17 18 O 0.97311125969664 0.31250000000000 0.28340107669342 15.999 > 17 19 O 0.97311125969664 0.56250000000000 0.28340107669342 15.999 > 17 20 O 0.97311125969664 0.81250000000000 0.28340107669342 15.999 > 17 21 O 0.02688874030336 0.18750000000000 0.71659892330658 15.999 > 21 22 O 0.02688874030336 0.43750000000000 0.71659892330658 15.999 > 21 23 O 0.02688874030336 0.68750000000000 0.71659892330658 15.999 > 21 24 O 0.02688874030336 0.93750000000000 0.71659892330658 15.999 > 21 25 O 0.47311125969664 0.06250000000000 0.21659892330658 15.999 > 25 26 O 0.47311125969664 0.31250000000000 0.21659892330658 15.999 > 25 27 O 0.47311125969664 0.56250000000000 0.21659892330658 15.999 > 25 28 O 0.47311125969664 0.81250000000000 0.21659892330658 15.999 > 25 29 O 0.52688874030336 0.18750000000000 0.78340107669342 15.999 > 29 30 O 0.52688874030336 0.43750000000000 0.78340107669342 15.999 > 29 31 O 0.52688874030336 0.68750000000000 0.78340107669342 15.999 > 29 32 O 0.52688874030336 0.93750000000000 0.78340107669342 15.999 > 29 33 O 0.38149166128169 0.06250000000000 0.97718699837797 15.999 > 33 34 O 0.38149166128169 0.31250000000000 0.97718699837797 15.999 > 33 35 O 0.38149166128169 0.56250000000000 0.97718699837797 15.999 > 33 36 O 0.38149166128169 0.81250000000000 0.97718699837797 15.999 > 33 37 O 0.61850833871831 0.18750000000000 0.02281300162203 15.999 > 37 38 O 0.61850833871831 0.43750000000000 0.02281300162203 15.999 > 37 39 O 0.61850833871831 0.68750000000000 0.02281300162203 15.999 > 37 40 O 0.61850833871831 0.93750000000000 0.02281300162203 15.999 > 37 41 O 0.88149166128169 0.06250000000000 0.52281300162203 15.999 > 41 42 O 0.88149166128169 0.31250000000000 0.52281300162203 15.999 > 41 43 O 0.88149166128169 0.56250000000000 0.52281300162203 15.999 > 41 44 O 0.88149166128169 0.81250000000000 0.52281300162203 15.999 > 41 45 O 0.11850833871831 0.18750000000000 0.47718699837797 15.999 > 45 46 O 0.11850833871831 0.43750000000000 0.47718699837797 15.999 > 45 47 O 0.11850833871831 0.68750000000000 0.47718699837797 15.999 > 45 48 O 0.11850833871831 0.93750000000000 0.47718699837797 15.999 > 45 49 O 0.20449313222658 0.18750000000000 0.16236471227913 15.999 > 49 50 O 0.20449313222658 0.43750000000000 0.16236471227913 15.999 > 49 51 O 0.20449313222658 0.68750000000000 0.16236471227913 15.999 > 49 52 O 0.20449313222658 0.93750000000000 0.16236471227913 15.999 > 49 53 O 0.79550686777342 0.06250000000000 0.83763528772087 15.999 > 53 54 O 0.79550686777342 0.31250000000000 0.83763528772087 15.999 > 53 55 O 0.79550686777342 0.56250000000000 0.83763528772087 15.999 > 53 56 O 0.79550686777342 0.81250000000000 0.83763528772087 15.999 > 53 57 O 0.70449313222658 0.18750000000000 0.33763528772087 15.999 > 57 58 O 0.70449313222658 0.43750000000000 0.33763528772087 15.999 > 57 59 O 0.70449313222658 0.68750000000000 0.33763528772087 15.999 > 57 60 O 0.70449313222658 0.93750000000000 0.33763528772087 15.999 > 57 61 O 0.29550686777342 0.06250000000000 0.66236471227913 15.999 > 61 62 O 0.29550686777342 0.31250000000000 0.66236471227913 15.999 > 61 63 O 0.29550686777342 0.56250000000000 0.66236471227913 15.999 > 61 64 O 0.29550686777342 0.81250000000000 0.66236471227913 15.999 > 61 65 Ca 0.75729152923492 0.18750000000000 0.65433764992690 40.078 > 65 66 Ca 0.75729152923492 0.43750000000000 0.65433764992690 40.078 > 65 67 Ca 0.75729152923492 0.68750000000000 0.65433764992690 40.078 > 65 68 Ca 0.75729152923492 0.93750000000000 0.65433764992690 40.078 > 65 69 Ca 0.24270847076508 0.06250000000000 0.34566235007310 40.078 > 69 70 Ca 0.24270847076508 0.31250000000000 0.34566235007310 40.078 > 69 71 Ca 0.24270847076508 0.56250000000000 0.34566235007310 40.078 > 69 72 Ca 0.24270847076508 0.81250000000000 0.34566235007310 40.078 > 69 73 Ca 0.25729152923492 0.18750000000000 0.84566235007310 40.078 > 73 74 Ca 0.25729152923492 0.43750000000000 0.84566235007310 40.078 > 73 75 Ca 0.25729152923492 0.68750000000000 0.84566235007310 40.078 > 73 76 Ca 0.25729152923492 0.93750000000000 0.84566235007310 40.078 > 73 77 Ca 0.74270847076508 0.06250000000000 0.15433764992690 40.078 > 77 78 Ca 0.74270847076508 0.31250000000000 0.15433764992690 40.078 > 77 79 Ca 0.74270847076508 0.56250000000000 0.15433764992690 40.078 > 77 80 Ca 0.74270847076508 0.81250000000000 0.15433764992690 40.078 > 77 81 Ga 0.06506043928895 0.06250000000000 0.11159408603863 69.723 > 81 82 Ga 0.06506043928895 0.31250000000000 0.11159408603863 69.723 > 81 83 Ga 0.06506043928895 0.56250000000000 0.11159408603863 69.723 > 81 84 Ga 0.06506043928895 0.81250000000000 0.11159408603863 69.723 > 81 85 Ga 0.93493956071105 0.18750000000000 0.88840591396137 69.723 > 85 86 Ga 0.93493956071105 0.43750000000000 0.88840591396137 69.723 > 85 87 Ga 0.93493956071105 0.68750000000000 0.88840591396137 69.723 > 85 88 Ga 0.93493956071105 0.93750000000000 0.88840591396137 69.723 > 85 89 Ga 0.56506043928895 0.06250000000000 0.38840591396137 69.723 > 89 90 Ga 0.56506043928895 0.31250000000000 0.38840591396137 69.723 > 89 91 Ga 0.56506043928895 0.56250000000000 0.38840591396137 69.723 > 89 92 Ga 0.56506043928895 0.81250000000000 0.38840591396137 69.723 > 89 93 Ga 0.43493956071105 0.18750000000000 0.61159408603863 69.723 > 93 94 Ga 0.43493956071105 0.43750000000000 0.61159408603863 69.723 > 93 95 Ga 0.43493956071105 0.68750000000000 0.61159408603863 69.723 > 93 96 Ga 0.43493956071105 0.93750000000000 0.61159408603863 69.723 > 93 97 Ga 0.41786519176521 0.18750000000000 0.10444987790270 69.723 > 97 98 Ga 0.41786519176521 0.43750000000000 0.10444987790270 69.723 > 97 99 Ga 0.41786519176521 0.68750000000000 0.10444987790270 69.723 > 97 100 Ga 0.41786519176521 0.93750000000000 0.10444987790270 69.723 > 97 101 Ga 0.58213480823479 0.06250000000000 0.89555012209730 69.723 > 101 102 Ga 0.58213480823479 0.31250000000000 0.89555012209730 69.723 > 101 103 Ga 0.58213480823479 0.56250000000000 0.89555012209730 69.723 > 101 104 Ga 0.58213480823479 0.81250000000000 0.89555012209730 69.723 > 101 105 Ga 0.91786519176521 0.18750000000000 0.39555012209730 69.723 > 105 106 Ga 0.91786519176521 0.43750000000000 0.39555012209730 69.723 > 105 107 Ga 0.91786519176521 0.68750000000000 0.39555012209730 69.723 > 105 108 Ga 0.91786519176521 0.93750000000000 0.39555012209730 69.723 > 105 109 Ga 0.08213480823479 0.06250000000000 0.60444987790270 69.723 > 109 110 Ga 0.08213480823479 0.31250000000000 0.60444987790270 69.723 > 109 111 Ga 0.08213480823479 0.56250000000000 0.60444987790270 69.723 > 109 112 Ga 0.08213480823479 0.81250000000000 0.60444987790270 69.723 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2720732 0.0000000 0.0000000 0.0000000 4.4098176 0.0000000 0.0000000 0.0000000 4.2701450 -------------------------- Born effective charges -------------------------- 1 O -2.1263709 0.0000000 0.1314520 0.0000000 -2.3293502 0.0000000 0.0080079 0.0000000 -2.0892161 2 O -2.1263709 0.0000000 0.1314520 0.0000000 -2.3293502 0.0000000 0.0080079 0.0000000 -2.0892161 3 O -2.1263709 0.0000000 -0.1314520 0.0000000 -2.3293502 0.0000000 -0.0080079 0.0000000 -2.0892161 4 O -2.1263709 0.0000000 -0.1314520 0.0000000 -2.3293502 0.0000000 -0.0080079 0.0000000 -2.0892161 5 O -2.0018074 0.0000000 0.2572596 0.0000000 -2.1105096 0.0000000 0.2622894 0.0000000 -2.5118420 6 O -2.0018074 0.0000000 0.2572596 0.0000000 -2.1105096 0.0000000 0.2622894 0.0000000 -2.5118420 7 O -2.0018074 0.0000000 -0.2572596 0.0000000 -2.1105096 0.0000000 -0.2622894 0.0000000 -2.5118420 8 O -2.0018074 0.0000000 -0.2572596 0.0000000 -2.1105096 0.0000000 -0.2622894 0.0000000 -2.5118420 9 O -2.0451109 0.0000000 -0.0903368 0.0000000 -2.3713424 0.0000000 -0.0589244 0.0000000 -2.2592510 10 O -2.0451109 0.0000000 -0.0903368 0.0000000 -2.3713424 0.0000000 -0.0589244 0.0000000 -2.2592510 11 O -2.0451109 0.0000000 0.0903368 0.0000000 -2.3713424 0.0000000 0.0589244 0.0000000 -2.2592510 12 O -2.0451109 0.0000000 0.0903368 0.0000000 -2.3713424 0.0000000 0.0589244 0.0000000 -2.2592510 13 O -2.5539794 0.0000000 -0.1109254 0.0000000 -2.3613015 0.0000000 -0.0507811 0.0000000 -1.9158179 14 O -2.5539794 0.0000000 -0.1109254 0.0000000 -2.3613015 0.0000000 -0.0507811 0.0000000 -1.9158179 15 O -2.5539794 0.0000000 0.1109254 0.0000000 -2.3613015 0.0000000 0.0507811 0.0000000 -1.9158179 16 O -2.5539794 0.0000000 0.1109254 0.0000000 -2.3613015 0.0000000 0.0507811 0.0000000 -1.9158179 17 Ca 2.6002061 0.0000000 0.0183929 0.0000000 2.3409744 0.0000000 -0.0938817 0.0000000 2.4302410 18 Ca 2.6002061 0.0000000 0.0183929 0.0000000 2.3409744 0.0000000 -0.0938817 0.0000000 2.4302410 19 Ca 2.6002061 0.0000000 -0.0183929 0.0000000 2.3409744 0.0000000 0.0938817 0.0000000 2.4302410 20 Ca 2.6002061 0.0000000 -0.0183929 0.0000000 2.3409744 0.0000000 0.0938817 0.0000000 2.4302410 21 Ga 2.9983002 0.0000000 0.0703992 0.0000000 3.4089236 0.0000000 0.0374655 0.0000000 3.2719512 22 Ga 2.9983002 0.0000000 0.0703992 0.0000000 3.4089236 0.0000000 0.0374655 0.0000000 3.2719512 23 Ga 2.9983002 0.0000000 -0.0703992 0.0000000 3.4089236 0.0000000 -0.0374655 0.0000000 3.2719512 24 Ga 2.9983002 0.0000000 -0.0703992 0.0000000 3.4089236 0.0000000 -0.0374655 0.0000000 3.2719512 25 Ga 3.1287623 0.0000000 -0.2411782 0.0000000 3.4226058 0.0000000 -0.1756165 0.0000000 3.0739347 26 Ga 3.1287623 0.0000000 -0.2411782 0.0000000 3.4226058 0.0000000 -0.1756165 0.0000000 3.0739347 27 Ga 3.1287623 0.0000000 0.2411782 0.0000000 3.4226058 0.0000000 0.1756165 0.0000000 3.0739347 28 Ga 3.1287623 0.0000000 0.2411782 0.0000000 3.4226058 0.0000000 0.1756165 0.0000000 3.0739347 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 2026-01-07 20:33:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:33:29]------------------------- Compiled with OpenMP support (max 48 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.105023850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 2.993944310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.558167550000000 Atomic positions (fractional): 1 O 0.08278080289979 0.25000000000000 0.92759886681813 15.999 2 O 0.91721919710021 0.75000000000000 0.07240113318187 15.999 3 O 0.58278080289979 0.25000000000000 0.57240113318187 15.999 4 O 0.41721919710021 0.75000000000000 0.42759886681813 15.999 5 O 0.97311125969664 0.25000000000000 0.28340107669342 15.999 6 O 0.02688874030336 0.75000000000000 0.71659892330658 15.999 7 O 0.47311125969664 0.25000000000000 0.21659892330658 15.999 8 O 0.52688874030336 0.75000000000000 0.78340107669342 15.999 9 O 0.38149166128169 0.25000000000000 0.97718699837797 15.999 10 O 0.61850833871831 0.75000000000000 0.02281300162203 15.999 11 O 0.88149166128169 0.25000000000000 0.52281300162203 15.999 12 O 0.11850833871831 0.75000000000000 0.47718699837797 15.999 13 O 0.20449313222658 0.75000000000000 0.16236471227913 15.999 14 O 0.79550686777342 0.25000000000000 0.83763528772087 15.999 15 O 0.70449313222658 0.75000000000000 0.33763528772087 15.999 16 O 0.29550686777342 0.25000000000000 0.66236471227913 15.999 17 Ca 0.75729152923492 0.75000000000000 0.65433764992690 40.078 18 Ca 0.24270847076508 0.25000000000000 0.34566235007310 40.078 19 Ca 0.25729152923492 0.75000000000000 0.84566235007310 40.078 20 Ca 0.74270847076508 0.25000000000000 0.15433764992690 40.078 21 Ga 0.06506043928895 0.25000000000000 0.11159408603863 69.723 22 Ga 0.93493956071105 0.75000000000000 0.88840591396137 69.723 23 Ga 0.56506043928895 0.25000000000000 0.38840591396137 69.723 24 Ga 0.43493956071105 0.75000000000000 0.61159408603863 69.723 25 Ga 0.41786519176521 0.75000000000000 0.10444987790270 69.723 26 Ga 0.58213480823479 0.25000000000000 0.89555012209730 69.723 27 Ga 0.91786519176521 0.75000000000000 0.39555012209730 69.723 28 Ga 0.08213480823479 0.25000000000000 0.60444987790270 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.105023850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.975777239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.558167550000000 Atomic positions (fractional): 1 O 0.08278080289979 0.06250000000000 0.92759886681813 15.999 > 1 2 O 0.08278080289979 0.31250000000000 0.92759886681813 15.999 > 1 3 O 0.08278080289979 0.56250000000000 0.92759886681813 15.999 > 1 4 O 0.08278080289979 0.81250000000000 0.92759886681813 15.999 > 1 5 O 0.91721919710021 0.18750000000000 0.07240113318187 15.999 > 5 6 O 0.91721919710021 0.43750000000000 0.07240113318187 15.999 > 5 7 O 0.91721919710021 0.68750000000000 0.07240113318187 15.999 > 5 8 O 0.91721919710021 0.93750000000000 0.07240113318187 15.999 > 5 9 O 0.58278080289979 0.06250000000000 0.57240113318187 15.999 > 9 10 O 0.58278080289979 0.31250000000000 0.57240113318187 15.999 > 9 11 O 0.58278080289979 0.56250000000000 0.57240113318187 15.999 > 9 12 O 0.58278080289979 0.81250000000000 0.57240113318187 15.999 > 9 13 O 0.41721919710021 0.18750000000000 0.42759886681813 15.999 > 13 14 O 0.41721919710021 0.43750000000000 0.42759886681813 15.999 > 13 15 O 0.41721919710021 0.68750000000000 0.42759886681813 15.999 > 13 16 O 0.41721919710021 0.93750000000000 0.42759886681813 15.999 > 13 17 O 0.97311125969664 0.06250000000000 0.28340107669342 15.999 > 17 18 O 0.97311125969664 0.31250000000000 0.28340107669342 15.999 > 17 19 O 0.97311125969664 0.56250000000000 0.28340107669342 15.999 > 17 20 O 0.97311125969664 0.81250000000000 0.28340107669342 15.999 > 17 21 O 0.02688874030336 0.18750000000000 0.71659892330658 15.999 > 21 22 O 0.02688874030336 0.43750000000000 0.71659892330658 15.999 > 21 23 O 0.02688874030336 0.68750000000000 0.71659892330658 15.999 > 21 24 O 0.02688874030336 0.93750000000000 0.71659892330658 15.999 > 21 25 O 0.47311125969664 0.06250000000000 0.21659892330658 15.999 > 25 26 O 0.47311125969664 0.31250000000000 0.21659892330658 15.999 > 25 27 O 0.47311125969664 0.56250000000000 0.21659892330658 15.999 > 25 28 O 0.47311125969664 0.81250000000000 0.21659892330658 15.999 > 25 29 O 0.52688874030336 0.18750000000000 0.78340107669342 15.999 > 29 30 O 0.52688874030336 0.43750000000000 0.78340107669342 15.999 > 29 31 O 0.52688874030336 0.68750000000000 0.78340107669342 15.999 > 29 32 O 0.52688874030336 0.93750000000000 0.78340107669342 15.999 > 29 33 O 0.38149166128169 0.06250000000000 0.97718699837797 15.999 > 33 34 O 0.38149166128169 0.31250000000000 0.97718699837797 15.999 > 33 35 O 0.38149166128169 0.56250000000000 0.97718699837797 15.999 > 33 36 O 0.38149166128169 0.81250000000000 0.97718699837797 15.999 > 33 37 O 0.61850833871831 0.18750000000000 0.02281300162203 15.999 > 37 38 O 0.61850833871831 0.43750000000000 0.02281300162203 15.999 > 37 39 O 0.61850833871831 0.68750000000000 0.02281300162203 15.999 > 37 40 O 0.61850833871831 0.93750000000000 0.02281300162203 15.999 > 37 41 O 0.88149166128169 0.06250000000000 0.52281300162203 15.999 > 41 42 O 0.88149166128169 0.31250000000000 0.52281300162203 15.999 > 41 43 O 0.88149166128169 0.56250000000000 0.52281300162203 15.999 > 41 44 O 0.88149166128169 0.81250000000000 0.52281300162203 15.999 > 41 45 O 0.11850833871831 0.18750000000000 0.47718699837797 15.999 > 45 46 O 0.11850833871831 0.43750000000000 0.47718699837797 15.999 > 45 47 O 0.11850833871831 0.68750000000000 0.47718699837797 15.999 > 45 48 O 0.11850833871831 0.93750000000000 0.47718699837797 15.999 > 45 49 O 0.20449313222658 0.18750000000000 0.16236471227913 15.999 > 49 50 O 0.20449313222658 0.43750000000000 0.16236471227913 15.999 > 49 51 O 0.20449313222658 0.68750000000000 0.16236471227913 15.999 > 49 52 O 0.20449313222658 0.93750000000000 0.16236471227913 15.999 > 49 53 O 0.79550686777342 0.06250000000000 0.83763528772087 15.999 > 53 54 O 0.79550686777342 0.31250000000000 0.83763528772087 15.999 > 53 55 O 0.79550686777342 0.56250000000000 0.83763528772087 15.999 > 53 56 O 0.79550686777342 0.81250000000000 0.83763528772087 15.999 > 53 57 O 0.70449313222658 0.18750000000000 0.33763528772087 15.999 > 57 58 O 0.70449313222658 0.43750000000000 0.33763528772087 15.999 > 57 59 O 0.70449313222658 0.68750000000000 0.33763528772087 15.999 > 57 60 O 0.70449313222658 0.93750000000000 0.33763528772087 15.999 > 57 61 O 0.29550686777342 0.06250000000000 0.66236471227913 15.999 > 61 62 O 0.29550686777342 0.31250000000000 0.66236471227913 15.999 > 61 63 O 0.29550686777342 0.56250000000000 0.66236471227913 15.999 > 61 64 O 0.29550686777342 0.81250000000000 0.66236471227913 15.999 > 61 65 Ca 0.75729152923492 0.18750000000000 0.65433764992690 40.078 > 65 66 Ca 0.75729152923492 0.43750000000000 0.65433764992690 40.078 > 65 67 Ca 0.75729152923492 0.68750000000000 0.65433764992690 40.078 > 65 68 Ca 0.75729152923492 0.93750000000000 0.65433764992690 40.078 > 65 69 Ca 0.24270847076508 0.06250000000000 0.34566235007310 40.078 > 69 70 Ca 0.24270847076508 0.31250000000000 0.34566235007310 40.078 > 69 71 Ca 0.24270847076508 0.56250000000000 0.34566235007310 40.078 > 69 72 Ca 0.24270847076508 0.81250000000000 0.34566235007310 40.078 > 69 73 Ca 0.25729152923492 0.18750000000000 0.84566235007310 40.078 > 73 74 Ca 0.25729152923492 0.43750000000000 0.84566235007310 40.078 > 73 75 Ca 0.25729152923492 0.68750000000000 0.84566235007310 40.078 > 73 76 Ca 0.25729152923492 0.93750000000000 0.84566235007310 40.078 > 73 77 Ca 0.74270847076508 0.06250000000000 0.15433764992690 40.078 > 77 78 Ca 0.74270847076508 0.31250000000000 0.15433764992690 40.078 > 77 79 Ca 0.74270847076508 0.56250000000000 0.15433764992690 40.078 > 77 80 Ca 0.74270847076508 0.81250000000000 0.15433764992690 40.078 > 77 81 Ga 0.06506043928895 0.06250000000000 0.11159408603863 69.723 > 81 82 Ga 0.06506043928895 0.31250000000000 0.11159408603863 69.723 > 81 83 Ga 0.06506043928895 0.56250000000000 0.11159408603863 69.723 > 81 84 Ga 0.06506043928895 0.81250000000000 0.11159408603863 69.723 > 81 85 Ga 0.93493956071105 0.18750000000000 0.88840591396137 69.723 > 85 86 Ga 0.93493956071105 0.43750000000000 0.88840591396137 69.723 > 85 87 Ga 0.93493956071105 0.68750000000000 0.88840591396137 69.723 > 85 88 Ga 0.93493956071105 0.93750000000000 0.88840591396137 69.723 > 85 89 Ga 0.56506043928895 0.06250000000000 0.38840591396137 69.723 > 89 90 Ga 0.56506043928895 0.31250000000000 0.38840591396137 69.723 > 89 91 Ga 0.56506043928895 0.56250000000000 0.38840591396137 69.723 > 89 92 Ga 0.56506043928895 0.81250000000000 0.38840591396137 69.723 > 89 93 Ga 0.43493956071105 0.18750000000000 0.61159408603863 69.723 > 93 94 Ga 0.43493956071105 0.43750000000000 0.61159408603863 69.723 > 93 95 Ga 0.43493956071105 0.68750000000000 0.61159408603863 69.723 > 93 96 Ga 0.43493956071105 0.93750000000000 0.61159408603863 69.723 > 93 97 Ga 0.41786519176521 0.18750000000000 0.10444987790270 69.723 > 97 98 Ga 0.41786519176521 0.43750000000000 0.10444987790270 69.723 > 97 99 Ga 0.41786519176521 0.68750000000000 0.10444987790270 69.723 > 97 100 Ga 0.41786519176521 0.93750000000000 0.10444987790270 69.723 > 97 101 Ga 0.58213480823479 0.06250000000000 0.89555012209730 69.723 > 101 102 Ga 0.58213480823479 0.31250000000000 0.89555012209730 69.723 > 101 103 Ga 0.58213480823479 0.56250000000000 0.89555012209730 69.723 > 101 104 Ga 0.58213480823479 0.81250000000000 0.89555012209730 69.723 > 101 105 Ga 0.91786519176521 0.18750000000000 0.39555012209730 69.723 > 105 106 Ga 0.91786519176521 0.43750000000000 0.39555012209730 69.723 > 105 107 Ga 0.91786519176521 0.68750000000000 0.39555012209730 69.723 > 105 108 Ga 0.91786519176521 0.93750000000000 0.39555012209730 69.723 > 105 109 Ga 0.08213480823479 0.06250000000000 0.60444987790270 69.723 > 109 110 Ga 0.08213480823479 0.31250000000000 0.60444987790270 69.723 > 109 111 Ga 0.08213480823479 0.56250000000000 0.60444987790270 69.723 > 109 112 Ga 0.08213480823479 0.81250000000000 0.60444987790270 69.723 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2720732 0.0000000 0.0000000 0.0000000 4.4098176 0.0000000 0.0000000 0.0000000 4.2701450 -------------------------- Born effective charges -------------------------- 1 O -2.1263709 0.0000000 0.1314520 0.0000000 -2.3293502 0.0000000 0.0080079 0.0000000 -2.0892161 2 O -2.1263709 0.0000000 0.1314520 0.0000000 -2.3293502 0.0000000 0.0080079 0.0000000 -2.0892161 3 O -2.1263709 0.0000000 -0.1314520 0.0000000 -2.3293502 0.0000000 -0.0080079 0.0000000 -2.0892161 4 O -2.1263709 0.0000000 -0.1314520 0.0000000 -2.3293502 0.0000000 -0.0080079 0.0000000 -2.0892161 5 O -2.0018074 0.0000000 0.2572596 0.0000000 -2.1105096 0.0000000 0.2622894 0.0000000 -2.5118420 6 O -2.0018074 0.0000000 0.2572596 0.0000000 -2.1105096 0.0000000 0.2622894 0.0000000 -2.5118420 7 O -2.0018074 0.0000000 -0.2572596 0.0000000 -2.1105096 0.0000000 -0.2622894 0.0000000 -2.5118420 8 O -2.0018074 0.0000000 -0.2572596 0.0000000 -2.1105096 0.0000000 -0.2622894 0.0000000 -2.5118420 9 O -2.0451109 0.0000000 -0.0903368 0.0000000 -2.3713424 0.0000000 -0.0589244 0.0000000 -2.2592510 10 O -2.0451109 0.0000000 -0.0903368 0.0000000 -2.3713424 0.0000000 -0.0589244 0.0000000 -2.2592510 11 O -2.0451109 0.0000000 0.0903368 0.0000000 -2.3713424 0.0000000 0.0589244 0.0000000 -2.2592510 12 O -2.0451109 0.0000000 0.0903368 0.0000000 -2.3713424 0.0000000 0.0589244 0.0000000 -2.2592510 13 O -2.5539794 0.0000000 -0.1109254 0.0000000 -2.3613015 0.0000000 -0.0507811 0.0000000 -1.9158179 14 O -2.5539794 0.0000000 -0.1109254 0.0000000 -2.3613015 0.0000000 -0.0507811 0.0000000 -1.9158179 15 O -2.5539794 0.0000000 0.1109254 0.0000000 -2.3613015 0.0000000 0.0507811 0.0000000 -1.9158179 16 O -2.5539794 0.0000000 0.1109254 0.0000000 -2.3613015 0.0000000 0.0507811 0.0000000 -1.9158179 17 Ca 2.6002061 0.0000000 0.0183929 0.0000000 2.3409744 0.0000000 -0.0938817 0.0000000 2.4302410 18 Ca 2.6002061 0.0000000 0.0183929 0.0000000 2.3409744 0.0000000 -0.0938817 0.0000000 2.4302410 19 Ca 2.6002061 0.0000000 -0.0183929 0.0000000 2.3409744 0.0000000 0.0938817 0.0000000 2.4302410 20 Ca 2.6002061 0.0000000 -0.0183929 0.0000000 2.3409744 0.0000000 0.0938817 0.0000000 2.4302410 21 Ga 2.9983002 0.0000000 0.0703992 0.0000000 3.4089236 0.0000000 0.0374655 0.0000000 3.2719512 22 Ga 2.9983002 0.0000000 0.0703992 0.0000000 3.4089236 0.0000000 0.0374655 0.0000000 3.2719512 23 Ga 2.9983002 0.0000000 -0.0703992 0.0000000 3.4089236 0.0000000 -0.0374655 0.0000000 3.2719512 24 Ga 2.9983002 0.0000000 -0.0703992 0.0000000 3.4089236 0.0000000 -0.0374655 0.0000000 3.2719512 25 Ga 3.1287623 0.0000000 -0.2411782 0.0000000 3.4226058 0.0000000 -0.1756165 0.0000000 3.0739347 26 Ga 3.1287623 0.0000000 -0.2411782 0.0000000 3.4226058 0.0000000 -0.1756165 0.0000000 3.0739347 27 Ga 3.1287623 0.0000000 0.2411782 0.0000000 3.4226058 0.0000000 0.1756165 0.0000000 3.0739347 28 Ga 3.1287623 0.0000000 0.2411782 0.0000000 3.4226058 0.0000000 0.1756165 0.0000000 3.0739347 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 17 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/81) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.812 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.743 ( 0.000 0.000 0.000) 0.000 8.784 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.290 ( 0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 0.000) 0.000 9.343 ( 0.000 0.000 0.000) 0.000 9.604 ( 0.000 0.000 0.000) 0.000 9.936 ( 0.000 0.000 0.000) 0.000 10.004 ( 0.000 0.000 0.000) 0.000 10.008 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.794 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.411 ( 0.000 0.000 0.000) 0.000 11.738 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.472 ( 0.000 0.000 0.000) 0.000 12.576 ( 0.000 0.000 0.000) 0.000 12.926 ( 0.000 0.000 0.000) 0.000 12.942 ( 0.000 0.000 0.000) 0.000 13.107 ( 0.000 0.000 0.000) 0.000 13.266 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 13.892 ( 0.000 0.000 0.000) 0.000 13.928 ( 0.000 0.000 0.000) 0.000 14.025 ( 0.000 0.000 0.000) 0.000 14.298 ( 0.000 0.000 0.000) 0.000 14.411 ( 0.000 0.000 0.000) 0.000 16.051 ( 0.000 0.000 0.000) 0.000 16.323 ( 0.000 0.000 0.000) 0.000 16.554 ( 0.000 0.000 0.000) 0.000 17.042 ( 0.000 0.000 0.000) 0.000 17.519 ( 0.000 0.000 0.000) 0.000 17.769 ( 0.000 0.000 0.000) 0.000 18.307 ( 0.000 0.000 0.000) 0.000 18.522 ( 0.000 0.000 0.000) 0.000 18.560 ( 0.000 0.000 0.000) 0.000 18.903 ( 0.000 0.000 0.000) 0.000 18.939 ( 0.000 0.000 0.000) 0.000 19.373 ( 0.000 0.000 0.000) 0.000 19.667 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/81) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 37.469 0.000 0.000) 37.469 0.868 ( 39.399 0.000 0.000) 39.399 1.582 ( 71.030 0.000 0.000) 71.030 2.748 ( -10.011 0.000 0.000) 10.011 3.219 ( -23.820 0.000 0.000) 23.820 3.289 ( -7.034 0.000 0.000) 7.034 3.456 ( 12.202 0.000 0.000) 12.202 3.510 ( -4.232 0.000 0.000) 4.232 3.689 ( -1.263 0.000 0.000) 1.263 3.733 ( 3.988 0.000 0.000) 3.988 3.986 ( 2.133 0.000 0.000) 2.133 4.275 ( 2.684 0.000 0.000) 2.684 4.407 ( -0.079 0.000 0.000) 0.079 4.478 ( -3.257 0.000 0.000) 3.257 4.508 ( -14.047 0.000 0.000) 14.047 4.809 ( 4.041 0.000 0.000) 4.041 4.947 ( -0.729 0.000 0.000) 0.729 5.082 ( 3.435 0.000 0.000) 3.435 5.092 ( -2.158 0.000 0.000) 2.158 5.229 ( -0.490 0.000 0.000) 0.490 5.307 ( 8.440 0.000 0.000) 8.440 5.420 ( 2.771 0.000 0.000) 2.771 5.862 ( -32.714 0.000 0.000) 32.714 5.985 ( 5.770 0.000 0.000) 5.770 6.478 ( 16.036 0.000 0.000) 16.036 6.918 ( 15.330 0.000 0.000) 15.330 6.991 ( -16.995 0.000 0.000) 16.995 7.676 ( -7.843 0.000 0.000) 7.843 7.833 ( -10.252 0.000 0.000) 10.252 7.922 ( -4.862 0.000 0.000) 4.862 8.319 ( -17.650 0.000 0.000) 17.650 8.589 ( -7.202 0.000 0.000) 7.202 8.677 ( 6.844 0.000 0.000) 6.844 8.753 ( 7.644 0.000 0.000) 7.644 9.007 ( -6.349 0.000 0.000) 6.349 9.289 ( -1.740 0.000 0.000) 1.740 9.304 ( 2.678 0.000 0.000) 2.678 9.326 ( 2.911 0.000 0.000) 2.911 9.433 ( 3.737 0.000 0.000) 3.737 9.455 ( 6.461 0.000 0.000) 6.461 9.717 ( 7.231 0.000 0.000) 7.231 9.820 ( -2.844 0.000 0.000) 2.844 9.968 ( -1.968 0.000 0.000) 1.968 9.975 ( -2.627 0.000 0.000) 2.627 10.147 ( 5.129 0.000 0.000) 5.129 10.207 ( 11.204 0.000 0.000) 11.204 10.259 ( 0.190 0.000 0.000) 0.190 10.528 ( -3.898 0.000 0.000) 3.898 10.554 ( 16.178 0.000 0.000) 16.178 10.722 ( -5.942 0.000 0.000) 5.942 10.949 ( -4.720 0.000 0.000) 4.720 11.079 ( -2.228 0.000 0.000) 2.228 11.298 ( -7.545 0.000 0.000) 7.545 11.324 ( 1.834 0.000 0.000) 1.834 11.409 ( 4.555 0.000 0.000) 4.555 11.712 ( -2.371 0.000 0.000) 2.371 12.378 ( 9.175 0.000 0.000) 9.175 12.520 ( 4.174 0.000 0.000) 4.174 12.742 ( 13.466 0.000 0.000) 13.466 12.885 ( -4.382 0.000 0.000) 4.382 12.965 ( 4.387 0.000 0.000) 4.387 13.143 ( 2.500 0.000 0.000) 2.500 13.166 ( -11.372 0.000 0.000) 11.372 13.258 ( -0.693 0.000 0.000) 0.693 13.685 ( -12.397 0.000 0.000) 12.397 13.784 ( -11.115 0.000 0.000) 11.115 13.840 ( 1.850 0.000 0.000) 1.850 14.007 ( -1.603 0.000 0.000) 1.603 14.523 ( 18.031 0.000 0.000) 18.031 14.597 ( 13.835 0.000 0.000) 13.835 15.918 ( -10.762 0.000 0.000) 10.762 16.061 ( -17.016 0.000 0.000) 17.016 16.693 ( 6.746 0.000 0.000) 6.746 17.031 ( -3.291 0.000 0.000) 3.291 17.474 ( 1.828 0.000 0.000) 1.828 17.933 ( 10.378 0.000 0.000) 10.378 18.101 ( -10.900 0.000 0.000) 10.900 18.399 ( -1.139 0.000 0.000) 1.139 18.577 ( 3.821 0.000 0.000) 3.821 18.581 ( 1.806 0.000 0.000) 1.806 18.888 ( -1.017 0.000 0.000) 1.017 18.927 ( -1.044 0.000 0.000) 1.044 19.401 ( 2.359 0.000 0.000) 2.359 19.636 ( -2.658 0.000 0.000) 2.658 ======================= Grid point 2 (3/81) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 34.345 0.000 0.000) 34.345 1.726 ( 38.527 0.000 0.000) 38.527 2.318 ( -27.259 0.000 0.000) 27.259 2.544 ( -35.099 0.000 0.000) 35.099 3.097 ( 65.659 0.000 0.000) 65.659 3.268 ( 3.946 0.000 0.000) 3.946 3.391 ( -6.170 0.000 0.000) 6.170 3.709 ( 3.757 0.000 0.000) 3.757 3.725 ( 7.291 0.000 0.000) 7.291 3.846 ( 5.813 0.000 0.000) 5.813 3.963 ( -4.007 0.000 0.000) 4.007 4.268 ( -4.740 0.000 0.000) 4.740 4.328 ( -1.730 0.000 0.000) 1.730 4.408 ( 0.259 0.000 0.000) 0.259 4.415 ( -48.782 0.000 0.000) 48.782 4.424 ( -1.406 0.000 0.000) 1.406 4.915 ( 5.152 0.000 0.000) 5.152 5.021 ( -4.232 0.000 0.000) 4.232 5.159 ( 3.103 0.000 0.000) 3.103 5.209 ( -1.480 0.000 0.000) 1.480 5.257 ( -5.884 0.000 0.000) 5.884 5.278 ( -7.260 0.000 0.000) 7.260 5.772 ( 21.045 0.000 0.000) 21.045 6.200 ( -6.999 0.000 0.000) 6.999 6.719 ( 7.998 0.000 0.000) 7.998 6.882 ( 19.853 0.000 0.000) 19.853 7.077 ( -9.551 0.000 0.000) 9.551 7.334 ( -19.635 0.000 0.000) 19.635 7.804 ( 10.938 0.000 0.000) 10.938 7.850 ( -0.924 0.000 0.000) 0.924 7.956 ( -9.528 0.000 0.000) 9.528 8.251 ( -21.186 0.000 0.000) 21.186 8.762 ( 4.628 0.000 0.000) 4.628 8.875 ( -5.532 0.000 0.000) 5.532 9.051 ( 12.154 0.000 0.000) 12.154 9.228 ( -4.381 0.000 0.000) 4.381 9.369 ( 2.561 0.000 0.000) 2.561 9.385 ( 1.453 0.000 0.000) 1.453 9.520 ( 3.057 0.000 0.000) 3.057 9.542 ( 1.346 0.000 0.000) 1.346 9.824 ( 1.298 0.000 0.000) 1.298 9.825 ( 2.005 0.000 0.000) 2.005 9.923 ( -1.282 0.000 0.000) 1.282 9.929 ( -1.423 0.000 0.000) 1.423 10.255 ( 3.242 0.000 0.000) 3.242 10.268 ( 0.620 0.000 0.000) 0.620 10.465 ( 0.223 0.000 0.000) 0.223 10.511 ( 14.747 0.000 0.000) 14.747 10.567 ( -7.268 0.000 0.000) 7.268 10.752 ( -2.642 0.000 0.000) 2.642 10.916 ( 1.449 0.000 0.000) 1.449 10.975 ( -4.511 0.000 0.000) 4.511 11.229 ( 2.285 0.000 0.000) 2.285 11.310 ( -2.977 0.000 0.000) 2.977 11.525 ( 5.512 0.000 0.000) 5.512 11.636 ( -4.421 0.000 0.000) 4.421 12.594 ( 10.534 0.000 0.000) 10.534 12.637 ( 6.032 0.000 0.000) 6.032 12.770 ( -5.835 0.000 0.000) 5.835 12.860 ( -12.988 0.000 0.000) 12.988 13.097 ( 14.976 0.000 0.000) 14.976 13.157 ( 12.870 0.000 0.000) 12.870 13.196 ( 2.151 0.000 0.000) 2.151 13.235 ( -1.412 0.000 0.000) 1.412 13.412 ( -12.786 0.000 0.000) 12.786 13.487 ( -15.218 0.000 0.000) 15.218 13.894 ( 2.881 0.000 0.000) 2.881 13.958 ( -2.723 0.000 0.000) 2.723 14.897 ( 13.044 0.000 0.000) 13.044 14.909 ( 11.552 0.000 0.000) 11.552 15.660 ( -9.788 0.000 0.000) 9.788 15.695 ( -13.378 0.000 0.000) 13.378 16.806 ( 4.170 0.000 0.000) 4.170 16.910 ( -5.756 0.000 0.000) 5.756 17.624 ( 9.795 0.000 0.000) 9.795 17.857 ( -11.071 0.000 0.000) 11.071 18.149 ( 8.841 0.000 0.000) 8.841 18.313 ( -5.970 0.000 0.000) 5.970 18.626 ( 1.840 0.000 0.000) 1.840 18.640 ( 1.093 0.000 0.000) 1.093 18.877 ( 0.303 0.000 0.000) 0.303 18.898 ( -1.390 0.000 0.000) 1.390 19.470 ( 3.796 0.000 0.000) 3.796 19.559 ( -4.076 0.000 0.000) 4.076 ======================= Grid point 5 (4/81) ======================= q-point: ( 0.00 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 38.297 0.000) 38.297 0.804 ( 0.000 40.738 0.000) 40.738 1.546 ( 0.000 77.176 0.000) 77.176 3.085 ( 0.000 24.479 0.000) 24.479 3.347 ( 0.000 4.066 0.000) 4.066 3.563 ( 0.000 2.833 0.000) 2.833 3.581 ( 0.000 3.861 0.000) 3.861 3.643 ( 0.000 20.214 0.000) 20.214 3.850 ( 0.000 17.268 0.000) 17.268 3.930 ( 0.000 18.811 0.000) 18.811 4.112 ( 0.000 17.068 0.000) 17.068 4.339 ( 0.000 4.824 0.000) 4.824 4.505 ( 0.000 -0.080 0.000) 0.080 4.543 ( 0.000 13.102 0.000) 13.102 4.740 ( 0.000 -0.291 0.000) 0.291 4.989 ( 0.000 20.875 0.000) 20.875 5.043 ( 0.000 18.847 0.000) 18.847 5.230 ( 0.000 2.643 0.000) 2.643 5.240 ( 0.000 -0.030 0.000) 0.030 5.288 ( 0.000 22.985 0.000) 22.985 5.320 ( 0.000 18.488 0.000) 18.488 5.484 ( 0.000 24.076 0.000) 24.076 6.111 ( 0.000 -2.587 0.000) 2.587 6.223 ( 0.000 7.208 0.000) 7.208 6.363 ( 0.000 2.807 0.000) 2.807 6.727 ( 0.000 4.158 0.000) 4.158 7.189 ( 0.000 -0.848 0.000) 0.848 7.731 ( 0.000 -1.398 0.000) 1.398 7.821 ( 0.000 0.828 0.000) 0.828 7.931 ( 0.000 -4.095 0.000) 4.095 7.963 ( 0.000 -2.815 0.000) 2.815 8.416 ( 0.000 0.365 0.000) 0.365 8.614 ( 0.000 -4.311 0.000) 4.311 8.668 ( 0.000 -6.697 0.000) 6.697 8.736 ( 0.000 -4.466 0.000) 4.466 9.059 ( 0.000 -3.584 0.000) 3.584 9.122 ( 0.000 -10.140 0.000) 10.140 9.250 ( 0.000 -4.990 0.000) 4.990 9.468 ( 0.000 7.448 0.000) 7.448 9.532 ( 0.000 -6.823 0.000) 6.823 9.636 ( 0.000 21.346 0.000) 21.346 9.938 ( 0.000 3.779 0.000) 3.779 9.979 ( 0.000 -4.005 0.000) 4.005 10.038 ( 0.000 -3.930 0.000) 3.930 10.137 ( 0.000 12.458 0.000) 12.458 10.413 ( 0.000 14.986 0.000) 14.986 10.503 ( 0.000 15.583 0.000) 15.583 10.615 ( 0.000 4.078 0.000) 4.078 10.778 ( 0.000 -1.229 0.000) 1.229 10.831 ( 0.000 -6.899 0.000) 6.899 10.972 ( 0.000 -2.625 0.000) 2.625 11.180 ( 0.000 7.708 0.000) 7.708 11.347 ( 0.000 5.893 0.000) 5.893 11.418 ( 0.000 3.219 0.000) 3.219 11.507 ( 0.000 12.109 0.000) 12.109 11.800 ( 0.000 5.394 0.000) 5.394 12.341 ( 0.000 -0.895 0.000) 0.895 12.431 ( 0.000 -11.291 0.000) 11.291 12.624 ( 0.000 10.231 0.000) 10.231 12.765 ( 0.000 -8.900 0.000) 8.900 12.880 ( 0.000 -3.847 0.000) 3.847 13.157 ( 0.000 4.825 0.000) 4.825 13.266 ( 0.000 14.126 0.000) 14.126 13.343 ( 0.000 0.842 0.000) 0.842 13.786 ( 0.000 -0.960 0.000) 0.960 13.889 ( 0.000 0.396 0.000) 0.396 14.054 ( 0.000 11.232 0.000) 11.232 14.077 ( 0.000 4.978 0.000) 4.978 14.370 ( 0.000 7.442 0.000) 7.442 14.560 ( 0.000 12.945 0.000) 12.945 16.073 ( 0.000 2.139 0.000) 2.139 16.305 ( 0.000 -1.586 0.000) 1.586 16.522 ( 0.000 -3.222 0.000) 3.222 17.018 ( 0.000 -2.474 0.000) 2.474 17.525 ( 0.000 0.721 0.000) 0.721 17.713 ( 0.000 -5.413 0.000) 5.413 18.264 ( 0.000 -4.181 0.000) 4.181 18.455 ( 0.000 -6.571 0.000) 6.571 18.513 ( 0.000 -4.713 0.000) 4.713 18.799 ( 0.000 -1.560 0.000) 1.560 18.868 ( 0.000 -3.451 0.000) 3.451 18.895 ( 0.000 -4.343 0.000) 4.343 19.324 ( 0.000 -4.900 0.000) 4.900 19.605 ( 0.000 -6.084 0.000) 6.084 ======================= Grid point 6 (5/81) ======================= q-point: ( 0.20 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 28.283 26.951 0.000) 39.068 1.376 ( 33.617 30.627 0.000) 45.476 2.048 ( 45.839 49.973 0.000) 67.812 3.010 ( -9.130 24.698 0.000) 26.332 3.261 ( -21.134 4.948 0.000) 21.706 3.476 ( 5.481 9.514 0.000) 10.980 3.528 ( 0.192 15.410 0.000) 15.411 3.710 ( -5.604 9.233 0.000) 10.801 3.731 ( 0.686 13.127 0.000) 13.145 3.927 ( 1.958 17.161 0.000) 17.272 4.175 ( 2.031 18.040 0.000) 18.154 4.308 ( 0.931 4.680 0.000) 4.772 4.382 ( -8.608 -2.218 0.000) 8.890 4.552 ( 0.989 13.828 0.000) 13.863 4.701 ( -5.173 9.510 0.000) 10.826 4.979 ( -0.808 13.434 0.000) 13.459 5.103 ( 2.470 20.774 0.000) 20.920 5.285 ( 4.616 9.927 0.000) 10.948 5.292 ( -1.634 18.855 0.000) 18.926 5.338 ( 5.963 12.206 0.000) 13.585 5.416 ( 0.747 7.562 0.000) 7.599 5.491 ( 2.909 18.097 0.000) 18.329 5.904 ( -31.926 5.577 0.000) 32.410 5.990 ( 4.197 0.802 0.000) 4.273 6.491 ( 15.286 1.979 0.000) 15.414 6.943 ( 14.257 2.650 0.000) 14.501 6.974 ( -16.912 -1.368 0.000) 16.968 7.643 ( -9.401 -3.253 0.000) 9.948 7.816 ( -8.268 -1.464 0.000) 8.397 7.879 ( -3.199 -3.197 0.000) 4.523 8.287 ( -17.640 -2.954 0.000) 17.886 8.370 ( 15.987 -18.636 0.000) 24.554 8.613 ( 3.948 -5.963 0.000) 7.151 8.702 ( -1.931 -11.150 0.000) 11.316 8.716 ( 10.101 -3.005 0.000) 10.539 9.056 ( 0.439 -5.055 0.000) 5.074 9.237 ( 1.384 -5.570 0.000) 5.739 9.245 ( 7.109 -8.118 0.000) 10.791 9.577 ( 6.070 12.203 0.000) 13.629 9.601 ( 0.432 6.261 0.000) 6.276 9.675 ( 6.857 3.611 0.000) 7.750 9.755 ( -6.080 -1.100 0.000) 6.179 10.094 ( 7.566 -3.157 0.000) 8.198 10.123 ( 0.459 13.893 0.000) 13.900 10.178 ( 4.673 5.240 0.000) 7.021 10.431 ( -1.390 2.181 0.000) 2.586 10.532 ( 3.012 16.137 0.000) 16.416 10.640 ( -9.577 16.066 0.000) 18.704 10.741 ( 11.142 9.891 0.000) 14.899 10.750 ( -2.361 2.251 0.000) 3.263 10.914 ( -3.416 -0.393 0.000) 3.438 11.174 ( -2.063 7.945 0.000) 8.208 11.264 ( -11.166 0.395 0.000) 11.173 11.366 ( -0.415 3.403 0.000) 3.429 11.517 ( 2.324 8.979 0.000) 9.275 11.784 ( -1.913 5.825 0.000) 6.131 12.320 ( 4.875 1.320 0.000) 5.051 12.548 ( -3.730 -1.225 0.000) 3.926 12.556 ( 7.820 -12.293 0.000) 14.570 12.841 ( -1.235 -3.884 0.000) 4.075 12.907 ( 10.201 -1.544 0.000) 10.318 13.127 ( -5.407 1.244 0.000) 5.548 13.328 ( 1.061 8.420 0.000) 8.487 13.329 ( 0.270 5.510 0.000) 5.517 13.730 ( -5.770 -1.285 0.000) 5.911 13.730 ( -8.880 6.158 0.000) 10.807 13.959 ( -4.771 9.315 0.000) 10.466 14.070 ( -1.908 5.900 0.000) 6.201 14.587 ( 16.011 5.045 0.000) 16.787 14.733 ( 12.541 11.979 0.000) 17.343 15.957 ( -9.585 3.885 0.000) 10.343 16.075 ( -15.123 1.399 0.000) 15.187 16.653 ( 6.603 -4.266 0.000) 7.861 16.984 ( -4.087 -4.633 0.000) 6.178 17.498 ( 2.357 2.272 0.000) 3.274 17.872 ( 10.022 -5.959 0.000) 11.660 18.121 ( -10.711 -1.534 0.000) 10.821 18.455 ( -7.243 -3.394 0.000) 7.998 18.536 ( 1.901 -4.589 0.000) 4.967 18.574 ( -1.609 3.492 0.000) 3.845 18.855 ( -1.106 -3.147 0.000) 3.336 18.884 ( -0.989 -4.278 0.000) 4.391 19.351 ( 2.271 -4.993 0.000) 5.485 19.576 ( -2.528 -5.933 0.000) 6.449 ======================= Grid point 7 (6/81) ======================= q-point: ( 0.40 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 34.354 15.152 0.000) 37.547 2.042 ( 28.618 33.455 0.000) 44.025 2.629 ( -23.798 28.147 0.000) 36.860 2.633 ( -32.773 9.006 0.000) 33.988 3.268 ( 57.745 19.031 0.000) 60.800 3.490 ( 3.952 20.786 0.000) 21.158 3.615 ( -6.087 21.316 0.000) 22.168 3.730 ( 4.456 3.053 0.000) 5.402 3.771 ( 7.441 4.862 0.000) 8.889 4.050 ( 6.085 18.328 0.000) 19.312 4.085 ( -7.200 8.384 0.000) 11.052 4.269 ( -1.691 6.737 0.000) 6.946 4.308 ( -2.804 0.087 0.000) 2.805 4.450 ( -32.486 6.333 0.000) 33.098 4.590 ( 2.235 15.519 0.000) 15.679 4.692 ( -13.482 20.775 0.000) 24.766 5.166 ( 3.417 23.847 0.000) 24.091 5.240 ( -3.135 20.101 0.000) 20.344 5.268 ( -5.235 1.992 0.000) 5.601 5.296 ( -6.456 5.889 0.000) 8.739 5.384 ( 2.626 22.004 0.000) 22.160 5.453 ( -3.314 21.854 0.000) 22.104 5.771 ( 20.228 0.377 0.000) 20.231 6.190 ( -6.750 -0.808 0.000) 6.798 6.692 ( 8.314 -2.613 0.000) 8.715 6.886 ( 18.370 0.874 0.000) 18.390 7.069 ( -11.160 -0.713 0.000) 11.183 7.300 ( -17.935 -3.114 0.000) 18.203 7.807 ( 10.560 0.446 0.000) 10.570 7.829 ( -0.399 -1.420 0.000) 1.475 7.932 ( -9.449 -1.899 0.000) 9.638 8.216 ( -19.010 -3.279 0.000) 19.290 8.691 ( 3.762 -6.741 0.000) 7.719 8.742 ( 0.132 -12.055 0.000) 12.056 8.984 ( 9.664 -5.666 0.000) 11.202 9.084 ( 0.248 -8.967 0.000) 8.971 9.302 ( 3.127 -6.445 0.000) 7.163 9.335 ( 0.825 -6.846 0.000) 6.896 9.602 ( 0.266 6.901 0.000) 6.906 9.612 ( -0.719 10.807 0.000) 10.831 9.771 ( 3.763 -0.621 0.000) 3.813 9.798 ( 2.380 0.649 0.000) 2.467 10.114 ( 2.019 15.281 0.000) 15.414 10.199 ( -3.415 16.989 0.000) 17.329 10.288 ( 5.816 -2.379 0.000) 6.283 10.360 ( -2.667 -6.082 0.000) 6.641 10.556 ( 1.335 19.870 0.000) 19.914 10.616 ( -0.304 16.341 0.000) 16.344 10.724 ( 5.672 9.334 0.000) 10.922 10.898 ( 2.280 -0.139 0.000) 2.285 10.929 ( -0.233 13.866 0.000) 13.868 10.984 ( -10.821 2.211 0.000) 11.044 11.180 ( 4.099 -2.660 0.000) 4.886 11.303 ( -4.839 0.632 0.000) 4.880 11.609 ( 5.043 6.251 0.000) 8.032 11.714 ( -4.207 5.767 0.000) 7.138 12.468 ( 3.737 -12.787 0.000) 13.322 12.567 ( -5.041 -13.075 0.000) 14.013 12.587 ( 10.860 2.148 0.000) 11.071 12.864 ( -9.697 -0.910 0.000) 9.739 13.013 ( 7.008 -3.515 0.000) 7.840 13.132 ( 5.564 -0.686 0.000) 5.606 13.276 ( -0.320 -0.204 0.000) 0.380 13.390 ( 1.079 8.935 0.000) 9.000 13.543 ( -7.747 7.932 0.000) 11.088 13.573 ( -5.633 15.420 0.000) 16.417 13.933 ( 1.880 4.141 0.000) 4.548 14.003 ( -3.725 4.228 0.000) 5.635 14.940 ( 13.134 3.788 0.000) 13.669 14.996 ( 8.433 7.648 0.000) 11.385 15.725 ( -8.589 6.641 0.000) 10.857 15.756 ( -11.382 6.148 0.000) 12.936 16.766 ( 4.170 -4.341 0.000) 6.020 16.866 ( -5.331 -4.631 0.000) 7.061 17.642 ( 9.370 1.723 0.000) 9.527 17.872 ( -11.216 0.802 0.000) 11.244 18.086 ( 9.121 -6.186 0.000) 11.021 18.272 ( -8.032 -4.376 0.000) 9.147 18.583 ( 1.997 -4.264 0.000) 4.708 18.603 ( 0.582 -3.379 0.000) 3.429 18.840 ( 0.098 -3.531 0.000) 3.532 18.858 ( -1.222 -4.011 0.000) 4.193 19.417 ( 3.647 -5.236 0.000) 6.381 19.503 ( -3.898 -5.587 0.000) 6.812 ======================= Grid point 10 (7/81) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 37.593 0.000) 37.593 1.596 ( 0.000 39.729 0.000) 39.729 2.985 ( 0.000 66.319 0.000) 66.319 3.477 ( 0.000 9.239 0.000) 9.239 3.668 ( 0.000 10.127 0.000) 10.127 3.686 ( 0.000 33.783 0.000) 33.783 3.703 ( 0.000 7.979 0.000) 7.979 4.132 ( 0.000 26.928 0.000) 26.928 4.174 ( 0.000 12.348 0.000) 12.348 4.417 ( 0.000 6.905 0.000) 6.905 4.418 ( 0.000 29.138 0.000) 29.138 4.550 ( 0.000 17.419 0.000) 17.419 4.670 ( 0.000 21.982 0.000) 21.982 4.736 ( 0.000 0.018 0.000) 0.018 4.890 ( 0.000 21.687 0.000) 21.687 5.184 ( 0.000 2.125 0.000) 2.125 5.237 ( 0.000 -0.037 0.000) 0.037 5.538 ( 0.000 30.352 0.000) 30.352 5.668 ( 0.000 37.243 0.000) 37.243 5.775 ( 0.000 21.008 0.000) 21.008 5.826 ( 0.000 31.384 0.000) 31.384 6.044 ( 0.000 -3.704 0.000) 3.704 6.067 ( 0.000 30.574 0.000) 30.574 6.520 ( 0.000 26.484 0.000) 26.484 6.547 ( 0.000 20.024 0.000) 20.024 6.857 ( 0.000 9.314 0.000) 9.314 7.175 ( 0.000 -0.138 0.000) 0.138 7.704 ( 0.000 -1.061 0.000) 1.061 7.816 ( 0.000 -7.331 0.000) 7.331 7.836 ( 0.000 0.389 0.000) 0.389 7.920 ( 0.000 -0.897 0.000) 0.897 8.434 ( 0.000 1.388 0.000) 1.388 8.516 ( 0.000 -4.679 0.000) 4.679 8.527 ( 0.000 -6.608 0.000) 6.608 8.630 ( 0.000 -5.707 0.000) 5.707 8.893 ( 0.000 -13.071 0.000) 13.071 8.969 ( 0.000 -5.672 0.000) 5.672 9.108 ( 0.000 -9.304 0.000) 9.304 9.356 ( 0.000 -10.837 0.000) 10.837 9.454 ( 0.000 -7.932 0.000) 7.932 9.937 ( 0.000 -5.719 0.000) 5.719 9.945 ( 0.000 0.150 0.000) 0.150 10.064 ( 0.000 17.779 0.000) 17.779 10.191 ( 0.000 17.372 0.000) 17.372 10.479 ( 0.000 22.238 0.000) 22.238 10.599 ( 0.000 -5.366 0.000) 5.366 10.610 ( 0.000 -5.354 0.000) 5.354 10.664 ( 0.000 3.184 0.000) 3.184 10.768 ( 0.000 1.096 0.000) 1.096 10.849 ( 0.000 17.974 0.000) 17.974 11.158 ( 0.000 19.971 0.000) 19.971 11.253 ( 0.000 -0.259 0.000) 0.259 11.402 ( 0.000 -1.540 0.000) 1.540 11.700 ( 0.000 23.542 0.000) 23.542 11.730 ( 0.000 8.899 0.000) 8.899 11.902 ( 0.000 3.936 0.000) 3.936 12.282 ( 0.000 -1.604 0.000) 1.604 12.407 ( 0.000 8.187 0.000) 8.187 12.625 ( 0.000 -4.303 0.000) 4.303 12.816 ( 0.000 8.408 0.000) 8.408 12.862 ( 0.000 2.760 0.000) 2.760 13.304 ( 0.000 10.448 0.000) 10.448 13.306 ( 0.000 -3.326 0.000) 3.326 13.469 ( 0.000 3.782 0.000) 3.782 13.777 ( 0.000 -0.950 0.000) 0.950 13.980 ( 0.000 11.062 0.000) 11.062 14.206 ( 0.000 8.008 0.000) 8.008 14.360 ( 0.000 19.412 0.000) 19.412 14.586 ( 0.000 13.987 0.000) 13.987 14.829 ( 0.000 12.978 0.000) 12.978 16.121 ( 0.000 1.910 0.000) 1.910 16.276 ( 0.000 -0.839 0.000) 0.839 16.430 ( 0.000 -6.109 0.000) 6.109 16.946 ( 0.000 -4.680 0.000) 4.680 17.549 ( 0.000 1.742 0.000) 1.742 17.582 ( 0.000 -7.031 0.000) 7.031 18.150 ( 0.000 -7.217 0.000) 7.217 18.278 ( 0.000 -10.965 0.000) 10.965 18.381 ( 0.000 -8.543 0.000) 8.543 18.748 ( 0.000 -3.659 0.000) 3.659 18.771 ( 0.000 -6.237 0.000) 6.237 18.777 ( 0.000 -7.414 0.000) 7.414 19.186 ( 0.000 -9.016 0.000) 9.016 19.438 ( 0.000 -10.556 0.000) 10.556 ======================= Grid point 11 (8/81) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 17.007 34.290 0.000) 38.276 1.920 ( 31.750 27.632 0.000) 42.090 3.205 ( 16.196 52.532 0.000) 54.973 3.452 ( -11.425 21.521 0.000) 24.366 3.572 ( 0.065 21.726 0.000) 21.727 3.661 ( 2.856 20.459 0.000) 20.657 3.818 ( -1.524 7.430 0.000) 7.584 3.984 ( -6.510 23.599 0.000) 24.480 4.082 ( 3.918 11.365 0.000) 12.021 4.338 ( -5.876 26.513 0.000) 27.156 4.410 ( -6.403 5.608 0.000) 8.512 4.538 ( -1.617 18.385 0.000) 18.456 4.624 ( 0.507 25.547 0.000) 25.552 4.804 ( 1.237 3.528 0.000) 3.738 4.911 ( 1.687 21.927 0.000) 21.992 5.279 ( 8.674 2.135 0.000) 8.933 5.434 ( -5.804 30.062 0.000) 30.617 5.472 ( 9.850 3.106 0.000) 10.328 5.663 ( -9.449 15.658 0.000) 18.288 5.782 ( 6.225 34.910 0.000) 35.460 5.823 ( -0.758 32.132 0.000) 32.140 5.933 ( 2.029 7.864 0.000) 8.122 6.139 ( 1.110 25.276 0.000) 25.301 6.229 ( -20.687 30.616 0.000) 36.950 6.629 ( 8.399 15.967 0.000) 18.042 6.955 ( -15.966 0.222 0.000) 15.967 7.032 ( 11.240 6.752 0.000) 13.113 7.555 ( -12.488 -5.332 0.000) 13.578 7.789 ( -3.426 -0.888 0.000) 3.539 7.846 ( -1.245 0.403 0.000) 1.308 8.127 ( 13.838 -7.241 0.000) 15.618 8.219 ( -16.137 -3.575 0.000) 16.529 8.482 ( 0.705 -6.329 0.000) 6.368 8.561 ( -6.624 -5.583 0.000) 8.663 8.653 ( 10.184 -3.141 0.000) 10.657 8.950 ( -1.507 -6.367 0.000) 6.543 9.054 ( 9.456 -10.496 0.000) 14.128 9.095 ( 1.965 -8.594 0.000) 8.816 9.472 ( 7.212 -10.470 0.000) 12.713 9.566 ( 6.128 -8.352 0.000) 10.359 9.890 ( -1.746 3.531 0.000) 3.939 9.934 ( -0.126 8.668 0.000) 8.669 10.079 ( 1.490 3.479 0.000) 3.784 10.248 ( 2.733 6.883 0.000) 7.405 10.500 ( 1.872 20.223 0.000) 20.309 10.591 ( -3.165 11.166 0.000) 11.606 10.651 ( 4.591 -1.159 0.000) 4.735 10.669 ( 3.734 -6.842 0.000) 7.794 10.810 ( 3.277 4.856 0.000) 5.859 10.991 ( 10.307 15.910 0.000) 18.957 11.135 ( -1.853 20.539 0.000) 20.622 11.186 ( -6.448 -0.873 0.000) 6.507 11.389 ( -1.270 -1.573 0.000) 2.021 11.575 ( -8.866 23.950 0.000) 25.539 11.686 ( -1.727 6.692 0.000) 6.911 11.882 ( -2.547 3.486 0.000) 4.317 12.342 ( -7.911 -3.386 0.000) 8.606 12.405 ( 6.741 -1.962 0.000) 7.020 12.608 ( 5.575 12.364 0.000) 13.562 12.802 ( -2.838 1.137 0.000) 3.057 12.978 ( 10.160 6.687 0.000) 12.163 13.199 ( -6.118 6.398 0.000) 8.853 13.368 ( -7.713 -1.054 0.000) 7.784 13.421 ( 5.785 2.590 0.000) 6.339 13.747 ( -2.232 1.549 0.000) 2.717 13.952 ( -1.802 14.703 0.000) 14.813 14.210 ( -2.234 7.901 0.000) 8.211 14.211 ( -9.171 16.052 0.000) 18.487 14.726 ( 12.396 9.698 0.000) 15.739 14.989 ( 10.418 12.915 0.000) 16.593 16.058 ( -5.631 5.604 0.000) 7.944 16.124 ( -9.748 3.870 0.000) 10.488 16.528 ( 5.342 -8.212 0.000) 9.796 16.862 ( -6.244 -7.258 0.000) 9.574 17.555 ( 3.188 3.198 0.000) 4.516 17.721 ( 8.787 -8.669 0.000) 12.344 18.044 ( -7.538 -5.707 0.000) 9.454 18.286 ( -2.375 -11.371 0.000) 11.616 18.407 ( 2.272 -8.226 0.000) 8.534 18.610 ( -6.973 -1.354 0.000) 7.103 18.768 ( -0.741 -7.210 0.000) 7.248 18.774 ( -1.287 -4.944 0.000) 5.109 19.210 ( 2.103 -9.095 0.000) 9.335 19.413 ( -2.191 -10.312 0.000) 10.542 ======================= Grid point 12 (9/81) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 26.140 24.581 0.000) 35.882 2.643 ( 30.800 25.079 0.000) 39.719 2.889 ( -27.065 16.600 0.000) 31.750 3.242 ( -22.795 29.867 0.000) 37.572 3.826 ( 6.379 8.661 0.000) 10.757 3.887 ( 4.947 11.097 0.000) 12.150 3.893 ( 29.853 40.226 0.000) 50.094 3.983 ( 7.312 19.301 0.000) 20.640 4.153 ( -2.595 30.869 0.000) 30.978 4.234 ( -4.752 12.141 0.000) 13.038 4.329 ( 2.301 4.020 0.000) 4.632 4.470 ( 1.319 20.482 0.000) 20.525 4.543 ( -11.809 16.511 0.000) 20.299 4.717 ( -11.896 21.183 0.000) 24.294 4.956 ( 2.640 20.463 0.000) 20.632 5.123 ( -17.189 17.997 0.000) 24.886 5.403 ( -0.776 16.922 0.000) 16.940 5.455 ( -4.923 12.957 0.000) 13.861 5.675 ( 12.845 13.388 0.000) 18.554 5.787 ( -1.491 30.925 0.000) 30.961 5.906 ( 6.467 26.686 0.000) 27.458 5.983 ( 0.348 36.431 0.000) 36.433 6.046 ( -1.940 34.108 0.000) 34.163 6.192 ( -5.998 3.781 0.000) 7.090 6.628 ( 7.505 -3.037 0.000) 8.096 6.958 ( 14.067 8.481 0.000) 16.426 7.048 ( -17.537 -1.738 0.000) 17.623 7.252 ( -10.699 0.271 0.000) 10.702 7.824 ( 0.125 1.471 0.000) 1.476 7.825 ( 10.200 1.403 0.000) 10.296 7.907 ( -9.095 0.129 0.000) 9.096 8.141 ( -13.459 -3.772 0.000) 13.978 8.517 ( 3.408 -9.343 0.000) 9.946 8.534 ( 2.103 -8.309 0.000) 8.571 8.859 ( 6.596 -6.695 0.000) 9.398 8.929 ( -0.807 -7.628 0.000) 7.671 9.168 ( 3.014 -7.264 0.000) 7.864 9.185 ( 2.107 -7.800 0.000) 8.079 9.584 ( 2.968 -7.453 0.000) 8.023 9.623 ( -0.485 -6.699 0.000) 6.716 9.919 ( 3.269 7.081 0.000) 7.800 9.957 ( 0.717 10.858 0.000) 10.882 10.132 ( 3.893 -6.573 0.000) 7.640 10.238 ( -3.930 -3.554 0.000) 5.298 10.545 ( 1.314 19.063 0.000) 19.109 10.552 ( -0.216 18.072 0.000) 18.073 10.769 ( 4.567 -1.499 0.000) 4.806 10.779 ( 5.715 -1.790 0.000) 5.989 10.878 ( 2.024 9.020 0.000) 9.244 11.004 ( -8.685 3.228 0.000) 9.265 11.133 ( 4.368 21.717 0.000) 22.152 11.213 ( 7.939 10.850 0.000) 13.444 11.341 ( -3.235 2.845 0.000) 4.308 11.346 ( -11.280 21.689 0.000) 24.447 11.706 ( 3.239 3.287 0.000) 4.614 11.798 ( -4.533 2.737 0.000) 5.295 12.245 ( 1.191 -8.211 0.000) 8.297 12.373 ( -7.843 -4.850 0.000) 9.221 12.785 ( 9.582 17.833 0.000) 20.244 12.898 ( 9.182 1.318 0.000) 9.276 13.023 ( -8.671 9.290 0.000) 12.708 13.134 ( -6.265 0.082 0.000) 6.265 13.262 ( 7.937 0.449 0.000) 7.950 13.459 ( -5.311 1.421 0.000) 5.498 13.758 ( 5.379 9.079 0.000) 10.553 13.892 ( -4.475 14.635 0.000) 15.304 14.075 ( -2.304 10.612 0.000) 10.859 14.111 ( -4.900 6.960 0.000) 8.512 15.035 ( 12.747 6.062 0.000) 14.114 15.160 ( 2.624 8.475 0.000) 8.872 15.913 ( -5.197 11.868 0.000) 12.956 15.929 ( -6.441 11.125 0.000) 12.855 16.631 ( 4.181 -9.288 0.000) 10.185 16.729 ( -5.197 -8.968 0.000) 10.365 17.677 ( 7.430 1.236 0.000) 7.532 17.860 ( -8.761 -2.402 0.000) 9.085 17.927 ( 9.680 -9.198 0.000) 13.353 18.139 ( -9.307 -8.928 0.000) 12.897 18.468 ( 2.901 -7.152 0.000) 7.718 18.524 ( -2.230 -4.516 0.000) 5.036 18.747 ( -0.588 -5.672 0.000) 5.702 18.751 ( -0.672 -6.597 0.000) 6.632 19.272 ( 3.330 -9.344 0.000) 9.920 19.349 ( -3.472 -9.791 0.000) 10.389 ======================= Grid point 15 (10/81) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.000 35.391 0.000) 35.391 2.357 ( 0.000 37.489 0.000) 37.489 3.669 ( 0.000 10.340 0.000) 10.340 3.702 ( 0.000 13.262 0.000) 13.262 3.876 ( 0.000 9.286 0.000) 9.286 4.298 ( 0.000 25.257 0.000) 25.257 4.360 ( 0.000 8.188 0.000) 8.188 4.406 ( 0.000 56.470 0.000) 56.470 4.505 ( 0.000 4.468 0.000) 4.468 4.589 ( 0.000 16.010 0.000) 16.010 4.769 ( 0.000 5.421 0.000) 5.421 4.903 ( 0.000 16.034 0.000) 16.034 5.001 ( 0.000 27.887 0.000) 27.887 5.148 ( 0.000 21.204 0.000) 21.204 5.250 ( 0.000 2.467 0.000) 2.467 5.284 ( 0.000 10.374 0.000) 10.374 5.389 ( 0.000 28.319 0.000) 28.319 5.947 ( 0.000 -4.582 0.000) 4.582 6.066 ( 0.000 13.289 0.000) 13.289 6.185 ( 0.000 34.211 0.000) 34.211 6.423 ( 0.000 35.579 0.000) 35.579 6.525 ( 0.000 36.570 0.000) 36.570 6.608 ( 0.000 26.542 0.000) 26.542 7.093 ( 0.000 14.397 0.000) 14.397 7.147 ( 0.000 33.838 0.000) 33.838 7.208 ( 0.000 4.654 0.000) 4.654 7.273 ( 0.000 45.391 0.000) 45.391 7.676 ( 0.000 -4.105 0.000) 4.105 7.707 ( 0.000 2.609 0.000) 2.609 7.819 ( 0.000 -2.287 0.000) 2.287 7.947 ( 0.000 3.999 0.000) 3.999 8.408 ( 0.000 -3.142 0.000) 3.142 8.442 ( 0.000 -1.127 0.000) 1.127 8.514 ( 0.000 0.793 0.000) 0.793 8.535 ( 0.000 -3.582 0.000) 3.582 8.644 ( 0.000 -7.660 0.000) 7.660 8.830 ( 0.000 -8.612 0.000) 8.612 8.903 ( 0.000 -10.670 0.000) 10.670 9.114 ( 0.000 -13.413 0.000) 13.413 9.247 ( 0.000 -11.583 0.000) 11.583 9.833 ( 0.000 -4.446 0.000) 4.446 9.971 ( 0.000 2.076 0.000) 2.076 10.209 ( 0.000 -2.896 0.000) 2.896 10.330 ( 0.000 -3.128 0.000) 3.128 10.458 ( 0.000 -6.985 0.000) 6.985 10.479 ( 0.000 -5.659 0.000) 5.659 10.850 ( 0.000 9.072 0.000) 9.072 10.920 ( 0.000 21.053 0.000) 21.053 10.924 ( 0.000 15.829 0.000) 15.829 11.212 ( 0.000 15.759 0.000) 15.759 11.219 ( 0.000 -3.329 0.000) 3.329 11.384 ( 0.000 4.327 0.000) 4.327 11.555 ( 0.000 17.721 0.000) 17.721 11.833 ( 0.000 2.166 0.000) 2.166 11.936 ( 0.000 -0.209 0.000) 0.209 12.126 ( 0.000 14.569 0.000) 14.569 12.348 ( 0.000 7.069 0.000) 7.069 12.665 ( 0.000 17.081 0.000) 17.081 12.702 ( 0.000 16.055 0.000) 16.055 12.931 ( 0.000 3.379 0.000) 3.379 12.956 ( 0.000 4.591 0.000) 4.591 13.282 ( 0.000 2.536 0.000) 2.536 13.430 ( 0.000 -5.655 0.000) 5.655 13.558 ( 0.000 14.473 0.000) 14.473 13.738 ( 0.000 -2.644 0.000) 2.644 14.289 ( 0.000 17.916 0.000) 17.916 14.387 ( 0.000 10.068 0.000) 10.068 14.786 ( 0.000 23.155 0.000) 23.155 14.893 ( 0.000 16.599 0.000) 16.599 15.047 ( 0.000 9.256 0.000) 9.256 16.106 ( 0.000 -4.308 0.000) 4.308 16.287 ( 0.000 -8.348 0.000) 8.348 16.293 ( 0.000 2.898 0.000) 2.898 16.846 ( 0.000 -5.057 0.000) 5.057 17.478 ( 0.000 -2.711 0.000) 2.711 17.586 ( 0.000 1.715 0.000) 1.715 17.992 ( 0.000 -8.626 0.000) 8.626 18.044 ( 0.000 -12.370 0.000) 12.370 18.186 ( 0.000 -11.034 0.000) 11.034 18.616 ( 0.000 -8.630 0.000) 8.630 18.627 ( 0.000 -8.346 0.000) 8.346 18.651 ( 0.000 -6.264 0.000) 6.264 18.979 ( 0.000 -11.848 0.000) 11.848 19.206 ( 0.000 -12.774 0.000) 12.774 ======================= Grid point 16 (11/81) ======================= q-point: ( 0.20 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 10.727 34.640 0.000) 36.263 2.478 ( 21.651 28.681 0.000) 35.936 3.611 ( -7.918 13.052 0.000) 15.266 3.829 ( 11.011 12.489 0.000) 16.650 3.951 ( 1.782 9.119 0.000) 9.291 4.187 ( -15.499 21.040 0.000) 26.132 4.205 ( -0.749 7.537 0.000) 7.574 4.320 ( -5.784 11.636 0.000) 12.994 4.530 ( 9.739 54.197 0.000) 55.065 4.611 ( -0.897 12.778 0.000) 12.810 4.861 ( -3.605 17.419 0.000) 17.788 4.902 ( 7.290 6.487 0.000) 9.758 4.928 ( -5.745 25.947 0.000) 26.575 5.076 ( -2.778 17.519 0.000) 17.738 5.397 ( 0.219 26.668 0.000) 26.668 5.403 ( 8.427 13.153 0.000) 15.622 5.523 ( 16.647 2.384 0.000) 16.817 5.920 ( -11.340 16.278 0.000) 19.838 5.958 ( 3.170 -1.060 0.000) 3.343 6.067 ( -7.733 31.799 0.000) 32.725 6.520 ( 0.086 35.659 0.000) 35.659 6.529 ( 6.035 35.603 0.000) 36.110 6.631 ( 0.727 22.902 0.000) 22.913 6.932 ( -13.963 31.962 0.000) 34.879 6.969 ( -15.998 8.491 0.000) 18.111 7.228 ( 7.561 14.584 0.000) 16.428 7.293 ( 1.603 42.040 0.000) 42.070 7.491 ( -11.295 3.396 0.000) 11.794 7.798 ( 1.508 2.773 0.000) 3.156 7.904 ( 1.552 5.675 0.000) 5.884 8.028 ( 8.477 -3.310 0.000) 9.101 8.162 ( -11.663 -1.724 0.000) 11.790 8.391 ( -3.292 -2.822 0.000) 4.336 8.467 ( -6.485 -4.161 0.000) 7.706 8.603 ( 6.667 -1.759 0.000) 6.895 8.799 ( -2.275 -8.836 0.000) 9.124 8.867 ( 11.894 -6.861 0.000) 13.731 8.920 ( 3.969 -8.488 0.000) 9.371 9.229 ( 7.615 -13.943 0.000) 15.887 9.355 ( 6.346 -12.423 0.000) 13.950 9.839 ( 0.632 -4.928 0.000) 4.968 9.988 ( 1.413 0.003 0.000) 1.413 10.142 ( -4.446 -0.126 0.000) 4.448 10.316 ( -1.412 -1.891 0.000) 2.360 10.505 ( 5.300 -6.978 0.000) 8.762 10.515 ( 3.375 -7.230 0.000) 7.979 10.885 ( -3.583 8.947 0.000) 9.638 10.915 ( -0.117 19.928 0.000) 19.929 10.964 ( 7.776 10.567 0.000) 13.120 11.148 ( -4.103 -1.040 0.000) 4.233 11.339 ( 7.921 14.599 0.000) 16.610 11.407 ( 1.848 6.611 0.000) 6.865 11.549 ( -1.320 19.645 0.000) 19.689 11.757 ( -3.354 1.435 0.000) 3.648 11.911 ( -2.985 1.746 0.000) 3.458 11.982 ( -10.590 9.037 0.000) 13.922 12.392 ( -11.542 15.870 0.000) 19.623 12.446 ( 5.903 5.028 0.000) 7.754 12.894 ( -5.086 7.594 0.000) 9.140 12.946 ( 11.269 19.698 0.000) 22.694 13.078 ( 9.767 2.357 0.000) 10.048 13.340 ( 5.055 5.691 0.000) 7.611 13.343 ( -6.477 -0.468 0.000) 6.494 13.519 ( -2.728 8.407 0.000) 8.838 13.772 ( 2.669 2.000 0.000) 3.335 14.230 ( -4.093 12.455 0.000) 13.110 14.396 ( -2.448 11.681 0.000) 11.935 14.539 ( -14.099 15.928 0.000) 21.271 14.963 ( 7.494 13.729 0.000) 15.641 15.236 ( 9.155 12.837 0.000) 15.767 16.126 ( 1.279 -0.242 0.000) 1.301 16.233 ( -2.906 6.992 0.000) 7.572 16.342 ( 2.755 -10.137 0.000) 10.504 16.730 ( -8.736 -5.188 0.000) 10.160 17.566 ( 5.313 -6.150 0.000) 8.128 17.611 ( 3.796 2.115 0.000) 4.345 17.911 ( -5.486 -7.642 0.000) 9.407 18.046 ( -1.871 -12.380 0.000) 12.520 18.222 ( 3.108 -10.413 0.000) 10.867 18.529 ( -5.433 -6.380 0.000) 8.380 18.612 ( -0.298 -8.352 0.000) 8.358 18.662 ( -1.185 -6.489 0.000) 6.596 19.003 ( 2.055 -11.790 0.000) 11.968 19.186 ( -1.777 -12.517 0.000) 12.642 ======================= Grid point 17 (12/81) ======================= q-point: ( 0.40 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 18.568 27.899 0.000) 33.513 3.065 ( 28.917 19.310 0.000) 34.772 3.259 ( -20.166 20.387 0.000) 28.676 3.703 ( -26.588 16.858 0.000) 31.482 4.001 ( 5.611 10.103 0.000) 11.557 4.112 ( 6.894 13.016 0.000) 14.729 4.207 ( 0.628 6.946 0.000) 6.974 4.350 ( 3.432 3.891 0.000) 5.189 4.618 ( 1.791 19.293 0.000) 19.376 4.661 ( -3.199 22.283 0.000) 22.511 4.778 ( -2.604 23.275 0.000) 23.420 4.846 ( -7.485 13.222 0.000) 15.193 4.954 ( 15.374 41.290 0.000) 44.059 5.176 ( 4.258 21.520 0.000) 21.938 5.378 ( -1.881 22.083 0.000) 22.163 5.449 ( -10.577 21.446 0.000) 23.913 5.742 ( 4.977 12.907 0.000) 13.833 5.796 ( 5.086 11.144 0.000) 12.250 5.918 ( -1.746 24.702 0.000) 24.763 6.092 ( -0.926 2.058 0.000) 2.257 6.508 ( -4.138 5.795 0.000) 7.121 6.567 ( -4.974 26.543 0.000) 27.005 6.614 ( 8.914 35.821 0.000) 36.914 6.722 ( -1.300 34.187 0.000) 34.212 6.782 ( 0.063 24.528 0.000) 24.529 7.056 ( -20.246 9.945 0.000) 22.557 7.357 ( 4.135 34.436 0.000) 34.683 7.420 ( 0.629 19.332 0.000) 19.342 7.867 ( 7.020 3.657 0.000) 7.915 7.906 ( -0.211 7.476 0.000) 7.479 7.962 ( -5.017 5.603 0.000) 7.521 8.086 ( -7.031 -1.591 0.000) 7.209 8.367 ( 0.523 -6.688 0.000) 6.708 8.383 ( 0.525 -6.873 0.000) 6.893 8.730 ( 3.818 -6.324 0.000) 7.387 8.771 ( -0.705 -8.337 0.000) 8.366 9.024 ( 3.864 -6.970 0.000) 7.969 9.039 ( 3.259 -6.483 0.000) 7.256 9.375 ( 5.065 -13.224 0.000) 14.161 9.433 ( 0.199 -12.218 0.000) 12.220 9.881 ( 3.487 -7.024 0.000) 7.842 9.973 ( -3.896 -7.533 0.000) 8.481 10.125 ( 4.230 4.490 0.000) 6.169 10.246 ( -5.153 1.372 0.000) 5.333 10.628 ( 6.473 -8.697 0.000) 10.841 10.693 ( 10.438 -2.245 0.000) 10.677 10.775 ( -5.809 -2.264 0.000) 6.235 10.888 ( -4.464 12.040 0.000) 12.841 11.076 ( -0.682 5.081 0.000) 5.127 11.086 ( 1.685 14.069 0.000) 14.170 11.405 ( -0.852 4.638 0.000) 4.715 11.445 ( -0.951 10.399 0.000) 10.443 11.567 ( 4.520 14.838 0.000) 15.511 11.705 ( -8.902 7.523 0.000) 11.655 11.784 ( 4.879 9.980 0.000) 11.108 11.888 ( -2.740 10.458 0.000) 10.811 12.251 ( 0.933 11.666 0.000) 11.703 12.418 ( -9.378 8.546 0.000) 12.688 12.893 ( 6.789 0.319 0.000) 6.797 13.058 ( -4.552 0.247 0.000) 4.558 13.265 ( 2.807 20.463 0.000) 20.654 13.319 ( 11.510 5.522 0.000) 12.766 13.364 ( -3.986 20.552 0.000) 20.935 13.493 ( -2.225 2.828 0.000) 3.598 13.875 ( 8.129 4.241 0.000) 9.169 14.095 ( -9.162 6.921 0.000) 11.482 14.290 ( -4.110 10.367 0.000) 11.152 14.302 ( -5.947 10.781 0.000) 12.312 15.188 ( 10.657 9.469 0.000) 14.256 15.334 ( -1.214 9.624 0.000) 9.700 16.145 ( 0.582 9.747 0.000) 9.764 16.173 ( -2.220 12.976 0.000) 13.164 16.417 ( 4.265 -11.726 0.000) 12.478 16.541 ( -7.335 -8.617 0.000) 11.316 17.653 ( 4.592 -4.759 0.000) 6.613 17.773 ( 8.446 -5.072 0.000) 9.852 17.777 ( -6.331 -5.857 0.000) 8.625 17.945 ( -6.807 -9.990 0.000) 12.089 18.312 ( 4.809 -8.529 0.000) 9.791 18.420 ( -4.778 -6.306 0.000) 7.911 18.608 ( 0.097 -7.655 0.000) 7.656 18.624 ( -1.494 -6.761 0.000) 6.924 19.061 ( 3.115 -11.774 0.000) 12.179 19.131 ( -3.031 -12.036 0.000) 12.411 ======================= Grid point 20 (13/81) ======================= q-point: ( 0.00 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 0.000 31.104 0.000) 31.104 3.059 ( 0.000 33.761 0.000) 33.761 3.841 ( 0.000 8.373 0.000) 8.373 3.982 ( 0.000 14.720 0.000) 14.720 4.063 ( 0.000 9.837 0.000) 9.837 4.512 ( 0.000 7.163 0.000) 7.163 4.563 ( 0.000 3.439 0.000) 3.439 4.616 ( 0.000 6.942 0.000) 6.942 4.765 ( 0.000 4.872 0.000) 4.872 4.975 ( 0.000 12.656 0.000) 12.656 5.181 ( 0.000 6.947 0.000) 6.947 5.191 ( 0.000 14.466 0.000) 14.466 5.360 ( 0.000 22.175 0.000) 22.175 5.399 ( 0.000 4.994 0.000) 4.994 5.611 ( 0.000 20.103 0.000) 20.103 5.612 ( 0.000 27.147 0.000) 27.147 5.902 ( 0.000 6.380 0.000) 6.380 5.941 ( 0.000 26.194 0.000) 26.194 6.424 ( 0.000 22.283 0.000) 22.283 6.819 ( 0.000 27.589 0.000) 27.589 6.882 ( 0.000 8.570 0.000) 8.570 7.092 ( 0.000 15.186 0.000) 15.186 7.112 ( 0.000 22.416 0.000) 22.416 7.386 ( 0.000 -2.679 0.000) 2.679 7.394 ( 0.000 15.099 0.000) 15.099 7.500 ( 0.000 29.247 0.000) 29.247 7.733 ( 0.000 -3.099 0.000) 3.099 7.887 ( 0.000 14.441 0.000) 14.441 7.965 ( 0.000 23.027 0.000) 23.027 8.087 ( 0.000 10.096 0.000) 10.096 8.148 ( 0.000 33.364 0.000) 33.364 8.264 ( 0.000 -10.409 0.000) 10.409 8.469 ( 0.000 4.039 0.000) 4.039 8.511 ( 0.000 6.004 0.000) 6.004 8.551 ( 0.000 13.896 0.000) 13.896 8.633 ( 0.000 -10.730 0.000) 10.730 8.761 ( 0.000 -0.977 0.000) 0.977 8.808 ( 0.000 17.812 0.000) 17.812 8.862 ( 0.000 -9.217 0.000) 9.217 9.049 ( 0.000 -7.267 0.000) 7.267 9.771 ( 0.000 -1.824 0.000) 1.824 10.000 ( 0.000 0.166 0.000) 0.166 10.036 ( 0.000 -12.363 0.000) 12.363 10.223 ( 0.000 -5.802 0.000) 5.802 10.381 ( 0.000 0.362 0.000) 0.362 10.409 ( 0.000 -1.417 0.000) 1.417 11.041 ( 0.000 9.540 0.000) 9.540 11.072 ( 0.000 -9.421 0.000) 9.421 11.085 ( 0.000 4.577 0.000) 4.577 11.323 ( 0.000 14.688 0.000) 14.688 11.437 ( 0.000 7.153 0.000) 7.153 11.556 ( 0.000 7.436 0.000) 7.436 11.769 ( 0.000 1.745 0.000) 1.745 11.877 ( 0.000 4.842 0.000) 4.842 11.922 ( 0.000 -0.371 0.000) 0.371 12.310 ( 0.000 8.415 0.000) 8.415 12.556 ( 0.000 14.113 0.000) 14.113 12.864 ( 0.000 -1.905 0.000) 1.905 12.996 ( 0.000 -0.194 0.000) 0.194 13.112 ( 0.000 19.031 0.000) 19.031 13.190 ( 0.000 28.593 0.000) 28.593 13.300 ( 0.000 -6.810 0.000) 6.810 13.407 ( 0.000 8.555 0.000) 8.555 13.696 ( 0.000 -1.076 0.000) 1.076 13.821 ( 0.000 11.250 0.000) 11.250 14.587 ( 0.000 10.077 0.000) 10.077 14.624 ( 0.000 15.323 0.000) 15.323 15.191 ( 0.000 4.495 0.000) 4.495 15.219 ( 0.000 16.210 0.000) 16.210 15.246 ( 0.000 23.280 0.000) 23.280 15.955 ( 0.000 -9.463 0.000) 9.463 16.109 ( 0.000 -9.549 0.000) 9.549 16.394 ( 0.000 7.216 0.000) 7.216 16.757 ( 0.000 -3.981 0.000) 3.981 17.479 ( 0.000 2.208 0.000) 2.208 17.608 ( 0.000 0.362 0.000) 0.362 17.806 ( 0.000 -11.621 0.000) 11.621 17.821 ( 0.000 -8.562 0.000) 8.562 17.956 ( 0.000 -12.223 0.000) 12.223 18.449 ( 0.000 -9.603 0.000) 9.603 18.450 ( 0.000 -8.026 0.000) 8.026 18.501 ( 0.000 -8.999 0.000) 8.999 18.730 ( 0.000 -13.206 0.000) 13.206 18.950 ( 0.000 -12.980 0.000) 12.980 ======================= Grid point 21 (14/81) ======================= q-point: ( 0.20 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 13.237 26.655 0.000) 29.761 3.135 ( 6.848 31.942 0.000) 32.668 3.862 ( -1.274 12.317 0.000) 12.383 4.077 ( 7.829 12.201 0.000) 14.497 4.117 ( 3.624 7.882 0.000) 8.676 4.354 ( -5.782 8.759 0.000) 10.496 4.440 ( -14.681 7.872 0.000) 16.658 4.503 ( -4.901 7.272 0.000) 8.770 4.835 ( 3.457 8.397 0.000) 9.081 5.016 ( 3.392 5.217 0.000) 6.223 5.117 ( -6.548 11.926 0.000) 13.605 5.292 ( -4.492 13.533 0.000) 14.259 5.309 ( -1.068 8.011 0.000) 8.082 5.415 ( 14.025 16.335 0.000) 21.530 5.725 ( 9.611 26.001 0.000) 27.720 5.772 ( 9.422 20.835 0.000) 22.866 5.899 ( -1.414 19.443 0.000) 19.495 5.958 ( 3.265 9.396 0.000) 9.947 6.310 ( -9.877 20.350 0.000) 22.620 6.585 ( -10.984 17.037 0.000) 20.271 6.876 ( -13.511 7.776 0.000) 15.589 7.037 ( -1.515 16.995 0.000) 17.062 7.197 ( -5.997 5.590 0.000) 8.198 7.222 ( 4.918 28.370 0.000) 28.793 7.363 ( -5.631 29.923 0.000) 30.448 7.541 ( 9.878 11.905 0.000) 15.470 7.925 ( -5.587 28.427 0.000) 28.971 7.925 ( 10.081 1.282 0.000) 10.162 7.974 ( 5.219 16.104 0.000) 16.929 8.091 ( 1.171 15.955 0.000) 15.998 8.177 ( -10.448 4.710 0.000) 11.461 8.180 ( 1.799 26.737 0.000) 26.798 8.334 ( 3.043 -3.739 0.000) 4.821 8.421 ( -7.882 6.142 0.000) 9.992 8.623 ( -0.708 -7.716 0.000) 7.749 8.651 ( -1.973 12.002 0.000) 12.163 8.800 ( 4.185 -2.417 0.000) 4.832 8.836 ( 6.828 -2.458 0.000) 7.258 8.993 ( 7.201 -1.772 0.000) 7.416 9.124 ( 4.965 -9.148 0.000) 10.408 9.754 ( -1.257 -3.261 0.000) 3.495 9.938 ( -4.359 -5.751 0.000) 7.217 10.089 ( 3.290 -4.777 0.000) 5.801 10.244 ( 1.932 -3.983 0.000) 4.427 10.407 ( -0.090 -3.869 0.000) 3.870 10.408 ( 4.238 -0.564 0.000) 4.276 10.952 ( -9.971 1.539 0.000) 10.089 11.076 ( 0.805 -5.695 0.000) 5.752 11.187 ( 10.502 11.318 0.000) 15.440 11.238 ( -6.470 9.964 0.000) 11.880 11.507 ( -3.746 0.565 0.000) 3.788 11.539 ( 5.634 5.136 0.000) 7.624 11.744 ( -5.914 -0.233 0.000) 5.918 11.929 ( 8.445 14.992 0.000) 17.207 11.939 ( 2.672 2.294 0.000) 3.521 12.097 ( -14.178 7.865 0.000) 16.213 12.599 ( 3.407 10.529 0.000) 11.067 12.820 ( -9.795 18.892 0.000) 21.280 13.052 ( -0.864 7.107 0.000) 7.159 13.089 ( 7.128 1.399 0.000) 7.264 13.234 ( -1.326 4.704 0.000) 4.888 13.415 ( 4.881 3.022 0.000) 5.741 13.463 ( 12.590 17.406 0.000) 21.482 13.649 ( -1.910 3.411 0.000) 3.909 13.892 ( 4.629 9.647 0.000) 10.700 14.445 ( -8.283 9.885 0.000) 12.897 14.652 ( -3.696 13.510 0.000) 14.006 14.798 ( -18.610 9.674 0.000) 20.974 15.232 ( 3.211 12.604 0.000) 13.007 15.512 ( 6.835 15.041 0.000) 16.521 16.033 ( 7.035 -7.662 0.000) 10.402 16.127 ( 1.755 -10.128 0.000) 10.279 16.411 ( 1.224 9.785 0.000) 9.861 16.670 ( -7.115 -1.564 0.000) 7.285 17.496 ( 1.205 -0.986 0.000) 1.557 17.630 ( 2.283 -0.274 0.000) 2.299 17.747 ( -3.920 -9.038 0.000) 9.852 17.822 ( -1.388 -10.079 0.000) 10.174 18.008 ( 4.514 -11.189 0.000) 12.066 18.377 ( -4.398 -8.728 0.000) 9.773 18.450 ( 0.090 -7.872 0.000) 7.873 18.513 ( -0.532 -8.700 0.000) 8.716 18.757 ( 2.288 -12.941 0.000) 13.142 18.934 ( -1.413 -12.779 0.000) 12.857 ======================= Grid point 22 (15/81) ======================= q-point: ( 0.40 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( 12.440 26.949 0.000) 29.682 3.427 ( 21.832 17.642 0.000) 28.069 3.664 ( -13.808 20.174 0.000) 24.447 3.950 ( -22.735 9.716 0.000) 24.724 4.208 ( 5.934 10.221 0.000) 11.819 4.330 ( 1.624 5.956 0.000) 6.174 4.395 ( 1.549 15.042 0.000) 15.122 4.427 ( 6.224 4.712 0.000) 7.807 4.833 ( -2.863 4.926 0.000) 5.697 4.901 ( -10.449 8.811 0.000) 13.668 5.087 ( 3.826 9.656 0.000) 10.387 5.186 ( -4.777 15.135 0.000) 15.871 5.470 ( 13.091 10.205 0.000) 16.599 5.706 ( 4.181 21.046 0.000) 21.457 5.768 ( 0.800 12.803 0.000) 12.828 5.954 ( 6.290 22.039 0.000) 22.919 5.973 ( 5.720 23.513 0.000) 24.199 6.040 ( -13.457 15.143 0.000) 20.258 6.127 ( 10.823 2.628 0.000) 11.137 6.354 ( -10.371 16.470 0.000) 19.463 6.621 ( -5.059 9.881 0.000) 11.101 6.762 ( -14.247 6.213 0.000) 15.543 7.241 ( 3.024 22.157 0.000) 22.362 7.284 ( -1.288 26.114 0.000) 26.146 7.362 ( 7.504 34.859 0.000) 35.658 7.599 ( -12.245 29.630 0.000) 32.061 7.863 ( 11.243 14.513 0.000) 18.358 8.061 ( 0.586 1.765 0.000) 1.860 8.067 ( 3.417 20.109 0.000) 20.397 8.131 ( 1.527 8.487 0.000) 8.623 8.132 ( 0.571 22.084 0.000) 22.092 8.165 ( -6.373 29.306 0.000) 29.990 8.249 ( -0.960 -2.704 0.000) 2.869 8.319 ( -3.928 6.541 0.000) 7.630 8.628 ( 0.922 -3.338 0.000) 3.463 8.636 ( 0.333 -0.041 0.000) 0.336 8.902 ( 3.809 -6.469 0.000) 7.507 8.933 ( 1.354 -7.386 0.000) 7.509 9.138 ( 5.328 -5.034 0.000) 7.330 9.196 ( 0.566 -8.567 0.000) 8.585 9.748 ( 1.556 -5.686 0.000) 5.896 9.828 ( -5.079 -6.829 0.000) 8.511 10.166 ( 3.842 -0.731 0.000) 3.911 10.249 ( -2.757 -1.034 0.000) 2.944 10.470 ( 7.353 -6.627 0.000) 9.899 10.617 ( 13.204 -4.006 0.000) 13.798 10.701 ( -10.477 -2.449 0.000) 10.759 10.978 ( -14.941 0.267 0.000) 14.943 11.160 ( 5.030 0.042 0.000) 5.030 11.315 ( -6.600 4.790 0.000) 8.155 11.489 ( 9.945 7.613 0.000) 12.525 11.611 ( 1.170 4.731 0.000) 4.873 11.671 ( -1.060 0.990 0.000) 1.451 11.781 ( -12.083 7.324 0.000) 14.130 12.112 ( 8.740 9.724 0.000) 13.074 12.118 ( 7.334 15.964 0.000) 17.569 12.598 ( -7.292 17.283 0.000) 18.758 12.624 ( -4.517 10.721 0.000) 11.634 12.966 ( 0.550 7.945 0.000) 7.964 13.083 ( -6.271 5.903 0.000) 8.612 13.340 ( 8.223 -0.923 0.000) 8.275 13.480 ( -3.662 -1.014 0.000) 3.800 13.739 ( 11.350 22.164 0.000) 24.901 13.780 ( 11.879 14.753 0.000) 18.941 13.982 ( 3.816 8.959 0.000) 9.737 14.219 ( -13.015 6.124 0.000) 14.384 14.469 ( -8.869 6.181 0.000) 10.810 14.481 ( -8.024 9.084 0.000) 12.121 15.377 ( 8.344 8.416 0.000) 11.851 15.527 ( -4.187 8.980 0.000) 9.908 16.187 ( 3.217 -9.391 0.000) 9.927 16.190 ( 4.654 -4.238 0.000) 6.294 16.433 ( 0.880 11.925 0.000) 11.958 16.502 ( -6.473 4.598 0.000) 7.940 17.541 ( 3.357 -4.815 0.000) 5.870 17.643 ( -5.297 -7.244 0.000) 8.974 17.697 ( 3.285 -4.017 0.000) 5.189 17.767 ( -3.088 -8.096 0.000) 8.665 18.137 ( 6.707 -9.238 0.000) 11.416 18.274 ( -5.342 -8.396 0.000) 9.951 18.457 ( 0.605 -7.624 0.000) 7.648 18.482 ( -1.679 -7.760 0.000) 7.940 18.820 ( 3.198 -12.527 0.000) 12.929 18.888 ( -2.759 -12.475 0.000) 12.776 ======================= Grid point 25 (16/81) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( 0.000 24.308 0.000) 24.308 3.671 ( 0.000 28.122 0.000) 28.122 4.005 ( 0.000 8.261 0.000) 8.261 4.262 ( 0.000 13.435 0.000) 13.435 4.270 ( 0.000 11.382 0.000) 11.382 4.579 ( 0.000 -0.315 0.000) 0.315 4.639 ( 0.000 6.079 0.000) 6.079 4.782 ( 0.000 9.954 0.000) 9.954 4.813 ( 0.000 1.136 0.000) 1.136 5.192 ( 0.000 8.824 0.000) 8.824 5.212 ( 0.000 -0.366 0.000) 0.366 5.423 ( 0.000 -0.931 0.000) 0.931 5.501 ( 0.000 17.170 0.000) 17.170 5.620 ( 0.000 5.519 0.000) 5.519 5.728 ( 0.000 -1.543 0.000) 1.543 5.951 ( 0.000 12.615 0.000) 12.615 6.357 ( 0.000 14.637 0.000) 14.637 6.474 ( 0.000 33.591 0.000) 33.591 6.813 ( 0.000 12.759 0.000) 12.759 6.858 ( 0.000 -7.135 0.000) 7.135 7.057 ( 0.000 -0.690 0.000) 0.690 7.243 ( 0.000 2.837 0.000) 2.837 7.357 ( 0.000 2.355 0.000) 2.355 7.560 ( 0.000 20.227 0.000) 20.227 7.678 ( 0.000 14.196 0.000) 14.196 7.723 ( 0.000 0.654 0.000) 0.654 7.851 ( 0.000 -14.192 0.000) 14.192 8.131 ( 0.000 28.977 0.000) 28.977 8.213 ( 0.000 -3.760 0.000) 3.760 8.246 ( 0.000 8.289 0.000) 8.289 8.357 ( 0.000 6.747 0.000) 6.747 8.372 ( 0.000 13.906 0.000) 13.906 8.540 ( 0.000 6.740 0.000) 6.740 8.584 ( 0.000 -3.754 0.000) 3.754 8.666 ( 0.000 15.960 0.000) 15.960 8.792 ( 0.000 9.453 0.000) 9.453 9.042 ( 0.000 9.660 0.000) 9.660 9.125 ( 0.000 32.253 0.000) 32.253 9.176 ( 0.000 30.649 0.000) 30.649 9.268 ( 0.000 27.139 0.000) 27.139 9.775 ( 0.000 3.401 0.000) 3.401 9.786 ( 0.000 -12.048 0.000) 12.048 9.984 ( 0.000 -0.778 0.000) 0.778 10.136 ( 0.000 -2.907 0.000) 2.907 10.418 ( 0.000 2.123 0.000) 2.123 10.477 ( 0.000 8.513 0.000) 8.513 10.831 ( 0.000 -13.883 0.000) 13.883 11.151 ( 0.000 4.057 0.000) 4.057 11.250 ( 0.000 10.038 0.000) 10.038 11.483 ( 0.000 1.309 0.000) 1.309 11.503 ( 0.000 0.097 0.000) 0.097 11.597 ( 0.000 -2.163 0.000) 2.163 11.710 ( 0.000 -5.743 0.000) 5.743 11.951 ( 0.000 3.574 0.000) 3.574 11.967 ( 0.000 3.163 0.000) 3.163 12.512 ( 0.000 11.535 0.000) 11.535 12.765 ( 0.000 -6.399 0.000) 6.399 12.855 ( 0.000 14.513 0.000) 14.513 12.966 ( 0.000 -2.111 0.000) 2.111 13.178 ( 0.000 -5.548 0.000) 5.548 13.485 ( 0.000 17.342 0.000) 17.342 13.567 ( 0.000 6.764 0.000) 6.764 13.706 ( 0.000 2.145 0.000) 2.145 13.723 ( 0.000 24.536 0.000) 24.536 13.983 ( 0.000 5.380 0.000) 5.380 14.782 ( 0.000 9.812 0.000) 9.812 14.874 ( 0.000 10.053 0.000) 10.053 15.137 ( 0.000 -11.877 0.000) 11.877 15.510 ( 0.000 12.877 0.000) 12.877 15.686 ( 0.000 21.138 0.000) 21.138 15.850 ( 0.000 1.104 0.000) 1.104 15.922 ( 0.000 -9.195 0.000) 9.195 16.561 ( 0.000 9.384 0.000) 9.384 16.686 ( 0.000 -3.477 0.000) 3.477 17.530 ( 0.000 1.906 0.000) 1.906 17.596 ( 0.000 -9.645 0.000) 9.645 17.600 ( 0.000 -1.077 0.000) 1.077 17.660 ( 0.000 -7.696 0.000) 7.696 17.715 ( 0.000 -11.842 0.000) 11.842 18.258 ( 0.000 -9.586 0.000) 9.586 18.300 ( 0.000 -11.449 0.000) 11.449 18.309 ( 0.000 -6.151 0.000) 6.151 18.470 ( 0.000 -12.963 0.000) 12.963 18.705 ( 0.000 -11.751 0.000) 11.751 ======================= Grid point 26 (17/81) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 7.564 21.929 0.000) 23.197 3.717 ( 4.114 26.855 0.000) 27.169 4.078 ( 4.419 9.232 0.000) 10.235 4.279 ( 0.642 9.160 0.000) 9.182 4.289 ( 1.365 9.205 0.000) 9.306 4.517 ( -7.924 1.439 0.000) 8.053 4.542 ( -4.415 10.075 0.000) 11.000 4.695 ( -1.151 11.809 0.000) 11.865 4.934 ( 4.628 2.998 0.000) 5.514 5.116 ( -3.836 4.788 0.000) 6.135 5.314 ( -3.454 -0.420 0.000) 3.480 5.371 ( 0.152 9.316 0.000) 9.317 5.431 ( 3.880 4.807 0.000) 6.177 5.622 ( 0.349 6.312 0.000) 6.321 5.863 ( 9.952 0.828 0.000) 9.986 6.100 ( 8.933 9.994 0.000) 13.404 6.260 ( -7.795 12.152 0.000) 14.437 6.528 ( 3.897 33.119 0.000) 33.348 6.549 ( -14.899 2.597 0.000) 15.124 6.739 ( -8.730 3.055 0.000) 9.249 7.013 ( -10.331 7.039 0.000) 12.501 7.287 ( 8.543 2.588 0.000) 8.927 7.393 ( -7.645 18.798 0.000) 20.294 7.613 ( 12.851 4.218 0.000) 13.525 7.706 ( -1.334 4.604 0.000) 4.794 7.749 ( 5.273 11.136 0.000) 12.321 7.998 ( 8.448 -8.253 0.000) 11.810 8.112 ( -1.211 21.106 0.000) 21.141 8.228 ( 0.408 -4.968 0.000) 4.985 8.269 ( 0.922 8.118 0.000) 8.170 8.361 ( -0.587 7.472 0.000) 7.495 8.372 ( 1.785 8.328 0.000) 8.517 8.545 ( -1.467 21.062 0.000) 21.113 8.569 ( 1.846 11.061 0.000) 11.214 8.670 ( -0.020 -2.032 0.000) 2.032 8.778 ( -1.695 5.080 0.000) 5.355 9.018 ( -0.762 19.419 0.000) 19.434 9.143 ( -2.979 31.797 0.000) 31.936 9.186 ( 4.310 24.343 0.000) 24.722 9.292 ( 1.615 23.474 0.000) 23.529 9.727 ( -3.364 1.577 0.000) 3.715 9.772 ( -1.644 -9.854 0.000) 9.990 10.004 ( 2.587 -2.478 0.000) 3.582 10.188 ( 3.906 -1.751 0.000) 4.281 10.352 ( -3.996 -1.827 0.000) 4.393 10.493 ( 2.208 7.886 0.000) 8.190 10.926 ( 7.144 -8.522 0.000) 11.120 11.001 ( -13.094 3.900 0.000) 13.663 11.317 ( -12.482 -0.877 0.000) 12.512 11.366 ( 7.776 2.981 0.000) 8.327 11.485 ( -2.054 2.023 0.000) 2.883 11.561 ( 2.423 -1.633 0.000) 2.922 11.688 ( -3.892 -5.101 0.000) 6.417 12.007 ( 5.472 4.114 0.000) 6.846 12.146 ( 11.847 7.449 0.000) 13.994 12.303 ( -11.411 11.302 0.000) 16.061 12.814 ( -0.198 9.459 0.000) 9.461 12.964 ( 6.652 0.002 0.000) 6.652 13.076 ( -3.444 -2.878 0.000) 4.488 13.137 ( 7.655 1.876 0.000) 7.881 13.464 ( -2.630 16.902 0.000) 17.106 13.488 ( -4.345 4.171 0.000) 6.023 13.708 ( 2.061 3.712 0.000) 4.246 13.833 ( 8.947 17.453 0.000) 19.613 14.062 ( 6.489 6.631 0.000) 9.278 14.626 ( -10.240 8.510 0.000) 13.314 14.872 ( -17.094 -3.718 0.000) 17.494 14.905 ( -4.051 12.003 0.000) 12.668 15.411 ( -3.747 4.394 0.000) 5.774 15.770 ( -3.199 7.974 0.000) 8.592 15.960 ( 13.336 5.361 0.000) 14.373 15.974 ( 3.945 -4.349 0.000) 5.871 16.609 ( 3.177 10.078 0.000) 10.567 16.641 ( -3.437 -1.724 0.000) 3.845 17.501 ( -1.676 0.327 0.000) 1.707 17.570 ( -2.041 -8.433 0.000) 8.677 17.603 ( 0.150 -2.178 0.000) 2.184 17.650 ( -1.076 -7.686 0.000) 7.761 17.792 ( 6.200 -10.344 0.000) 12.060 18.196 ( -3.881 -9.577 0.000) 10.334 18.310 ( 0.047 -6.339 0.000) 6.339 18.323 ( 0.521 -10.434 0.000) 10.447 18.504 ( 2.837 -12.556 0.000) 12.873 18.693 ( -1.184 -11.646 0.000) 11.706 ======================= Grid point 27 (18/81) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( 14.453 15.622 0.000) 21.283 3.845 ( 7.164 22.773 0.000) 23.873 4.031 ( -7.569 16.813 0.000) 18.438 4.120 ( -15.883 8.105 0.000) 17.831 4.365 ( 5.952 5.511 0.000) 8.112 4.434 ( 0.034 4.448 0.000) 4.448 4.563 ( 5.427 9.160 0.000) 10.647 4.678 ( -2.465 12.663 0.000) 12.900 4.914 ( -0.153 4.799 0.000) 4.802 5.068 ( -11.771 7.787 0.000) 14.113 5.217 ( 8.764 5.054 0.000) 10.117 5.378 ( -4.873 6.415 0.000) 8.056 5.611 ( 11.813 4.229 0.000) 12.547 5.752 ( 8.910 -3.973 0.000) 9.755 5.937 ( -8.276 3.640 0.000) 9.041 6.073 ( -12.121 -1.822 0.000) 12.257 6.214 ( 10.504 5.442 0.000) 11.830 6.445 ( 5.855 15.373 0.000) 16.450 6.496 ( -12.463 3.635 0.000) 12.982 6.572 ( -2.432 25.954 0.000) 26.068 6.910 ( 3.141 19.146 0.000) 19.402 7.102 ( -11.779 24.835 0.000) 27.487 7.535 ( 7.510 2.971 0.000) 8.077 7.652 ( -3.452 4.169 0.000) 5.412 7.846 ( 6.879 10.902 0.000) 12.891 7.874 ( 4.364 5.244 0.000) 6.823 8.084 ( -0.391 5.864 0.000) 5.878 8.098 ( -0.726 9.607 0.000) 9.634 8.222 ( 0.742 2.347 0.000) 2.461 8.272 ( -0.871 13.992 0.000) 14.019 8.375 ( 1.944 -1.823 0.000) 2.665 8.412 ( 0.438 4.421 0.000) 4.443 8.554 ( 1.740 24.140 0.000) 24.202 8.586 ( -0.690 21.513 0.000) 21.524 8.680 ( 1.300 -9.237 0.000) 9.328 8.724 ( -2.524 -8.780 0.000) 9.136 9.023 ( 1.133 29.807 0.000) 29.828 9.069 ( -3.048 31.861 0.000) 32.006 9.278 ( 3.254 18.868 0.000) 19.147 9.313 ( -0.055 19.397 0.000) 19.398 9.676 ( -0.455 -0.984 0.000) 1.084 9.712 ( -3.099 -4.693 0.000) 5.624 10.098 ( 4.890 -4.886 0.000) 6.913 10.193 ( -3.731 -4.859 0.000) 6.126 10.398 ( 8.992 0.051 0.000) 8.992 10.610 ( 4.724 3.269 0.000) 5.745 10.691 ( -8.554 1.462 0.000) 8.678 10.963 ( -17.229 -1.319 0.000) 17.279 11.106 ( 8.393 -4.175 0.000) 9.374 11.300 ( -8.360 -3.544 0.000) 9.081 11.613 ( 1.921 -2.423 0.000) 3.092 11.631 ( 0.522 -3.456 0.000) 3.495 11.705 ( 13.059 10.344 0.000) 16.659 11.990 ( -11.037 10.104 0.000) 14.964 12.254 ( 8.342 5.490 0.000) 9.987 12.331 ( 3.407 6.945 0.000) 7.736 12.820 ( -2.181 8.985 0.000) 9.246 12.832 ( -6.510 8.383 0.000) 10.614 13.152 ( 1.524 8.252 0.000) 8.392 13.224 ( 3.854 -0.332 0.000) 3.868 13.374 ( -2.501 10.765 0.000) 11.052 13.445 ( -3.386 -1.645 0.000) 3.765 13.935 ( 18.116 4.746 0.000) 18.727 14.073 ( 11.903 10.400 0.000) 15.807 14.218 ( 4.692 10.981 0.000) 11.941 14.345 ( -15.868 7.046 0.000) 17.362 14.538 ( -9.690 0.172 0.000) 9.692 14.651 ( -14.437 7.977 0.000) 16.494 15.471 ( 7.179 1.174 0.000) 7.274 15.643 ( -7.457 2.907 0.000) 8.004 16.082 ( 5.510 -0.842 0.000) 5.574 16.155 ( 1.627 2.439 0.000) 2.932 16.601 ( 1.273 4.334 0.000) 4.518 16.645 ( -0.664 9.460 0.000) 9.483 17.482 ( 0.274 -1.582 0.000) 1.606 17.516 ( -2.507 -5.328 0.000) 5.888 17.607 ( 0.359 -4.678 0.000) 4.692 17.622 ( -1.069 -6.603 0.000) 6.689 17.950 ( 7.485 -9.685 0.000) 12.240 18.096 ( -5.494 -9.605 0.000) 11.065 18.312 ( 0.207 -7.039 0.000) 7.042 18.320 ( -0.477 -8.573 0.000) 8.587 18.579 ( 3.595 -11.834 0.000) 12.368 18.650 ( -2.702 -11.544 0.000) 11.856 ======================= Grid point 30 (19/81) ======================= q-point: ( 0.00 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.827 ( 0.000 16.729 0.000) 16.729 4.141 ( 0.000 18.957 0.000) 18.957 4.159 ( 0.000 7.201 0.000) 7.201 4.496 ( 0.000 10.513 0.000) 10.513 4.508 ( 0.000 11.995 0.000) 11.995 4.569 ( 0.000 -0.545 0.000) 0.545 4.776 ( 0.000 8.866 0.000) 8.866 4.835 ( 0.000 1.294 0.000) 1.294 5.001 ( 0.000 12.077 0.000) 12.077 5.171 ( 0.000 -4.074 0.000) 4.074 5.325 ( 0.000 5.033 0.000) 5.033 5.401 ( 0.000 -0.703 0.000) 0.703 5.664 ( 0.000 0.600 0.000) 0.600 5.704 ( 0.000 -0.754 0.000) 0.754 5.852 ( 0.000 17.918 0.000) 17.918 6.076 ( 0.000 0.202 0.000) 0.202 6.486 ( 0.000 -0.684 0.000) 0.684 6.696 ( 0.000 -7.915 0.000) 7.915 6.814 ( 0.000 -7.041 0.000) 7.041 6.967 ( 0.000 12.641 0.000) 12.641 7.093 ( 0.000 1.229 0.000) 1.229 7.261 ( 0.000 2.396 0.000) 2.396 7.325 ( 0.000 -4.738 0.000) 4.738 7.559 ( 0.000 -14.387 0.000) 14.387 7.720 ( 0.000 1.826 0.000) 1.826 7.942 ( 0.000 16.212 0.000) 16.212 7.956 ( 0.000 13.515 0.000) 13.515 8.018 ( 0.000 -10.210 0.000) 10.210 8.317 ( 0.000 2.618 0.000) 2.618 8.577 ( 0.000 12.579 0.000) 12.579 8.584 ( 0.000 14.703 0.000) 14.703 8.588 ( 0.000 8.841 0.000) 8.841 8.713 ( 0.000 14.577 0.000) 14.577 8.778 ( 0.000 16.708 0.000) 16.708 9.010 ( 0.000 15.610 0.000) 15.610 9.026 ( 0.000 14.156 0.000) 14.156 9.443 ( 0.000 26.660 0.000) 26.660 9.509 ( 0.000 5.950 0.000) 5.950 9.604 ( 0.000 -5.016 0.000) 5.016 9.676 ( 0.000 16.057 0.000) 16.057 9.777 ( 0.000 22.529 0.000) 22.529 10.005 ( 0.000 18.650 0.000) 18.650 10.034 ( 0.000 8.371 0.000) 8.371 10.084 ( 0.000 -3.970 0.000) 3.970 10.488 ( 0.000 5.250 0.000) 5.250 10.590 ( 0.000 -8.170 0.000) 8.170 10.674 ( 0.000 10.291 0.000) 10.291 11.220 ( 0.000 1.438 0.000) 1.438 11.405 ( 0.000 -8.022 0.000) 8.022 11.413 ( 0.000 4.852 0.000) 4.852 11.463 ( 0.000 -3.900 0.000) 3.900 11.565 ( 0.000 2.802 0.000) 2.802 11.581 ( 0.000 -6.207 0.000) 6.207 11.995 ( 0.000 -0.287 0.000) 0.287 12.056 ( 0.000 6.895 0.000) 6.895 12.657 ( 0.000 -3.692 0.000) 3.692 12.716 ( 0.000 7.835 0.000) 7.835 12.957 ( 0.000 2.269 0.000) 2.269 13.074 ( 0.000 -5.168 0.000) 5.168 13.083 ( 0.000 8.496 0.000) 8.496 13.633 ( 0.000 0.168 0.000) 0.168 13.784 ( 0.000 13.353 0.000) 13.353 13.789 ( 0.000 5.682 0.000) 5.682 14.050 ( 0.000 1.855 0.000) 1.855 14.130 ( 0.000 16.529 0.000) 16.529 14.775 ( 0.000 -22.573 0.000) 22.573 14.973 ( 0.000 9.524 0.000) 9.524 15.026 ( 0.000 6.035 0.000) 6.035 15.703 ( 0.000 6.206 0.000) 6.206 15.757 ( 0.000 -7.447 0.000) 7.447 15.958 ( 0.000 7.697 0.000) 7.697 16.069 ( 0.000 17.696 0.000) 17.696 16.612 ( 0.000 -4.164 0.000) 4.164 16.751 ( 0.000 9.850 0.000) 9.850 17.435 ( 0.000 -6.485 0.000) 6.485 17.437 ( 0.000 -11.616 0.000) 11.616 17.520 ( 0.000 -6.618 0.000) 6.618 17.574 ( 0.000 -1.262 0.000) 1.262 17.595 ( 0.000 -0.093 0.000) 0.093 18.054 ( 0.000 -13.487 0.000) 13.487 18.083 ( 0.000 -7.910 0.000) 7.910 18.211 ( 0.000 -3.856 0.000) 3.856 18.233 ( 0.000 -10.831 0.000) 10.831 18.493 ( 0.000 -9.670 0.000) 9.670 ======================= Grid point 31 (20/81) ======================= q-point: ( 0.20 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( 4.874 16.074 0.000) 16.796 4.169 ( 2.287 18.285 0.000) 18.428 4.227 ( 5.418 6.247 0.000) 8.269 4.451 ( -4.269 8.069 0.000) 9.129 4.469 ( -2.216 9.379 0.000) 9.637 4.532 ( -3.606 0.426 0.000) 3.631 4.746 ( -1.449 10.745 0.000) 10.842 4.901 ( 3.527 5.625 0.000) 6.639 5.018 ( 0.899 8.681 0.000) 8.727 5.215 ( -2.805 5.607 0.000) 6.269 5.224 ( 2.065 -6.095 0.000) 6.435 5.504 ( 6.012 2.696 0.000) 6.589 5.569 ( -4.586 6.335 0.000) 7.821 5.686 ( -1.803 2.284 0.000) 2.910 5.945 ( 5.583 7.941 0.000) 9.707 6.127 ( 0.474 -5.627 0.000) 5.647 6.371 ( -7.985 1.073 0.000) 8.056 6.545 ( -6.414 -1.438 0.000) 6.573 6.758 ( -5.499 -0.397 0.000) 5.514 7.040 ( 1.559 16.672 0.000) 16.745 7.121 ( -2.279 1.897 0.000) 2.966 7.210 ( 8.454 -8.173 0.000) 11.759 7.473 ( 5.437 -9.431 0.000) 10.886 7.706 ( 9.154 -6.033 0.000) 10.964 7.779 ( 5.289 2.164 0.000) 5.714 7.837 ( -7.266 11.658 0.000) 13.737 7.993 ( 2.562 11.017 0.000) 11.311 8.043 ( 2.234 -8.440 0.000) 8.731 8.362 ( 3.970 2.529 0.000) 4.707 8.521 ( -3.509 16.969 0.000) 17.328 8.546 ( -2.787 9.897 0.000) 10.282 8.603 ( 1.096 10.585 0.000) 10.642 8.731 ( 0.483 13.560 0.000) 13.569 8.790 ( 0.142 14.480 0.000) 14.481 8.979 ( -4.107 13.046 0.000) 13.678 8.985 ( -1.979 15.889 0.000) 16.012 9.445 ( 2.284 20.733 0.000) 20.858 9.568 ( 3.027 11.482 0.000) 11.875 9.611 ( 0.585 -3.504 0.000) 3.552 9.690 ( 0.927 16.538 0.000) 16.564 9.754 ( -1.899 22.827 0.000) 22.906 9.933 ( -3.847 18.015 0.000) 18.421 10.034 ( 0.434 7.493 0.000) 7.506 10.130 ( 0.232 -5.546 0.000) 5.551 10.378 ( -1.493 6.521 0.000) 6.690 10.671 ( 0.119 9.108 0.000) 9.109 10.788 ( 10.887 -4.657 0.000) 11.841 11.111 ( -15.602 7.090 0.000) 17.138 11.238 ( -12.548 -6.392 0.000) 14.083 11.279 ( -1.028 -7.335 0.000) 7.407 11.501 ( 2.152 -4.468 0.000) 4.960 11.554 ( -2.571 -5.132 0.000) 5.739 11.646 ( 7.902 7.881 0.000) 11.160 12.101 ( 3.659 5.832 0.000) 6.885 12.246 ( 15.495 2.791 0.000) 15.745 12.478 ( -8.350 5.882 0.000) 10.213 12.934 ( 11.566 -1.466 0.000) 11.658 12.937 ( -0.325 4.104 0.000) 4.116 13.043 ( -2.917 -1.232 0.000) 3.166 13.177 ( 5.293 2.971 0.000) 6.070 13.539 ( -6.836 0.686 0.000) 6.870 13.752 ( -3.339 12.036 0.000) 12.490 13.812 ( 3.912 6.343 0.000) 7.452 14.119 ( -0.474 11.318 0.000) 11.328 14.148 ( 8.129 2.379 0.000) 8.470 14.646 ( -9.827 -17.591 0.000) 20.150 14.776 ( -11.634 6.694 0.000) 13.422 15.126 ( -3.047 10.665 0.000) 11.092 15.402 ( -9.249 -3.815 0.000) 10.005 15.886 ( -6.052 6.783 0.000) 9.091 15.950 ( 7.357 0.168 0.000) 7.359 16.187 ( 7.456 12.894 0.000) 14.894 16.598 ( -0.198 -2.403 0.000) 2.411 16.802 ( 3.014 9.519 0.000) 9.985 17.428 ( -0.397 -5.857 0.000) 5.871 17.439 ( 0.107 -7.661 0.000) 7.662 17.517 ( -0.200 -5.806 0.000) 5.809 17.579 ( -1.332 0.011 0.000) 1.332 17.631 ( 4.796 -5.359 0.000) 7.192 17.996 ( -3.612 -11.113 0.000) 11.685 18.122 ( 1.822 -9.263 0.000) 9.441 18.204 ( -0.582 -4.316 0.000) 4.355 18.274 ( 3.426 -10.588 0.000) 11.128 18.482 ( -1.116 -9.677 0.000) 9.741 ======================= Grid point 32 (21/81) ======================= q-point: ( 0.40 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.035 ( 8.896 12.781 0.000) 15.572 4.210 ( -1.606 12.361 0.000) 12.465 4.298 ( -5.580 11.980 0.000) 13.216 4.309 ( -0.453 10.930 0.000) 10.939 4.457 ( 2.800 4.898 0.000) 5.642 4.500 ( -0.199 2.303 0.000) 2.311 4.746 ( 1.734 8.418 0.000) 8.595 4.840 ( -6.290 3.833 0.000) 7.366 5.062 ( 3.247 9.409 0.000) 9.954 5.165 ( -5.766 1.609 0.000) 5.986 5.334 ( 10.313 7.485 0.000) 12.743 5.523 ( -4.532 8.656 0.000) 9.771 5.645 ( 5.921 -0.345 0.000) 5.931 5.663 ( 2.443 -3.793 0.000) 4.511 5.971 ( -4.203 1.106 0.000) 4.347 6.000 ( -8.153 -4.111 0.000) 9.131 6.307 ( 4.825 4.100 0.000) 6.331 6.461 ( -6.053 -1.783 0.000) 6.310 6.722 ( 5.128 8.607 0.000) 10.018 6.895 ( -8.680 8.078 0.000) 11.858 7.292 ( 11.318 14.278 0.000) 18.220 7.387 ( 6.622 -13.478 0.000) 15.017 7.504 ( -2.148 -11.802 0.000) 11.996 7.574 ( -12.150 20.275 0.000) 23.636 7.904 ( 4.092 -1.273 0.000) 4.285 7.911 ( 4.029 -7.587 0.000) 8.591 8.067 ( 3.791 1.976 0.000) 4.275 8.097 ( 1.630 -4.818 0.000) 5.087 8.460 ( 1.772 8.275 0.000) 8.463 8.461 ( -1.155 16.890 0.000) 16.929 8.520 ( 3.536 6.663 0.000) 7.543 8.624 ( -0.557 2.854 0.000) 2.908 8.712 ( -1.739 15.655 0.000) 15.751 8.725 ( -5.067 18.044 0.000) 18.742 8.915 ( -0.492 11.821 0.000) 11.832 8.937 ( -2.013 13.754 0.000) 13.901 9.538 ( 5.230 17.710 0.000) 18.466 9.611 ( 1.095 12.841 0.000) 12.887 9.615 ( -0.665 1.563 0.000) 1.698 9.658 ( -3.867 25.798 0.000) 26.086 9.766 ( 3.507 14.453 0.000) 14.872 9.854 ( -3.813 19.046 0.000) 19.424 10.059 ( 1.380 4.094 0.000) 4.320 10.088 ( -1.870 -4.053 0.000) 4.463 10.480 ( 9.233 8.333 0.000) 12.438 10.712 ( 2.469 5.902 0.000) 6.398 10.758 ( -12.200 5.499 0.000) 13.382 10.932 ( -13.283 -1.936 0.000) 13.423 11.016 ( 9.618 -4.760 0.000) 10.731 11.206 ( -6.942 -5.710 0.000) 8.989 11.525 ( 0.993 -5.937 0.000) 6.020 11.540 ( 0.649 -5.060 0.000) 5.102 11.900 ( 13.155 8.861 0.000) 15.861 12.134 ( -5.093 5.663 0.000) 7.617 12.368 ( 1.796 6.251 0.000) 6.504 12.445 ( 0.414 5.224 0.000) 5.241 12.953 ( 0.023 4.092 0.000) 4.092 12.968 ( -2.739 5.062 0.000) 5.755 13.172 ( 9.208 -2.485 0.000) 9.537 13.252 ( 3.369 3.423 0.000) 4.803 13.431 ( -1.204 -0.360 0.000) 1.257 13.596 ( -10.886 9.118 0.000) 14.200 14.033 ( 15.074 4.772 0.000) 15.812 14.157 ( 4.020 -0.565 0.000) 4.059 14.342 ( 2.794 0.194 0.000) 2.801 14.465 ( 1.640 -5.465 0.000) 5.706 14.476 ( -15.281 5.682 0.000) 16.303 14.775 ( -19.361 3.979 0.000) 19.765 15.491 ( 9.634 2.843 0.000) 10.045 15.710 ( -9.522 5.195 0.000) 10.847 16.103 ( 6.973 1.093 0.000) 7.058 16.236 ( -3.707 3.679 0.000) 5.223 16.678 ( 7.166 4.288 0.000) 8.351 16.810 ( -3.155 7.664 0.000) 8.288 17.428 ( 0.459 -3.984 0.000) 4.010 17.438 ( -0.251 -3.905 0.000) 3.913 17.519 ( 0.559 -3.631 0.000) 3.674 17.544 ( -1.615 -1.179 0.000) 2.000 17.763 ( 6.610 -9.132 0.000) 11.273 17.898 ( -5.415 -10.535 0.000) 11.845 18.157 ( 1.446 -7.548 0.000) 7.686 18.186 ( -1.099 -5.620 0.000) 5.726 18.362 ( 4.094 -10.050 0.000) 10.852 18.440 ( -2.793 -9.744 0.000) 10.136 ======================= Grid point 35 (22/81) ======================= q-point: ( 0.00 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( 0.000 11.436 0.000) 11.436 4.279 ( 0.000 4.770 0.000) 4.770 4.401 ( 0.000 8.095 0.000) 8.095 4.558 ( 0.000 -0.664 0.000) 0.664 4.652 ( 0.000 5.793 0.000) 5.793 4.735 ( 0.000 10.214 0.000) 10.214 4.867 ( 0.000 1.837 0.000) 1.837 5.004 ( 0.000 13.439 0.000) 13.439 5.054 ( 0.000 -7.507 0.000) 7.507 5.244 ( 0.000 12.326 0.000) 12.326 5.399 ( 0.000 2.638 0.000) 2.638 5.408 ( 0.000 1.580 0.000) 1.580 5.611 ( 0.000 -5.225 0.000) 5.225 5.758 ( 0.000 5.481 0.000) 5.481 5.983 ( 0.000 -8.716 0.000) 8.716 6.135 ( 0.000 6.516 0.000) 6.516 6.446 ( 0.000 2.075 0.000) 2.075 6.578 ( 0.000 -3.948 0.000) 3.948 6.673 ( 0.000 -6.520 0.000) 6.520 6.966 ( 0.000 -6.443 0.000) 6.443 7.064 ( 0.000 -2.674 0.000) 2.674 7.200 ( 0.000 -6.434 0.000) 6.434 7.303 ( 0.000 -11.447 0.000) 11.447 7.324 ( 0.000 -1.834 0.000) 1.834 7.816 ( 0.000 6.348 0.000) 6.348 7.911 ( 0.000 0.294 0.000) 0.294 8.135 ( 0.000 4.723 0.000) 4.723 8.172 ( 0.000 7.531 0.000) 7.531 8.479 ( 0.000 12.370 0.000) 12.370 8.734 ( 0.000 5.936 0.000) 5.936 8.793 ( 0.000 9.096 0.000) 9.096 8.795 ( 0.000 8.738 0.000) 8.738 9.010 ( 0.000 13.545 0.000) 13.545 9.117 ( 0.000 15.443 0.000) 15.443 9.188 ( 0.000 3.096 0.000) 3.096 9.301 ( 0.000 12.488 0.000) 12.488 9.537 ( 0.000 -0.687 0.000) 0.687 9.642 ( 0.000 7.757 0.000) 7.757 9.815 ( 0.000 2.153 0.000) 2.153 9.925 ( 0.000 -6.755 0.000) 6.755 9.932 ( 0.000 16.245 0.000) 16.245 10.114 ( 0.000 11.924 0.000) 11.924 10.271 ( 0.000 11.052 0.000) 11.052 10.274 ( 0.000 6.710 0.000) 6.710 10.586 ( 0.000 6.962 0.000) 6.962 10.641 ( 0.000 9.528 0.000) 9.528 10.822 ( 0.000 3.794 0.000) 3.794 11.148 ( 0.000 -7.484 0.000) 7.484 11.220 ( 0.000 -9.402 0.000) 9.402 11.353 ( 0.000 -7.274 0.000) 7.274 11.517 ( 0.000 6.751 0.000) 6.751 11.520 ( 0.000 0.966 0.000) 0.966 11.693 ( 0.000 7.310 0.000) 7.310 11.963 ( 0.000 -2.577 0.000) 2.577 12.217 ( 0.000 9.415 0.000) 9.415 12.645 ( 0.000 2.682 0.000) 2.682 12.771 ( 0.000 -2.911 0.000) 2.911 12.979 ( 0.000 -4.287 0.000) 4.287 13.070 ( 0.000 8.869 0.000) 8.869 13.204 ( 0.000 4.470 0.000) 4.470 13.608 ( 0.000 -2.012 0.000) 2.012 13.896 ( 0.000 4.976 0.000) 4.976 14.024 ( 0.000 11.366 0.000) 11.366 14.061 ( 0.000 -1.012 0.000) 1.012 14.313 ( 0.000 -23.152 0.000) 23.152 14.354 ( 0.000 5.868 0.000) 5.868 15.148 ( 0.000 7.155 0.000) 7.155 15.148 ( 0.000 8.161 0.000) 8.161 15.628 ( 0.000 -5.719 0.000) 5.719 15.742 ( 0.000 -2.213 0.000) 2.213 16.108 ( 0.000 7.250 0.000) 7.250 16.361 ( 0.000 9.805 0.000) 9.805 16.542 ( 0.000 -0.414 0.000) 0.414 16.949 ( 0.000 10.300 0.000) 10.300 17.195 ( 0.000 -12.477 0.000) 12.477 17.349 ( 0.000 -2.107 0.000) 2.107 17.401 ( 0.000 -5.438 0.000) 5.438 17.557 ( 0.000 -0.401 0.000) 0.401 17.592 ( 0.000 -0.590 0.000) 0.590 17.778 ( 0.000 -14.241 0.000) 14.241 17.958 ( 0.000 -4.636 0.000) 4.636 18.052 ( 0.000 -7.523 0.000) 7.523 18.159 ( 0.000 -1.396 0.000) 1.396 18.328 ( 0.000 -7.144 0.000) 7.144 ======================= Grid point 36 (23/81) ======================= q-point: ( 0.20 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.145 ( 3.887 11.059 0.000) 11.722 4.330 ( 4.281 4.081 0.000) 5.914 4.409 ( 0.354 6.868 0.000) 6.877 4.536 ( -1.618 -0.004 0.000) 1.618 4.627 ( -1.882 6.761 0.000) 7.018 4.635 ( -5.294 9.990 0.000) 11.307 4.929 ( 0.341 -0.700 0.000) 0.779 4.939 ( -3.885 5.837 0.000) 7.012 5.117 ( 3.478 -1.894 0.000) 3.961 5.249 ( 1.775 12.270 0.000) 12.398 5.334 ( -0.337 6.164 0.000) 6.173 5.544 ( 6.816 1.653 0.000) 7.014 5.556 ( -3.655 -4.958 0.000) 6.160 5.798 ( 2.510 7.437 0.000) 7.849 5.963 ( -1.943 -9.744 0.000) 9.935 6.096 ( -3.779 3.895 0.000) 5.427 6.409 ( -2.190 5.773 0.000) 6.175 6.508 ( -4.069 -1.583 0.000) 4.366 6.723 ( 3.380 -3.917 0.000) 5.173 7.038 ( 3.366 -9.609 0.000) 10.182 7.058 ( 1.283 -5.024 0.000) 5.185 7.133 ( -2.768 -2.719 0.000) 3.880 7.353 ( 1.717 -5.374 0.000) 5.642 7.446 ( 9.137 -13.951 0.000) 16.677 7.860 ( 3.520 5.930 0.000) 6.896 7.971 ( 5.000 1.174 0.000) 5.136 8.096 ( -4.136 8.421 0.000) 9.382 8.185 ( 0.656 7.367 0.000) 7.396 8.474 ( 1.017 9.469 0.000) 9.523 8.714 ( -1.249 6.870 0.000) 6.983 8.761 ( -2.539 7.924 0.000) 8.321 8.788 ( -1.075 8.788 0.000) 8.854 9.021 ( 0.790 13.387 0.000) 13.410 9.104 ( -1.036 15.003 0.000) 15.039 9.162 ( -2.285 3.263 0.000) 3.984 9.231 ( -5.883 11.542 0.000) 12.955 9.557 ( 2.431 0.683 0.000) 2.526 9.651 ( 1.065 7.101 0.000) 7.181 9.830 ( 0.925 1.813 0.000) 2.036 9.923 ( 0.044 -0.495 0.000) 0.497 9.995 ( 3.960 9.902 0.000) 10.665 10.117 ( -0.402 12.997 0.000) 13.004 10.222 ( -2.871 9.011 0.000) 9.457 10.263 ( -0.169 11.193 0.000) 11.194 10.596 ( 2.386 12.630 0.000) 12.853 10.758 ( 7.692 1.653 0.000) 7.867 10.804 ( -1.361 3.717 0.000) 3.959 11.099 ( -8.932 -6.618 0.000) 11.117 11.099 ( -5.820 -8.424 0.000) 10.239 11.292 ( -10.325 8.629 0.000) 13.456 11.380 ( 1.636 -7.868 0.000) 8.036 11.490 ( -4.197 -0.037 0.000) 4.197 11.808 ( 9.547 7.991 0.000) 12.450 12.241 ( 17.747 -3.549 0.000) 18.098 12.249 ( 2.447 9.326 0.000) 9.642 12.563 ( -4.950 3.938 0.000) 6.325 12.897 ( 8.782 -3.547 0.000) 9.472 12.999 ( 1.456 -3.444 0.000) 3.739 13.054 ( -1.559 9.122 0.000) 9.254 13.251 ( 3.400 4.254 0.000) 5.446 13.528 ( -6.184 -1.517 0.000) 6.367 13.911 ( 2.527 1.804 0.000) 3.105 13.958 ( -6.002 9.508 0.000) 11.244 14.159 ( 7.779 -1.709 0.000) 7.964 14.264 ( -7.680 3.329 0.000) 8.370 14.270 ( -2.261 -17.303 0.000) 17.451 14.899 ( -12.956 6.354 0.000) 14.430 15.276 ( -21.389 -2.190 0.000) 21.501 15.366 ( 10.174 7.504 0.000) 12.642 15.917 ( 7.516 -4.357 0.000) 8.687 16.032 ( -6.503 7.540 0.000) 9.956 16.361 ( -2.248 2.012 0.000) 3.017 16.601 ( 6.519 5.510 0.000) 8.536 16.989 ( 1.996 9.788 0.000) 9.990 17.243 ( 3.848 -11.214 0.000) 11.856 17.346 ( 0.098 -2.388 0.000) 2.390 17.422 ( 1.757 -3.904 0.000) 4.281 17.567 ( 0.645 -1.381 0.000) 1.525 17.581 ( -0.711 -0.462 0.000) 0.848 17.753 ( -2.218 -13.235 0.000) 13.420 17.983 ( 2.140 -4.697 0.000) 5.162 18.095 ( 3.593 -7.577 0.000) 8.385 18.144 ( -1.329 -1.714 0.000) 2.169 18.315 ( -1.217 -7.262 0.000) 7.363 ======================= Grid point 37 (24/81) ======================= q-point: ( 0.40 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.253 ( 5.496 9.337 0.000) 10.834 4.368 ( -4.377 5.992 0.000) 7.420 4.442 ( 5.156 3.189 0.000) 6.062 4.526 ( -0.939 0.561 0.000) 1.094 4.551 ( -0.722 11.295 0.000) 11.318 4.586 ( -1.766 7.619 0.000) 7.821 4.860 ( -2.510 2.309 0.000) 3.411 4.870 ( -3.300 -0.236 0.000) 3.308 5.179 ( 2.129 1.568 0.000) 2.644 5.224 ( -2.239 6.740 0.000) 7.102 5.473 ( 7.641 3.144 0.000) 8.263 5.517 ( 0.423 -6.126 0.000) 6.140 5.648 ( 3.256 3.730 0.000) 4.951 5.780 ( -5.631 11.257 0.000) 12.587 5.939 ( 1.066 -2.138 0.000) 2.389 5.998 ( -3.824 1.525 0.000) 4.117 6.394 ( 1.087 5.280 0.000) 5.391 6.438 ( -2.477 0.073 0.000) 2.478 6.816 ( 5.257 0.485 0.000) 5.279 6.952 ( -6.671 -1.590 0.000) 6.858 7.120 ( 3.539 -10.750 0.000) 11.317 7.172 ( 0.172 -13.057 0.000) 13.058 7.439 ( 7.183 -6.242 0.000) 9.517 7.566 ( -0.678 -14.990 0.000) 15.006 7.933 ( 2.340 6.500 0.000) 6.909 7.983 ( -3.965 12.495 0.000) 13.109 8.094 ( 5.272 2.780 0.000) 5.960 8.176 ( -1.957 5.339 0.000) 5.686 8.553 ( 5.618 5.264 0.000) 7.699 8.679 ( -4.970 5.431 0.000) 7.362 8.711 ( 1.161 8.594 0.000) 8.672 8.752 ( -2.101 8.967 0.000) 9.209 9.038 ( 0.924 14.450 0.000) 14.480 9.074 ( -1.864 14.821 0.000) 14.938 9.106 ( -2.069 5.040 0.000) 5.448 9.108 ( -3.317 9.158 0.000) 9.740 9.629 ( 3.380 2.685 0.000) 4.317 9.672 ( -0.084 5.150 0.000) 5.151 9.859 ( 2.275 0.052 0.000) 2.276 9.916 ( -1.650 -2.373 0.000) 2.890 10.037 ( 0.898 14.210 0.000) 14.238 10.081 ( -2.479 14.812 0.000) 15.018 10.226 ( 2.656 11.257 0.000) 11.566 10.266 ( -0.373 10.939 0.000) 10.945 10.693 ( 6.524 10.873 0.000) 12.680 10.791 ( 1.121 2.521 0.000) 2.759 10.881 ( -4.779 -2.945 0.000) 5.614 10.887 ( -10.699 4.027 0.000) 11.432 10.955 ( 5.335 0.170 0.000) 5.337 11.123 ( -7.403 0.140 0.000) 7.404 11.411 ( 0.947 -7.899 0.000) 7.956 11.425 ( -1.071 -4.189 0.000) 4.324 12.063 ( 12.223 8.307 0.000) 14.778 12.265 ( -3.928 8.205 0.000) 9.097 12.490 ( 0.476 5.992 0.000) 6.011 12.515 ( 3.731 0.467 0.000) 3.760 13.007 ( 0.379 -1.233 0.000) 1.290 13.014 ( -1.109 4.164 0.000) 4.309 13.130 ( 10.552 -2.544 0.000) 10.855 13.324 ( -3.109 2.984 0.000) 4.309 13.432 ( 6.147 1.553 0.000) 6.340 13.738 ( -14.514 6.268 0.000) 15.809 14.006 ( 3.885 -10.937 0.000) 11.606 14.090 ( -5.898 -5.259 0.000) 7.902 14.276 ( 8.361 0.440 0.000) 8.372 14.425 ( 13.884 -1.080 0.000) 13.926 14.578 ( -15.859 4.992 0.000) 16.626 14.799 ( -20.236 -1.154 0.000) 20.269 15.603 ( 11.228 7.970 0.000) 13.769 15.844 ( -10.207 7.816 0.000) 12.856 16.079 ( 7.684 -3.916 0.000) 8.625 16.248 ( -7.160 -2.690 0.000) 7.649 16.794 ( 9.381 7.608 0.000) 12.078 16.962 ( -4.991 8.075 0.000) 9.493 17.330 ( 3.149 -7.100 0.000) 7.767 17.359 ( 0.356 -3.059 0.000) 3.080 17.474 ( 2.948 -1.288 0.000) 3.217 17.538 ( -2.461 -0.123 0.000) 2.465 17.611 ( 2.725 -5.702 0.000) 6.320 17.686 ( -3.667 -10.734 0.000) 11.344 18.041 ( 2.905 -3.889 0.000) 4.854 18.102 ( -2.439 -2.638 0.000) 3.592 18.188 ( 4.346 -7.613 0.000) 8.766 18.270 ( -2.951 -7.474 0.000) 8.036 ======================= Grid point 40 (25/81) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.276 ( 0.000 6.162 0.000) 6.162 4.333 ( 0.000 0.286 0.000) 0.286 4.501 ( 0.000 3.022 0.000) 3.022 4.540 ( 0.000 -1.236 0.000) 1.236 4.759 ( 0.000 5.829 0.000) 5.829 4.873 ( 0.000 3.657 0.000) 3.657 4.896 ( 0.000 0.705 0.000) 0.705 4.896 ( 0.000 -7.999 0.000) 7.999 5.264 ( 0.000 12.317 0.000) 12.317 5.414 ( 0.000 2.674 0.000) 2.674 5.431 ( 0.000 0.525 0.000) 0.525 5.473 ( 0.000 -8.873 0.000) 8.873 5.523 ( 0.000 11.908 0.000) 11.908 5.770 ( 0.000 -12.286 0.000) 12.286 5.896 ( 0.000 8.242 0.000) 8.242 6.067 ( 0.000 -8.443 0.000) 8.443 6.539 ( 0.000 -0.118 0.000) 0.118 6.572 ( 0.000 -3.502 0.000) 3.502 6.630 ( 0.000 11.765 0.000) 11.765 6.822 ( 0.000 -7.960 0.000) 7.960 7.041 ( 0.000 1.126 0.000) 1.126 7.120 ( 0.000 -6.879 0.000) 6.879 7.125 ( 0.000 -0.218 0.000) 0.218 7.204 ( 0.000 -7.315 0.000) 7.315 7.923 ( 0.000 3.866 0.000) 3.866 7.950 ( 0.000 1.202 0.000) 1.202 8.205 ( 0.000 2.917 0.000) 2.917 8.241 ( 0.000 -0.022 0.000) 0.022 8.700 ( 0.000 8.754 0.000) 8.754 8.795 ( 0.000 -0.628 0.000) 0.628 8.923 ( 0.000 3.694 0.000) 3.694 8.924 ( 0.000 3.637 0.000) 3.637 9.197 ( 0.000 4.964 0.000) 4.964 9.222 ( 0.000 1.145 0.000) 1.145 9.356 ( 0.000 8.891 0.000) 8.891 9.461 ( 0.000 0.009 0.000) 0.009 9.543 ( 0.000 5.278 0.000) 5.278 9.707 ( 0.000 -10.066 0.000) 10.066 9.788 ( 0.000 5.142 0.000) 5.142 9.833 ( 0.000 -0.155 0.000) 0.155 10.225 ( 0.000 9.303 0.000) 9.303 10.284 ( 0.000 6.602 0.000) 6.602 10.319 ( 0.000 -1.061 0.000) 1.061 10.374 ( 0.000 -0.974 0.000) 0.974 10.758 ( 0.000 7.014 0.000) 7.014 10.782 ( 0.000 3.709 0.000) 3.709 10.873 ( 0.000 3.773 0.000) 3.773 10.991 ( 0.000 -7.597 0.000) 7.597 11.097 ( 0.000 -1.157 0.000) 1.157 11.191 ( 0.000 -8.349 0.000) 8.349 11.588 ( 0.000 3.908 0.000) 3.908 11.615 ( 0.000 1.927 0.000) 1.927 11.819 ( 0.000 5.438 0.000) 5.438 11.905 ( 0.000 -3.429 0.000) 3.429 12.420 ( 0.000 10.994 0.000) 10.994 12.631 ( 0.000 -9.896 0.000) 9.896 12.747 ( 0.000 6.951 0.000) 6.951 12.883 ( 0.000 -6.119 0.000) 6.119 13.253 ( 0.000 6.934 0.000) 6.934 13.276 ( 0.000 2.705 0.000) 2.705 13.606 ( 0.000 4.672 0.000) 4.672 13.857 ( 0.000 -18.580 0.000) 18.580 13.984 ( 0.000 3.997 0.000) 3.997 14.053 ( 0.000 -3.321 0.000) 3.321 14.229 ( 0.000 9.218 0.000) 9.218 14.366 ( 0.000 -3.977 0.000) 3.977 15.285 ( 0.000 5.290 0.000) 5.290 15.296 ( 0.000 5.723 0.000) 5.723 15.547 ( 0.000 -1.023 0.000) 1.023 15.636 ( 0.000 -7.436 0.000) 7.436 16.240 ( 0.000 6.264 0.000) 6.264 16.356 ( 0.000 -5.244 0.000) 5.244 16.706 ( 0.000 12.331 0.000) 12.331 16.951 ( 0.000 -12.426 0.000) 12.426 17.152 ( 0.000 9.859 0.000) 9.859 17.300 ( 0.000 -5.371 0.000) 5.371 17.358 ( 0.000 3.463 0.000) 3.463 17.513 ( 0.000 -11.917 0.000) 11.917 17.559 ( 0.000 0.531 0.000) 0.531 17.575 ( 0.000 -0.984 0.000) 0.984 17.907 ( 0.000 -0.440 0.000) 0.440 17.940 ( 0.000 -3.762 0.000) 3.762 18.158 ( 0.000 1.393 0.000) 1.393 18.215 ( 0.000 -4.339 0.000) 4.339 ======================= Grid point 41 (26/81) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( 3.274 5.981 0.000) 6.819 4.373 ( 3.430 -0.048 0.000) 3.431 4.494 ( -0.688 2.664 0.000) 2.752 4.528 ( -0.780 -0.932 0.000) 1.215 4.749 ( -0.848 6.171 0.000) 6.229 4.801 ( -3.874 6.499 0.000) 7.566 4.880 ( -1.592 -6.904 0.000) 7.085 4.892 ( -2.071 -3.072 0.000) 3.705 5.242 ( -0.985 9.838 0.000) 9.887 5.424 ( -3.302 -8.247 0.000) 8.883 5.434 ( 2.321 3.874 0.000) 4.516 5.440 ( -3.324 4.557 0.000) 5.641 5.599 ( 7.791 5.739 0.000) 9.676 5.768 ( 1.643 -9.864 0.000) 10.000 5.946 ( 3.340 7.308 0.000) 8.035 6.070 ( -0.602 -4.808 0.000) 4.846 6.512 ( -1.647 2.485 0.000) 2.981 6.600 ( -2.535 11.495 0.000) 11.771 6.606 ( 2.817 -6.581 0.000) 7.158 6.822 ( -0.569 -11.202 0.000) 11.217 7.055 ( 1.630 4.303 0.000) 4.601 7.107 ( -1.060 1.592 0.000) 1.912 7.203 ( 5.402 -10.302 0.000) 11.633 7.207 ( 0.717 -7.805 0.000) 7.838 7.970 ( 3.927 4.309 0.000) 5.830 8.007 ( 4.773 0.653 0.000) 4.817 8.204 ( -0.510 3.766 0.000) 3.801 8.249 ( 0.273 -0.321 0.000) 0.421 8.675 ( -1.355 8.957 0.000) 9.059 8.780 ( -0.953 -1.028 0.000) 1.401 8.879 ( -3.572 3.855 0.000) 5.256 8.898 ( -2.399 2.205 0.000) 3.259 9.200 ( 0.355 4.184 0.000) 4.199 9.210 ( -0.689 2.353 0.000) 2.452 9.339 ( -1.752 8.106 0.000) 8.293 9.391 ( -5.336 3.435 0.000) 6.346 9.587 ( 3.870 4.182 0.000) 5.698 9.741 ( 2.759 -9.957 0.000) 10.332 9.785 ( -0.126 4.881 0.000) 4.883 9.836 ( -0.006 -0.849 0.000) 0.849 10.244 ( 1.075 8.203 0.000) 8.273 10.298 ( 0.496 6.500 0.000) 6.519 10.317 ( 0.263 0.632 0.000) 0.685 10.375 ( 0.068 -0.185 0.000) 0.197 10.781 ( 1.582 5.003 0.000) 5.248 10.810 ( 2.443 1.531 0.000) 2.883 10.854 ( -1.345 3.084 0.000) 3.364 10.948 ( -3.248 -6.405 0.000) 7.181 11.050 ( -2.801 3.672 0.000) 4.618 11.204 ( 0.897 -9.534 0.000) 9.576 11.444 ( -9.673 5.953 0.000) 11.358 11.506 ( -7.359 -0.283 0.000) 7.365 11.967 ( 11.338 8.302 0.000) 14.053 12.125 ( 15.009 -7.484 0.000) 16.772 12.454 ( 2.309 10.733 0.000) 10.978 12.610 ( -1.867 -2.355 0.000) 3.005 12.824 ( 6.663 -0.328 0.000) 6.671 12.906 ( 2.251 -5.789 0.000) 6.211 13.281 ( 1.011 11.337 0.000) 11.382 13.333 ( 4.616 3.494 0.000) 5.789 13.505 ( -7.358 1.466 0.000) 7.503 13.731 ( -7.032 -17.279 0.000) 18.654 14.100 ( 8.016 1.365 0.000) 8.132 14.133 ( -8.619 7.998 0.000) 11.758 14.146 ( 7.994 -2.423 0.000) 8.353 14.255 ( -9.799 -3.887 0.000) 10.542 15.033 ( -14.981 7.111 0.000) 16.584 15.169 ( -17.248 -6.521 0.000) 18.439 15.571 ( 7.834 11.079 0.000) 13.568 15.777 ( 7.450 -9.395 0.000) 11.990 16.174 ( -5.820 6.858 0.000) 8.995 16.300 ( -4.978 -5.732 0.000) 7.591 16.789 ( 6.845 11.334 0.000) 13.241 17.016 ( 5.505 -11.661 0.000) 12.895 17.187 ( 1.195 9.897 0.000) 9.969 17.316 ( 0.018 -2.416 0.000) 2.416 17.375 ( 2.835 0.569 0.000) 2.891 17.501 ( -0.732 -11.484 0.000) 11.507 17.556 ( -0.317 0.207 0.000) 0.379 17.568 ( -0.684 -0.803 0.000) 1.054 17.938 ( 2.627 -0.011 0.000) 2.627 17.979 ( 3.268 -4.120 0.000) 5.259 18.141 ( -1.607 1.409 0.000) 2.137 18.199 ( -1.448 -4.503 0.000) 4.730 ======================= Grid point 42 (27/81) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.399 ( 3.790 5.385 0.000) 6.585 4.462 ( 3.944 -1.031 0.000) 4.076 4.464 ( -2.107 3.774 0.000) 4.323 4.516 ( -0.834 -1.528 0.000) 1.741 4.726 ( -0.937 6.417 0.000) 6.485 4.732 ( -1.909 7.133 0.000) 7.384 4.833 ( -1.883 -4.156 0.000) 4.563 4.835 ( -2.101 -3.415 0.000) 4.009 5.256 ( 2.386 5.830 0.000) 6.299 5.337 ( -4.680 5.125 0.000) 6.940 5.385 ( 0.483 -6.944 0.000) 6.961 5.433 ( -2.724 -4.527 0.000) 5.283 5.789 ( 9.451 7.440 0.000) 12.028 5.894 ( 7.621 -3.261 0.000) 8.289 5.961 ( -4.147 6.116 0.000) 7.389 6.017 ( -3.615 -0.183 0.000) 3.619 6.496 ( 0.543 6.514 0.000) 6.536 6.536 ( -2.812 9.695 0.000) 10.095 6.684 ( 4.039 -11.241 0.000) 11.944 6.774 ( -3.709 -13.613 0.000) 14.109 7.090 ( 1.018 6.290 0.000) 6.371 7.097 ( 0.036 4.343 0.000) 4.343 7.251 ( 2.913 -10.171 0.000) 10.580 7.284 ( 1.007 -12.676 0.000) 12.716 8.070 ( 4.614 5.598 0.000) 7.255 8.129 ( 5.516 -0.297 0.000) 5.524 8.161 ( -3.419 5.861 0.000) 6.786 8.225 ( -2.850 -0.569 0.000) 2.907 8.686 ( 2.754 7.034 0.000) 7.554 8.779 ( -5.048 4.525 0.000) 6.780 8.781 ( 1.379 -1.556 0.000) 2.079 8.833 ( -3.050 -0.197 0.000) 3.056 9.205 ( 1.151 4.904 0.000) 5.037 9.228 ( 1.916 4.102 0.000) 4.528 9.269 ( -4.470 6.400 0.000) 7.807 9.286 ( -3.199 5.332 0.000) 6.218 9.691 ( 4.835 4.085 0.000) 6.329 9.770 ( -1.949 3.955 0.000) 4.409 9.805 ( 2.323 -6.841 0.000) 7.224 9.831 ( -0.386 -2.456 0.000) 2.486 10.257 ( 0.648 7.640 0.000) 7.668 10.284 ( -1.487 7.064 0.000) 7.218 10.341 ( 1.489 -0.054 0.000) 1.490 10.369 ( -0.848 -0.608 0.000) 1.043 10.817 ( 1.683 2.556 0.000) 3.061 10.834 ( -0.260 2.217 0.000) 2.232 10.849 ( 0.311 -0.748 0.000) 0.810 10.878 ( -2.742 -2.203 0.000) 3.517 11.058 ( 4.805 8.957 0.000) 10.164 11.227 ( -9.501 7.112 0.000) 11.867 11.241 ( 2.880 -9.179 0.000) 9.620 11.344 ( -6.510 -4.649 0.000) 8.000 12.244 ( 12.338 10.049 0.000) 15.913 12.433 ( 10.820 -8.100 0.000) 13.516 12.447 ( -4.963 9.368 0.000) 10.602 12.564 ( -2.263 -0.596 0.000) 2.340 12.972 ( 6.210 0.243 0.000) 6.214 13.047 ( 11.249 -5.588 0.000) 12.561 13.158 ( -9.909 9.546 0.000) 13.759 13.312 ( -11.432 -4.566 0.000) 12.310 13.524 ( 13.003 7.399 0.000) 14.961 13.729 ( 7.845 -13.713 0.000) 15.798 13.862 ( -15.542 6.307 0.000) 16.773 13.980 ( -13.462 -5.732 0.000) 14.631 14.331 ( 13.245 3.304 0.000) 13.651 14.389 ( 13.852 -2.517 0.000) 14.079 14.671 ( -16.944 4.393 0.000) 17.504 14.749 ( -18.795 -3.500 0.000) 19.118 15.779 ( 10.297 9.379 0.000) 13.928 15.955 ( 8.778 -8.171 0.000) 11.992 16.001 ( -9.466 7.979 0.000) 12.380 16.149 ( -8.331 -6.773 0.000) 10.737 16.967 ( 8.514 9.692 0.000) 12.901 17.131 ( -5.804 8.980 0.000) 10.692 17.161 ( 6.880 -9.669 0.000) 11.867 17.285 ( -3.677 -5.595 0.000) 6.695 17.461 ( 4.129 0.113 0.000) 4.130 17.509 ( 1.568 -5.944 0.000) 6.147 17.533 ( -2.203 -0.111 0.000) 2.205 17.545 ( -1.314 -1.519 0.000) 2.009 18.011 ( 3.732 0.772 0.000) 3.811 18.066 ( 4.211 -4.653 0.000) 6.276 18.088 ( -3.081 1.286 0.000) 3.338 18.149 ( -3.112 -4.748 0.000) 5.677 ======================= Grid point 85 (28/81) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 0.000 39.843) 39.843 0.777 ( 0.000 0.000 40.628) 40.628 1.388 ( 0.000 0.000 72.242) 72.242 2.661 ( 0.000 0.000 -18.937) 18.937 2.873 ( 0.000 0.000 -29.565) 29.565 3.277 ( 0.000 0.000 -3.322) 3.322 3.619 ( 0.000 0.000 -6.343) 6.343 3.746 ( 0.000 0.000 10.527) 10.527 3.776 ( 0.000 0.000 11.299) 11.299 3.909 ( 0.000 0.000 22.669) 22.669 3.948 ( 0.000 0.000 1.353) 1.353 4.180 ( 0.000 0.000 -8.038) 8.038 4.432 ( 0.000 0.000 2.316) 2.316 4.525 ( 0.000 0.000 -0.209) 0.209 4.596 ( 0.000 0.000 -17.702) 17.702 4.773 ( 0.000 0.000 1.653) 1.653 4.793 ( 0.000 0.000 -5.619) 5.619 5.003 ( 0.000 0.000 -3.363) 3.363 5.132 ( 0.000 0.000 1.531) 1.531 5.153 ( 0.000 0.000 -18.151) 18.151 5.213 ( 0.000 0.000 -10.611) 10.611 5.226 ( 0.000 0.000 -0.928) 0.928 5.631 ( 0.000 0.000 -19.402) 19.402 6.093 ( 0.000 0.000 14.390) 14.390 6.729 ( 0.000 0.000 8.282) 8.282 7.018 ( 0.000 0.000 16.526) 16.526 7.142 ( 0.000 0.000 6.129) 6.129 7.681 ( 0.000 0.000 -12.025) 12.025 7.869 ( 0.000 0.000 6.782) 6.782 7.896 ( 0.000 0.000 -7.460) 7.460 8.370 ( 0.000 0.000 6.686) 6.686 8.387 ( 0.000 0.000 -2.728) 2.728 8.549 ( 0.000 0.000 2.950) 2.950 8.611 ( 0.000 0.000 -12.811) 12.811 8.910 ( 0.000 0.000 -11.719) 11.719 9.091 ( 0.000 0.000 -2.159) 2.159 9.137 ( 0.000 0.000 9.054) 9.054 9.268 ( 0.000 0.000 -0.286) 0.286 9.284 ( 0.000 0.000 -0.613) 0.613 9.555 ( 0.000 0.000 9.496) 9.496 9.608 ( 0.000 0.000 -0.553) 0.553 9.902 ( 0.000 0.000 -3.616) 3.616 10.001 ( 0.000 0.000 -0.193) 0.193 10.003 ( 0.000 0.000 -0.367) 0.367 10.090 ( 0.000 0.000 1.631) 1.631 10.235 ( 0.000 0.000 -2.137) 2.137 10.342 ( 0.000 0.000 8.410) 8.410 10.598 ( 0.000 0.000 2.043) 2.043 10.769 ( 0.000 0.000 -2.417) 2.417 10.886 ( 0.000 0.000 -0.927) 0.927 10.897 ( 0.000 0.000 -0.584) 0.584 11.029 ( 0.000 0.000 -6.894) 6.894 11.425 ( 0.000 0.000 13.280) 13.280 11.438 ( 0.000 0.000 8.711) 8.711 11.481 ( 0.000 0.000 7.161) 7.161 11.825 ( 0.000 0.000 8.527) 8.527 12.312 ( 0.000 0.000 -13.843) 13.843 12.367 ( 0.000 0.000 -2.553) 2.553 12.598 ( 0.000 0.000 2.388) 2.388 12.732 ( 0.000 0.000 -16.340) 16.340 12.761 ( 0.000 0.000 -13.034) 13.034 13.021 ( 0.000 0.000 -5.335) 5.335 13.233 ( 0.000 0.000 10.612) 10.612 13.427 ( 0.000 0.000 10.999) 10.999 13.491 ( 0.000 0.000 7.760) 7.760 13.792 ( 0.000 0.000 -2.479) 2.479 13.983 ( 0.000 0.000 8.388) 8.388 13.991 ( 0.000 0.000 -3.561) 3.561 14.183 ( 0.000 0.000 -10.249) 10.249 14.406 ( 0.000 0.000 -2.040) 2.040 16.078 ( 0.000 0.000 2.950) 2.950 16.382 ( 0.000 0.000 5.802) 5.802 16.469 ( 0.000 0.000 -7.714) 7.714 16.730 ( 0.000 0.000 -2.312) 2.312 17.517 ( 0.000 0.000 3.543) 3.543 17.734 ( 0.000 0.000 -3.269) 3.269 18.323 ( 0.000 0.000 1.806) 1.806 18.497 ( 0.000 0.000 1.181) 1.181 18.506 ( 0.000 0.000 -1.957) 1.957 18.558 ( 0.000 0.000 -0.150) 0.150 18.956 ( 0.000 0.000 5.332) 5.332 19.332 ( 0.000 0.000 -4.146) 4.146 19.668 ( 0.000 0.000 0.196) 0.196 19.681 ( 0.000 0.000 0.208) 0.208 ======================= Grid point 86 (29/81) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 27.110 0.000 26.211) 37.709 1.165 ( 28.974 0.000 26.717) 39.412 2.085 ( 52.251 0.000 46.056) 69.651 2.682 ( -0.634 0.000 -11.166) 11.184 2.963 ( 7.087 0.000 -26.231) 27.172 3.110 ( -11.331 0.000 -7.385) 13.525 3.385 ( -25.509 0.000 6.381) 26.295 3.492 ( -8.787 0.000 -6.078) 10.684 3.836 ( 4.070 0.000 8.609) 9.523 3.983 ( -5.837 0.000 7.340) 9.378 4.005 ( 2.713 0.000 1.413) 3.059 4.139 ( 3.951 0.000 0.535) 3.987 4.418 ( -0.953 0.000 1.177) 1.515 4.478 ( -3.144 0.000 -0.028) 3.144 4.532 ( 2.784 0.000 -2.551) 3.776 4.829 ( 4.381 0.000 2.127) 4.870 4.995 ( 7.777 0.000 0.413) 7.788 5.048 ( 3.146 0.000 -2.915) 4.289 5.114 ( -1.420 0.000 1.663) 2.187 5.219 ( 0.773 0.000 -12.594) 12.618 5.219 ( -0.604 0.000 -1.054) 1.214 5.367 ( 9.806 0.000 -11.423) 15.055 5.545 ( -7.178 0.000 -15.113) 16.731 6.061 ( 1.865 0.000 1.380) 2.320 6.405 ( -17.726 0.000 10.392) 20.547 6.848 ( -14.295 0.000 -7.301) 16.051 7.248 ( 9.050 0.000 12.744) 15.630 7.596 ( -17.613 0.000 -13.364) 22.109 7.771 ( -14.537 0.000 -4.096) 15.103 7.986 ( -6.252 0.000 0.646) 6.286 8.169 ( 8.013 0.000 -6.980) 10.627 8.445 ( 1.605 0.000 -7.128) 7.307 8.644 ( 3.440 0.000 -8.099) 8.800 8.818 ( 9.493 0.000 4.570) 10.536 8.977 ( -5.833 0.000 15.040) 16.132 9.194 ( 4.922 0.000 -3.670) 6.140 9.255 ( 17.001 0.000 -6.785) 18.305 9.301 ( 2.689 0.000 -0.259) 2.701 9.319 ( 2.868 0.000 -0.679) 2.947 9.629 ( 4.417 0.000 1.824) 4.779 9.710 ( 7.178 0.000 -0.038) 7.178 9.812 ( -2.947 0.000 0.519) 2.993 9.969 ( -1.931 0.000 0.119) 1.935 9.975 ( -2.534 0.000 0.008) 2.534 10.152 ( 4.660 0.000 0.566) 4.694 10.242 ( 0.696 0.000 -1.650) 1.791 10.501 ( -9.139 0.000 12.956) 15.855 10.547 ( -4.133 0.000 1.860) 4.532 10.565 ( 12.982 0.000 3.293) 13.393 10.700 ( -5.700 0.000 -2.110) 6.078 10.909 ( -1.439 0.000 -3.268) 3.570 11.025 ( -4.918 0.000 -6.663) 8.282 11.413 ( -2.527 0.000 12.546) 12.798 11.467 ( -3.213 0.000 10.569) 11.047 11.492 ( 4.466 0.000 8.545) 9.642 11.799 ( -2.403 0.000 8.614) 8.943 12.358 ( 3.917 0.000 -14.120) 14.653 12.366 ( 7.514 0.000 -0.699) 7.546 12.692 ( -3.467 0.000 -15.797) 16.173 12.744 ( 11.867 0.000 0.540) 11.879 12.864 ( 4.557 0.000 -10.973) 11.882 13.103 ( -4.095 0.000 -8.708) 9.623 13.261 ( 2.313 0.000 10.400) 10.654 13.415 ( -1.056 0.000 11.095) 11.146 13.503 ( -1.399 0.000 -4.156) 4.385 13.778 ( -12.785 0.000 -1.236) 12.845 13.811 ( 1.705 0.000 -2.772) 3.254 13.973 ( -1.588 0.000 -3.539) 3.879 14.492 ( 19.518 0.000 -2.104) 19.631 14.583 ( 13.802 0.000 -1.798) 13.919 15.924 ( -11.468 0.000 1.502) 11.566 16.078 ( -17.517 0.000 0.459) 17.523 16.681 ( 8.416 0.000 -0.880) 8.461 16.899 ( 7.280 0.000 -7.890) 10.736 17.436 ( -1.521 0.000 2.004) 2.516 17.836 ( 3.854 0.000 -7.588) 8.511 18.221 ( -6.858 0.000 5.799) 8.982 18.383 ( -3.409 0.000 -0.873) 3.519 18.576 ( 2.449 0.000 0.565) 2.513 18.609 ( 2.432 0.000 -0.219) 2.442 18.952 ( -0.044 0.000 6.206) 6.206 19.242 ( -13.212 0.000 13.668) 19.009 19.394 ( -1.050 0.000 2.188) 2.427 19.635 ( -3.343 0.000 -0.352) 3.361 ======================= Grid point 87 (30/81) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 30.472 0.000 14.894) 33.917 1.883 ( 34.685 0.000 15.572) 38.020 2.400 ( -24.178 0.000 8.015) 25.471 2.644 ( -33.382 0.000 10.163) 34.895 3.066 ( 7.108 0.000 -17.361) 18.759 3.247 ( 24.319 0.000 -18.253) 30.407 3.276 ( -10.492 0.000 -11.577) 15.624 3.379 ( 48.836 0.000 17.712) 51.949 3.655 ( -18.598 0.000 -18.033) 25.904 3.932 ( 4.384 0.000 6.715) 8.019 4.011 ( -2.180 0.000 3.725) 4.316 4.395 ( 13.060 0.000 17.630) 21.941 4.405 ( 0.020 0.000 -0.198) 0.199 4.423 ( -1.653 0.000 -0.186) 1.663 4.513 ( -32.310 0.000 12.054) 34.485 4.678 ( -11.016 0.000 20.096) 22.918 4.938 ( 5.073 0.000 2.343) 5.588 5.037 ( -3.698 0.000 1.552) 4.010 5.142 ( 3.105 0.000 -1.654) 3.518 5.196 ( -1.676 0.000 -1.421) 2.198 5.245 ( -2.259 0.000 0.336) 2.284 5.284 ( -5.493 0.000 -4.881) 7.348 5.679 ( 17.959 0.000 -9.037) 20.104 6.106 ( -15.015 0.000 -10.529) 18.338 6.406 ( 23.505 0.000 -23.414) 33.177 6.673 ( 4.120 0.000 -7.628) 8.670 7.072 ( -22.584 0.000 -17.679) 28.681 7.105 ( -21.647 0.000 -12.633) 25.063 7.756 ( 10.403 0.000 3.810) 11.079 7.908 ( -3.621 0.000 1.832) 4.058 8.202 ( 3.265 0.000 11.216) 11.681 8.396 ( -9.466 0.000 -0.809) 9.500 8.715 ( 2.810 0.000 1.308) 3.100 8.782 ( -4.505 0.000 6.767) 8.130 9.095 ( 9.361 0.000 6.099) 11.173 9.220 ( -1.989 0.000 3.370) 3.913 9.365 ( 2.462 0.000 -0.335) 2.485 9.378 ( 1.558 0.000 -0.636) 1.683 9.565 ( 10.280 0.000 2.487) 10.576 9.687 ( -0.234 0.000 4.320) 4.327 9.789 ( 0.531 0.000 -3.965) 4.001 9.798 ( -0.526 0.000 -2.837) 2.885 9.923 ( -1.372 0.000 -0.056) 1.373 9.928 ( -1.575 0.000 -0.098) 1.579 10.254 ( 3.258 0.000 0.030) 3.258 10.271 ( 1.688 0.000 0.120) 1.693 10.469 ( -0.987 0.000 0.464) 1.090 10.530 ( 9.232 0.000 2.832) 9.657 10.552 ( -6.862 0.000 -1.458) 7.015 10.730 ( -4.192 0.000 -1.407) 4.422 10.899 ( 2.274 0.000 -2.828) 3.629 10.939 ( -0.998 0.000 -3.958) 4.082 11.341 ( -0.508 0.000 10.647) 10.659 11.399 ( -3.916 0.000 8.502) 9.361 11.608 ( 5.561 0.000 8.484) 10.144 11.721 ( -4.514 0.000 8.593) 9.706 12.468 ( 5.684 0.000 -14.584) 15.653 12.573 ( 10.049 0.000 -1.591) 10.174 12.592 ( -5.359 0.000 -15.076) 16.000 12.801 ( -9.639 0.000 -5.826) 11.263 13.073 ( 14.248 0.000 -2.266) 14.427 13.134 ( 10.738 0.000 -2.673) 11.065 13.321 ( 2.898 0.000 10.524) 10.916 13.373 ( -9.206 0.000 -2.425) 9.520 13.379 ( -2.227 0.000 10.970) 11.194 13.464 ( -15.215 0.000 -2.020) 15.348 13.862 ( 2.773 0.000 -3.216) 4.247 13.925 ( -2.677 0.000 -3.451) 4.368 14.885 ( 13.523 0.000 -0.922) 13.555 14.900 ( 11.764 0.000 -0.910) 11.799 15.660 ( -9.719 0.000 0.302) 9.724 15.703 ( -13.871 0.000 0.372) 13.876 16.817 ( 4.760 0.000 1.168) 4.901 16.912 ( -3.695 0.000 -0.109) 3.697 17.545 ( 9.398 0.000 -5.150) 10.717 17.763 ( -9.044 0.000 -8.218) 12.220 18.204 ( 4.280 0.000 3.852) 5.758 18.307 ( -4.178 0.000 -0.586) 4.219 18.621 ( 1.591 0.000 0.163) 1.599 18.639 ( 0.191 0.000 -0.321) 0.374 18.970 ( 1.961 0.000 8.410) 8.635 19.045 ( -5.251 0.000 12.101) 13.191 19.445 ( 3.836 0.000 -2.524) 4.592 19.542 ( -4.690 0.000 -1.936) 5.074 ======================= Grid point 90 (31/81) ======================= q-point: ( 0.00 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 25.989 28.465) 38.545 1.162 ( 0.000 28.852 29.921) 41.566 2.034 ( 0.000 56.895 45.601) 72.914 2.914 ( 0.000 23.354 -19.265) 30.275 2.930 ( 0.000 5.997 -28.127) 28.759 3.461 ( 0.000 16.370 -2.269) 16.527 3.774 ( 0.000 6.744 10.588) 12.553 3.826 ( 0.000 17.542 -5.178) 18.291 3.927 ( 0.000 3.922 19.218) 19.614 3.991 ( 0.000 16.308 8.021) 18.174 4.126 ( 0.000 16.030 0.975) 16.060 4.232 ( 0.000 6.990 -6.007) 9.217 4.438 ( 0.000 -0.693 -7.709) 7.740 4.570 ( 0.000 13.305 2.819) 13.600 4.798 ( 0.000 0.588 -3.315) 3.367 4.878 ( 0.000 19.678 -8.879) 21.589 4.994 ( 0.000 19.827 -0.990) 19.851 5.148 ( 0.000 1.009 -18.436) 18.464 5.242 ( 0.000 21.986 -2.859) 22.171 5.242 ( 0.000 5.372 -4.466) 6.986 5.331 ( 0.000 19.461 1.794) 19.544 5.482 ( 0.000 23.072 1.130) 23.100 5.704 ( 0.000 9.254 -25.031) 26.687 6.100 ( 0.000 1.522 14.858) 14.936 6.713 ( 0.000 -0.896 7.347) 7.402 7.041 ( 0.000 2.440 15.413) 15.605 7.114 ( 0.000 -2.154 6.103) 6.472 7.664 ( 0.000 -1.895 -12.257) 12.402 7.858 ( 0.000 -0.785 5.924) 5.976 7.871 ( 0.000 -1.796 -5.500) 5.786 8.195 ( 0.000 -9.543 15.050) 17.821 8.373 ( 0.000 -1.082 -3.296) 3.469 8.526 ( 0.000 -6.584 -12.442) 14.076 8.540 ( 0.000 -0.670 3.995) 4.051 8.826 ( 0.000 -7.098 -13.326) 15.098 9.042 ( 0.000 -8.265 10.590) 13.433 9.045 ( 0.000 -3.434 -1.955) 3.951 9.336 ( 0.000 -1.574 2.998) 3.386 9.408 ( 0.000 7.373 -4.402) 8.587 9.537 ( 0.000 -6.625 -0.454) 6.641 9.680 ( 0.000 16.138 4.141) 16.660 9.908 ( 0.000 3.322 -2.715) 4.290 10.024 ( 0.000 -0.879 3.154) 3.274 10.069 ( 0.000 0.586 2.198) 2.275 10.160 ( 0.000 9.821 2.868) 10.231 10.446 ( 0.000 16.270 -4.994) 17.019 10.446 ( 0.000 11.333 3.599) 11.890 10.623 ( 0.000 3.226 0.436) 3.255 10.792 ( 0.000 1.539 1.725) 2.311 10.819 ( 0.000 -5.071 -1.089) 5.187 10.847 ( 0.000 -4.218 -5.397) 6.850 11.160 ( 0.000 14.119 -6.089) 15.376 11.455 ( 0.000 3.019 9.508) 9.976 11.457 ( 0.000 1.925 4.577) 4.966 11.633 ( 0.000 9.928 10.956) 14.785 11.885 ( 0.000 4.170 8.700) 9.648 12.255 ( 0.000 0.274 -6.774) 6.779 12.484 ( 0.000 -0.681 1.396) 1.553 12.544 ( 0.000 3.709 -3.650) 5.203 12.628 ( 0.000 -3.134 -12.014) 12.416 12.779 ( 0.000 -3.199 -8.687) 9.257 13.216 ( 0.000 10.340 -12.381) 16.131 13.255 ( 0.000 2.551 8.470) 8.845 13.475 ( 0.000 2.837 6.882) 7.444 13.599 ( 0.000 7.174 -0.311) 7.181 13.801 ( 0.000 2.667 -2.837) 3.894 14.043 ( 0.000 5.171 -3.616) 6.310 14.152 ( 0.000 12.793 6.853) 14.513 14.271 ( 0.000 8.562 -9.510) 12.797 14.533 ( 0.000 11.322 -3.161) 11.755 16.098 ( 0.000 1.891 2.719) 3.312 16.369 ( 0.000 -1.163 6.272) 6.379 16.453 ( 0.000 -2.243 -6.700) 7.065 16.856 ( 0.000 6.148 -10.163) 11.878 17.505 ( 0.000 -0.919 1.179) 1.495 17.680 ( 0.000 -5.260 -3.043) 6.077 18.289 ( 0.000 -3.806 2.166) 4.379 18.455 ( 0.000 -5.206 -0.805) 5.268 18.504 ( 0.000 -5.218 -0.490) 5.241 18.533 ( 0.000 2.268 -4.905) 5.404 18.918 ( 0.000 -3.738 5.053) 6.286 19.264 ( 0.000 -7.939 -1.210) 8.031 19.392 ( 0.000 -16.086 13.275) 20.856 19.601 ( 0.000 -6.583 -0.421) 6.596 ======================= Grid point 91 (32/81) ======================= q-point: ( 0.20 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 23.929 21.900 19.673) 37.937 1.575 ( 27.400 28.571 19.298) 44.040 2.461 ( 37.468 39.393 38.300) 66.503 2.939 ( -0.035 23.879 -12.023) 26.735 3.011 ( 6.071 5.588 -24.094) 25.468 3.338 ( -8.647 20.215 -7.231) 23.145 3.432 ( -23.983 5.538 6.054) 25.347 3.708 ( -8.414 20.352 -6.058) 22.841 3.956 ( -5.061 6.683 0.828) 8.424 4.044 ( 6.750 7.108 16.563) 19.246 4.156 ( -4.499 9.546 -4.139) 11.336 4.202 ( 4.758 15.305 2.345) 16.198 4.448 ( 3.193 1.304 2.824) 4.458 4.574 ( 1.153 13.866 2.206) 14.088 4.738 ( -3.032 15.445 -2.425) 15.925 4.984 ( 4.895 6.355 0.286) 8.026 5.103 ( 5.364 21.394 0.032) 22.056 5.196 ( 2.441 3.892 -10.258) 11.240 5.291 ( -0.177 18.511 -0.643) 18.523 5.344 ( 1.674 19.032 0.658) 19.117 5.370 ( 8.508 4.403 -10.286) 14.056 5.465 ( 0.496 18.449 -0.045) 18.456 5.634 ( -7.136 12.404 -16.027) 21.486 6.081 ( 2.271 2.547 -1.326) 3.661 6.396 ( -18.216 -0.383 11.064) 21.317 6.839 ( -14.320 -0.734 -7.062) 15.983 7.247 ( 7.609 0.185 10.286) 12.796 7.567 ( -16.589 -2.778 -11.501) 20.376 7.735 ( -13.657 -3.253 -5.202) 14.972 7.941 ( -1.580 -3.124 1.366) 3.758 8.122 ( 8.667 -3.928 -4.363) 10.468 8.339 ( -2.324 -7.403 -1.515) 7.906 8.577 ( 4.073 -5.755 -5.336) 8.842 8.748 ( 8.924 -5.241 7.052) 12.524 8.896 ( -1.623 -6.357 12.451) 14.074 9.064 ( 11.696 -9.014 -1.820) 14.878 9.130 ( 3.381 -5.040 1.089) 6.166 9.349 ( 2.820 -1.856 1.520) 3.702 9.514 ( 5.980 10.576 -4.172) 12.847 9.600 ( 4.071 -3.810 -2.534) 6.124 9.714 ( 2.478 7.942 3.429) 8.998 9.784 ( -5.190 0.632 1.924) 5.571 10.086 ( 4.677 2.482 -0.290) 5.302 10.113 ( 1.073 11.727 -0.825) 11.805 10.210 ( 4.128 4.607 2.939) 6.848 10.429 ( -1.647 6.096 -1.911) 6.598 10.480 ( 0.798 13.753 -1.463) 13.854 10.654 ( -7.058 7.983 2.173) 10.875 10.705 ( 3.905 4.059 -2.839) 6.307 10.780 ( 2.041 8.638 1.079) 8.941 10.853 ( 0.337 -4.176 -2.903) 5.097 11.125 ( -6.030 11.258 -7.764) 14.946 11.407 ( -5.124 -1.027 12.319) 13.381 11.469 ( -0.671 1.963 9.182) 9.413 11.602 ( 0.446 8.104 8.671) 11.877 11.864 ( -2.122 4.463 8.119) 9.505 12.231 ( 2.238 0.301 -7.874) 8.191 12.478 ( -0.692 2.430 -4.797) 5.422 12.585 ( 1.351 -7.387 -2.342) 7.867 12.727 ( 7.995 -1.636 -5.529) 9.857 12.852 ( 7.997 0.015 -6.760) 10.471 13.108 ( -5.693 2.114 -4.113) 7.335 13.365 ( 2.070 5.689 1.664) 6.278 13.440 ( -2.122 1.040 7.414) 7.782 13.593 ( -0.890 8.626 -0.825) 8.711 13.748 ( -5.318 1.210 -1.559) 5.673 13.938 ( -7.256 9.765 -2.574) 12.435 14.035 ( -2.674 6.459 -3.815) 7.963 14.571 ( 17.494 6.459 -1.077) 18.679 14.703 ( 12.908 10.821 -2.919) 17.095 15.971 ( -10.147 4.295 1.678) 11.146 16.094 ( -15.681 1.659 1.015) 15.801 16.641 ( 7.943 -3.993 -0.488) 8.904 16.908 ( 1.620 -0.841 -6.663) 6.908 17.450 ( -0.117 1.332 -0.693) 1.507 17.780 ( 4.281 -5.469 -7.452) 10.187 18.195 ( -5.632 -2.811 5.235) 8.187 18.406 ( -5.346 0.705 -3.222) 6.282 18.513 ( 2.855 -6.037 0.565) 6.702 18.573 ( 1.812 -3.192 -0.968) 3.796 18.913 ( -0.177 -3.827 5.858) 6.999 19.145 ( -9.622 -8.422 14.061) 19.006 19.335 ( 0.932 -5.470 -0.251) 5.554 19.569 ( -3.005 -6.459 -0.964) 7.188 ======================= Grid point 92 (33/81) ======================= q-point: ( 0.40 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 31.659 14.472 12.050) 36.836 2.174 ( 26.730 29.880 13.046) 42.160 2.669 ( -25.421 19.062 5.873) 32.312 2.751 ( -27.233 16.095 9.942) 33.159 3.260 ( 11.620 12.829 -21.123) 27.309 3.343 ( 11.336 14.684 -18.649) 26.304 3.484 ( 12.861 17.717 1.622) 21.953 3.539 ( 25.183 19.642 8.629) 33.082 3.687 ( -16.139 3.887 -16.992) 23.755 4.124 ( 3.413 16.870 5.708) 18.133 4.164 ( -1.344 13.930 5.870) 15.176 4.373 ( 8.640 4.188 12.792) 15.995 4.443 ( -7.021 3.772 6.650) 10.380 4.617 ( -2.932 13.929 7.164) 15.936 4.689 ( -22.219 8.237 12.809) 26.937 4.727 ( -2.444 14.313 7.165) 16.192 5.183 ( 3.158 22.593 1.704) 22.876 5.238 ( -1.900 9.540 -0.882) 9.767 5.272 ( -1.874 13.984 1.640) 14.204 5.301 ( -6.182 7.723 -2.650) 10.241 5.374 ( 3.335 21.702 -0.777) 21.970 5.460 ( -4.135 21.503 -0.129) 21.898 5.688 ( 17.063 1.554 -8.353) 19.061 6.103 ( -14.914 -0.080 -10.049) 17.983 6.406 ( 23.087 0.321 -22.628) 32.329 6.669 ( 4.453 -0.078 -7.993) 9.150 7.040 ( -21.852 -2.990 -16.320) 27.437 7.096 ( -21.799 -0.627 -13.566) 25.683 7.748 ( 10.151 -0.577 3.494) 10.751 7.894 ( -3.298 -0.951 1.630) 3.800 8.161 ( 2.625 -3.729 10.098) 11.080 8.320 ( -6.437 -6.804 -2.211) 9.624 8.649 ( 2.294 -5.732 1.921) 6.466 8.698 ( -3.699 -7.052 9.582) 12.459 9.046 ( 8.568 -4.387 6.765) 11.765 9.156 ( -1.416 -5.258 5.705) 7.886 9.316 ( 7.689 -8.393 2.075) 11.571 9.390 ( -0.023 -3.139 1.099) 3.325 9.612 ( 3.221 7.041 0.417) 7.754 9.660 ( -0.188 2.733 2.724) 3.863 9.735 ( 2.122 -2.878 -3.943) 5.323 9.770 ( 0.159 3.028 -2.440) 3.892 10.113 ( 1.871 15.290 -0.040) 15.404 10.177 ( -1.440 16.136 -2.391) 16.375 10.301 ( 4.346 0.006 1.758) 4.688 10.369 ( -2.371 -5.762 1.387) 6.383 10.507 ( 2.616 18.861 -3.990) 19.455 10.590 ( -2.781 12.211 -1.430) 12.605 10.694 ( 3.961 6.785 -2.595) 8.274 10.867 ( -4.543 4.272 -4.004) 7.410 10.927 ( 2.628 9.671 -0.515) 10.035 10.964 ( -1.150 4.123 -2.899) 5.169 11.307 ( -0.918 -1.729 11.875) 12.035 11.387 ( -5.478 0.092 8.146) 9.817 11.684 ( 5.091 5.278 7.346) 10.380 11.791 ( -4.342 4.430 7.613) 9.820 12.328 ( 5.057 -8.447 -11.537) 15.167 12.448 ( -4.956 -7.094 -9.796) 13.071 12.620 ( 7.709 1.937 0.412) 7.960 12.838 ( -8.609 2.635 -2.733) 9.408 13.017 ( 11.430 -4.087 0.393) 12.145 13.141 ( 9.357 0.389 -1.564) 9.495 13.287 ( -5.691 -3.125 1.755) 6.725 13.427 ( -4.964 2.234 1.668) 5.693 13.536 ( -2.463 11.691 1.463) 12.037 13.587 ( -4.790 14.120 2.446) 15.110 13.894 ( 1.886 3.925 -3.957) 5.884 13.964 ( -3.712 3.986 -4.046) 6.785 14.935 ( 13.074 4.359 -0.382) 13.787 14.981 ( 9.212 7.265 -1.431) 11.819 15.732 ( -8.706 7.061 0.773) 11.236 15.765 ( -11.758 6.198 0.649) 13.308 16.775 ( 4.734 -4.462 1.040) 6.588 16.870 ( -3.929 -4.495 0.060) 5.970 17.556 ( 8.292 0.973 -6.203) 10.401 17.744 ( -7.219 -2.140 -9.678) 12.262 18.171 ( 3.704 -3.157 5.432) 7.293 18.284 ( -5.597 -2.402 0.621) 6.122 18.569 ( 2.069 -4.983 -0.389) 5.409 18.595 ( -0.091 -4.251 -0.811) 4.329 18.926 ( 1.646 -4.263 7.904) 9.130 18.991 ( -4.510 -5.139 11.138) 13.069 19.391 ( 3.652 -5.354 -2.669) 7.009 19.483 ( -4.398 -5.860 -2.225) 7.657 ======================= Grid point 95 (34/81) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 32.759 16.579) 36.715 1.779 ( 0.000 33.210 18.238) 37.888 3.092 ( 0.000 14.862 -17.318) 22.821 3.283 ( 0.000 60.485 19.643) 63.594 3.427 ( 0.000 24.444 -23.991) 34.250 3.776 ( 0.000 14.180 5.896) 15.357 3.962 ( 0.000 4.772 17.390) 18.032 4.060 ( 0.000 21.405 3.860) 21.750 4.265 ( 0.000 12.679 -2.370) 12.898 4.339 ( 0.000 21.234 -5.723) 21.992 4.379 ( 0.000 13.661 -4.533) 14.394 4.561 ( 0.000 23.732 5.727) 24.413 4.654 ( 0.000 23.347 -2.008) 23.433 4.811 ( 0.000 0.692 0.407) 0.803 4.913 ( 0.000 20.882 1.999) 20.977 5.122 ( 0.000 3.080 -12.420) 12.796 5.244 ( 0.000 6.936 3.743) 7.881 5.395 ( 0.000 24.680 -12.978) 27.884 5.670 ( 0.000 35.042 0.053) 35.042 5.736 ( 0.000 22.760 2.825) 22.934 5.837 ( 0.000 31.475 1.895) 31.532 5.894 ( 0.000 20.804 -17.577) 27.235 6.200 ( 0.000 9.092 12.449) 15.416 6.216 ( 0.000 39.914 -11.074) 41.422 6.763 ( 0.000 10.025 5.566) 11.466 7.073 ( 0.000 -1.495 3.405) 3.719 7.124 ( 0.000 6.288 11.942) 13.496 7.609 ( 0.000 -3.189 -11.044) 11.495 7.847 ( 0.000 -0.473 -1.959) 2.015 7.854 ( 0.000 0.556 2.561) 2.620 8.033 ( 0.000 -7.512 12.685) 14.743 8.360 ( 0.000 0.069 -3.719) 3.720 8.395 ( 0.000 -5.923 -11.406) 12.852 8.526 ( 0.000 -1.171 4.645) 4.791 8.665 ( 0.000 -8.211 -14.706) 16.843 8.842 ( 0.000 -11.410 11.244) 16.019 8.960 ( 0.000 -5.135 -1.758) 5.428 9.214 ( 0.000 -9.347 6.313) 11.279 9.357 ( 0.000 -11.461 -2.143) 11.660 9.406 ( 0.000 -6.770 -3.124) 7.456 9.937 ( 0.000 -0.631 -0.223) 0.669 9.974 ( 0.000 -0.882 2.860) 2.992 10.078 ( 0.000 9.878 2.279) 10.138 10.216 ( 0.000 16.751 2.153) 16.889 10.444 ( 0.000 17.351 -3.256) 17.653 10.544 ( 0.000 -3.749 -4.875) 6.150 10.601 ( 0.000 -1.305 0.472) 1.388 10.687 ( 0.000 0.920 1.373) 1.653 10.786 ( 0.000 6.420 0.059) 6.420 10.932 ( 0.000 14.949 8.734) 17.313 10.948 ( 0.000 14.745 -10.703) 18.220 11.483 ( 0.000 7.572 12.339) 14.478 11.506 ( 0.000 0.847 9.438) 9.476 11.595 ( 0.000 23.028 -9.768) 25.014 11.809 ( 0.000 6.559 7.483) 9.951 11.939 ( 0.000 2.448 3.346) 4.146 12.307 ( 0.000 1.503 3.076) 3.423 12.477 ( 0.000 7.358 7.326) 10.384 12.557 ( 0.000 -4.211 -6.200) 7.495 12.713 ( 0.000 9.179 -9.116) 12.937 12.787 ( 0.000 5.580 -7.583) 9.415 13.303 ( 0.000 -0.395 -2.995) 3.021 13.344 ( 0.000 6.644 3.185) 7.368 13.466 ( 0.000 -3.545 -2.721) 4.468 13.823 ( 0.000 13.870 4.683) 14.639 13.897 ( 0.000 7.686 -0.914) 7.740 14.188 ( 0.000 9.538 -2.138) 9.775 14.437 ( 0.000 16.964 5.771) 17.919 14.502 ( 0.000 14.470 -8.494) 16.779 14.774 ( 0.000 11.788 -5.282) 12.918 16.137 ( 0.000 1.358 1.794) 2.250 16.350 ( 0.000 -0.381 7.255) 7.265 16.380 ( 0.000 -5.081 -4.698) 6.920 16.891 ( 0.000 -1.864 -6.018) 6.300 17.493 ( 0.000 -0.142 -3.694) 3.696 17.547 ( 0.000 -7.537 -3.054) 8.133 18.178 ( 0.000 -7.067 2.648) 7.547 18.311 ( 0.000 -8.969 2.485) 9.307 18.366 ( 0.000 -8.526 -1.095) 8.596 18.547 ( 0.000 -1.170 -7.427) 7.518 18.814 ( 0.000 -6.708 4.309) 7.973 19.036 ( 0.000 -12.144 9.793) 15.600 19.175 ( 0.000 -9.750 0.706) 9.775 19.424 ( 0.000 -11.001 -1.501) 11.103 ======================= Grid point 96 (35/81) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 16.953 30.623 11.740) 36.920 2.093 ( 26.835 25.470 16.288) 40.425 3.182 ( 6.162 11.764 -19.439) 23.543 3.444 ( 6.263 41.028 5.408) 41.854 3.499 ( 7.226 35.018 -5.203) 36.132 3.601 ( -9.929 19.439 7.493) 23.079 3.815 ( -11.292 24.369 -1.813) 26.919 4.075 ( -9.364 9.944 0.248) 13.661 4.107 ( 6.440 3.488 6.604) 9.862 4.244 ( -6.737 28.055 -2.946) 29.002 4.474 ( 0.873 13.008 3.370) 13.466 4.573 ( 2.578 18.297 3.396) 18.788 4.640 ( 0.798 24.145 1.976) 24.239 4.910 ( 4.331 4.926 4.414) 7.906 4.934 ( 1.458 19.363 2.581) 19.588 5.253 ( 3.128 8.923 -4.048) 10.285 5.301 ( 4.134 15.084 -8.817) 17.954 5.413 ( 4.810 11.255 -8.598) 14.958 5.674 ( -2.546 21.347 6.653) 22.504 5.781 ( 5.449 31.748 -2.497) 32.309 5.830 ( 0.320 32.660 0.708) 32.670 5.889 ( 0.266 23.010 -7.789) 24.294 6.141 ( -4.312 20.723 4.422) 21.624 6.251 ( 4.467 27.754 -18.545) 33.677 6.471 ( -20.475 14.038 13.965) 28.483 6.830 ( -13.552 0.389 -6.935) 15.228 7.265 ( 2.072 1.762 2.466) 3.672 7.507 ( -11.747 -2.130 -2.736) 12.248 7.671 ( -11.214 -2.435 -7.598) 13.763 7.910 ( 1.407 0.297 2.171) 2.604 8.044 ( 6.425 -3.770 -1.153) 7.538 8.223 ( -7.249 -4.511 -1.745) 8.715 8.461 ( 3.406 -5.252 -1.766) 6.504 8.637 ( 2.853 -6.295 6.960) 9.809 8.768 ( 3.710 -6.333 7.735) 10.663 8.898 ( 11.142 -7.912 -2.994) 13.990 9.014 ( 2.155 -6.613 3.559) 7.813 9.215 ( 2.637 -10.075 4.013) 11.161 9.440 ( 5.306 -10.290 -3.165) 12.002 9.521 ( 6.887 -8.034 -4.509) 11.502 9.885 ( -2.775 4.305 0.242) 5.128 9.960 ( -0.853 8.086 1.314) 8.236 10.091 ( 1.463 -1.513 2.326) 3.137 10.256 ( 2.019 8.515 0.825) 8.790 10.468 ( 2.198 15.437 -2.514) 15.794 10.592 ( 2.474 8.004 -2.324) 8.694 10.643 ( 3.556 -1.656 -0.539) 3.960 10.669 ( 0.461 2.268 2.084) 3.114 10.820 ( 2.703 5.202 -0.255) 5.868 10.938 ( -0.953 15.210 -9.030) 17.714 11.017 ( 6.956 15.652 3.091) 17.405 11.408 ( -8.648 6.485 6.695) 12.715 11.463 ( -3.851 6.534 3.625) 8.407 11.535 ( -2.984 15.491 3.941) 16.261 11.738 ( -3.059 4.280 4.621) 7.002 11.927 ( -2.366 3.194 3.997) 5.637 12.309 ( -7.183 1.885 -2.126) 7.725 12.456 ( 3.693 -2.965 4.485) 6.523 12.611 ( 6.506 12.213 1.388) 13.907 12.727 ( 0.049 3.300 -7.445) 8.144 12.906 ( 11.368 4.909 -6.600) 14.031 13.195 ( -6.621 6.567 -2.417) 9.633 13.385 ( -6.085 -1.927 0.949) 6.453 13.448 ( 4.265 0.191 1.747) 4.612 13.778 ( -3.407 8.500 3.680) 9.869 13.881 ( -0.910 11.155 -3.531) 11.736 14.149 ( -4.072 10.991 -3.184) 12.146 14.250 ( -8.715 15.409 -0.963) 17.729 14.725 ( 14.061 9.612 0.420) 17.038 14.942 ( 11.345 12.451 -4.492) 17.433 16.070 ( -5.984 5.077 1.329) 7.960 16.148 ( -10.601 3.994 1.658) 11.449 16.527 ( 6.093 -7.380 0.847) 9.607 16.836 ( -4.347 -6.036 -3.163) 8.083 17.484 ( 1.780 1.897 -5.021) 5.655 17.638 ( 4.594 -8.399 -6.882) 11.790 18.113 ( -3.828 -5.347 5.604) 8.640 18.321 ( -2.532 -9.321 2.775) 10.050 18.380 ( 2.357 -7.274 -2.423) 8.021 18.516 ( -1.654 -2.406 -4.709) 5.541 18.808 ( -0.315 -6.687 4.910) 8.302 18.961 ( -5.300 -9.659 11.209) 15.718 19.189 ( 1.575 -9.227 -1.700) 9.513 19.396 ( -2.506 -10.720 -1.919) 11.175 ======================= Grid point 97 (36/81) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 24.984 22.799 9.011) 35.003 2.743 ( 28.827 24.473 10.082) 39.136 2.947 ( -25.976 15.560 6.088) 30.885 3.301 ( -20.523 28.925 5.079) 35.828 3.465 ( 11.622 11.871 -21.875) 27.469 3.759 ( -8.582 14.467 -15.836) 23.103 3.831 ( 3.210 18.253 -15.700) 24.289 3.989 ( 3.056 29.628 -1.786) 29.839 4.118 ( 16.714 37.356 7.584) 41.621 4.362 ( 9.106 8.412 14.877) 19.366 4.515 ( 2.723 12.214 9.013) 15.422 4.568 ( -1.016 17.908 8.410) 19.810 4.644 ( -2.533 16.834 7.174) 18.474 4.822 ( -14.347 14.224 11.406) 23.200 4.983 ( 3.483 19.350 2.967) 19.884 5.138 ( -12.231 18.716 1.208) 22.391 5.373 ( 4.293 15.598 -1.831) 16.281 5.504 ( -6.157 14.191 0.991) 15.501 5.634 ( 11.157 11.994 -3.743) 16.803 5.800 ( -2.589 29.158 1.014) 29.291 5.908 ( 4.426 31.061 0.537) 31.379 5.960 ( 2.142 32.885 -2.349) 33.038 6.040 ( -2.862 32.558 -0.106) 32.683 6.143 ( -13.424 8.784 -5.598) 16.991 6.458 ( 17.176 7.664 -16.181) 24.810 6.701 ( 6.528 5.369 -11.330) 14.135 6.973 ( -20.154 -3.006 -12.987) 24.163 7.111 ( -20.984 3.697 -15.031) 26.075 7.746 ( 10.061 0.656 2.883) 10.487 7.892 ( -3.235 1.096 0.668) 3.480 8.080 ( 1.093 -3.877 6.539) 7.681 8.175 ( -2.782 -6.989 -2.845) 8.042 8.526 ( 1.746 -6.351 2.788) 7.153 8.558 ( -3.182 -6.539 12.329) 14.314 8.940 ( 7.338 -6.115 7.057) 11.877 9.032 ( -1.086 -7.247 7.567) 10.533 9.140 ( 8.538 -8.826 0.218) 12.282 9.247 ( -1.266 -9.488 2.102) 9.801 9.546 ( 3.880 -8.253 -3.731) 9.853 9.599 ( -0.317 -8.337 -3.131) 8.911 9.882 ( 2.594 7.360 -2.428) 8.172 9.940 ( -1.665 8.147 -2.347) 8.640 10.155 ( 4.413 -5.774 2.767) 7.777 10.250 ( -2.958 -1.445 1.136) 3.482 10.531 ( 2.904 17.066 -0.495) 17.319 10.580 ( -1.708 18.873 2.219) 19.080 10.729 ( 3.611 1.434 -1.832) 4.295 10.756 ( 3.337 1.182 -3.603) 5.051 10.884 ( 2.586 10.789 -0.704) 11.117 10.934 ( 1.312 9.572 -4.701) 10.745 11.157 ( 1.647 15.044 -1.325) 15.192 11.228 ( -3.331 15.931 -2.658) 16.492 11.358 ( -3.768 8.532 7.980) 12.275 11.426 ( -5.574 5.761 7.370) 10.889 11.738 ( 2.533 -0.164 2.367) 3.471 11.830 ( -5.328 0.860 2.135) 5.804 12.241 ( 2.256 -1.040 0.637) 2.564 12.371 ( -7.994 -0.067 0.111) 7.995 12.785 ( 9.057 15.776 0.076) 18.191 12.897 ( 9.714 1.342 -0.002) 9.806 13.023 ( -6.571 7.989 -0.570) 10.360 13.159 ( 0.524 2.262 0.798) 2.455 13.230 ( 2.274 -2.016 -1.338) 3.321 13.446 ( -6.795 1.249 -1.702) 7.116 13.760 ( 3.385 8.286 0.455) 8.962 13.847 ( -2.710 10.338 -3.344) 11.198 14.061 ( -2.007 12.528 -1.474) 12.773 14.097 ( -5.075 10.703 -1.656) 11.961 15.042 ( 12.327 6.641 0.836) 14.027 15.143 ( 4.273 8.730 -1.649) 9.858 15.916 ( -5.580 10.918 0.358) 12.267 15.937 ( -7.160 10.837 0.508) 12.998 16.640 ( 4.390 -9.160 1.182) 10.227 16.734 ( -4.472 -9.100 0.250) 10.143 17.571 ( 5.338 0.101 -8.258) 9.833 17.671 ( -2.354 -5.253 -10.969) 12.388 18.088 ( 2.575 -5.044 8.358) 10.096 18.202 ( -6.585 -6.181 4.530) 10.104 18.444 ( 2.811 -7.332 -1.876) 8.073 18.491 ( -1.331 -5.767 -2.472) 6.414 18.813 ( 1.062 -6.957 6.595) 9.644 18.861 ( -3.387 -7.703 9.088) 12.386 19.244 ( 3.255 -9.410 -2.882) 10.366 19.324 ( -3.773 -10.012 -2.712) 11.038 ======================= Grid point 100 (37/81) ======================= q-point: ( 0.00 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.000 32.769 9.926) 34.240 2.439 ( 0.000 33.317 8.684) 34.430 3.380 ( 0.000 16.114 -16.279) 22.905 3.782 ( 0.000 13.042 -19.180) 23.194 4.009 ( 0.000 7.557 17.556) 19.113 4.045 ( 0.000 12.513 -2.425) 12.746 4.391 ( 0.000 19.037 -1.893) 19.131 4.421 ( 0.000 13.161 0.179) 13.162 4.590 ( 0.000 39.678 8.531) 40.584 4.633 ( 0.000 22.643 0.770) 22.656 4.824 ( 0.000 1.569 -0.041) 1.570 4.914 ( 0.000 21.926 -7.960) 23.327 4.967 ( 0.000 15.523 9.723) 18.317 5.070 ( 0.000 16.609 -7.373) 18.172 5.262 ( 0.000 14.539 0.825) 14.562 5.392 ( 0.000 27.411 0.654) 27.418 5.449 ( 0.000 15.269 14.335) 20.944 5.793 ( 0.000 14.499 -4.308) 15.126 6.175 ( 0.000 23.848 2.755) 24.006 6.340 ( 0.000 7.369 9.610) 12.111 6.345 ( 0.000 31.065 -16.720) 35.279 6.441 ( 0.000 31.540 -4.648) 31.881 6.520 ( 0.000 34.407 0.564) 34.412 7.028 ( 0.000 37.325 -8.756) 38.339 7.075 ( 0.000 7.279 -6.782) 9.949 7.254 ( 0.000 32.184 9.219) 33.478 7.298 ( 0.000 11.490 2.259) 11.710 7.609 ( 0.000 7.211 -5.877) 9.303 7.815 ( 0.000 -4.192 9.125) 10.042 7.888 ( 0.000 4.288 2.088) 4.769 7.953 ( 0.000 2.183 2.168) 3.076 8.321 ( 0.000 -0.789 -9.944) 9.975 8.359 ( 0.000 -3.806 -3.922) 5.465 8.425 ( 0.000 -5.632 -7.540) 9.411 8.605 ( 0.000 -1.144 0.057) 1.146 8.646 ( 0.000 -2.894 7.386) 7.933 8.848 ( 0.000 -6.129 0.255) 6.134 8.993 ( 0.000 -12.651 7.257) 14.585 9.090 ( 0.000 -15.236 -3.683) 15.675 9.228 ( 0.000 -10.138 -1.262) 10.216 9.888 ( 0.000 -4.608 5.528) 7.196 9.940 ( 0.000 0.883 -2.388) 2.546 10.131 ( 0.000 -4.773 -6.665) 8.198 10.317 ( 0.000 -5.306 -2.260) 5.768 10.456 ( 0.000 -4.315 0.301) 4.325 10.474 ( 0.000 -4.442 -0.281) 4.451 10.886 ( 0.000 14.076 1.800) 14.190 10.929 ( 0.000 21.313 0.475) 21.318 10.935 ( 0.000 12.697 2.460) 12.933 11.126 ( 0.000 2.048 -6.607) 6.917 11.309 ( 0.000 19.435 8.318) 21.140 11.502 ( 0.000 0.698 11.851) 11.872 11.682 ( 0.000 12.498 9.305) 15.581 11.861 ( 0.000 0.743 1.391) 1.576 11.994 ( 0.000 1.869 5.274) 5.595 12.092 ( 0.000 21.018 -2.305) 21.144 12.348 ( 0.000 4.256 0.096) 4.257 12.530 ( 0.000 4.292 -13.160) 13.843 12.714 ( 0.000 14.358 5.288) 15.300 12.871 ( 0.000 6.690 -5.464) 8.638 12.957 ( 0.000 9.940 -2.956) 10.370 13.278 ( 0.000 -0.976 -1.210) 1.555 13.376 ( 0.000 -4.608 -3.276) 5.654 13.515 ( 0.000 10.325 -4.060) 11.095 13.929 ( 0.000 2.644 15.993) 16.210 14.237 ( 0.000 20.503 -2.746) 20.686 14.410 ( 0.000 12.542 1.263) 12.606 14.819 ( 0.000 21.315 2.495) 21.461 14.819 ( 0.000 17.265 -7.680) 18.896 14.975 ( 0.000 8.742 -6.407) 10.838 16.117 ( 0.000 -4.224 1.086) 4.362 16.257 ( 0.000 -7.420 -2.820) 7.938 16.369 ( 0.000 2.662 7.462) 7.923 16.818 ( 0.000 -4.754 -3.225) 5.744 17.417 ( 0.000 -5.091 -4.915) 7.077 17.499 ( 0.000 0.602 -7.460) 7.484 18.023 ( 0.000 -8.442 2.791) 8.892 18.124 ( 0.000 -9.574 6.400) 11.516 18.176 ( 0.000 -10.574 -0.502) 10.586 18.488 ( 0.000 -4.644 -6.104) 7.669 18.660 ( 0.000 -8.833 3.365) 9.452 18.813 ( 0.000 -10.783 8.017) 13.437 18.962 ( 0.000 -11.891 -0.970) 11.931 19.186 ( 0.000 -12.913 -2.096) 13.082 ======================= Grid point 101 (38/81) ======================= q-point: ( 0.20 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 13.518 31.440 6.484) 34.832 2.605 ( 17.624 26.694 10.651) 33.714 3.455 ( 5.297 15.630 -13.884) 21.567 3.803 ( -14.523 13.795 0.621) 20.040 3.891 ( 7.988 14.031 -21.397) 26.805 4.156 ( 6.667 5.259 8.445) 11.976 4.228 ( -11.980 14.909 5.300) 19.847 4.280 ( -10.010 13.016 -2.485) 16.607 4.589 ( 3.445 35.471 3.942) 35.855 4.710 ( 2.853 22.823 5.822) 23.726 4.852 ( -3.445 28.825 -2.386) 29.128 4.939 ( 5.663 12.037 7.381) 15.213 4.971 ( 3.471 9.122 2.599) 10.100 5.069 ( -2.023 17.176 -1.288) 17.342 5.385 ( 0.150 21.525 -0.476) 21.531 5.440 ( 9.201 13.632 -3.057) 16.729 5.540 ( 9.401 17.072 6.887) 20.670 5.773 ( -1.170 15.749 -1.836) 15.899 6.098 ( -5.714 24.892 4.683) 25.965 6.198 ( -8.488 7.595 8.771) 14.376 6.402 ( 2.550 24.666 -19.221) 31.374 6.475 ( 1.117 29.206 -4.394) 29.555 6.555 ( 3.680 35.679 1.298) 35.892 6.883 ( -12.770 10.437 -2.153) 16.632 7.032 ( -14.445 29.984 5.310) 33.703 7.048 ( 1.489 39.276 -11.208) 40.871 7.342 ( -6.598 11.090 -4.317) 13.607 7.574 ( 2.100 10.111 9.278) 13.882 7.692 ( -10.357 9.123 -9.191) 16.582 7.947 ( 4.584 1.353 -0.094) 4.780 7.985 ( 2.952 0.009 0.565) 3.006 8.156 ( -8.506 -2.300 -3.089) 9.337 8.383 ( 1.297 -2.964 0.074) 3.236 8.487 ( -0.123 -8.445 2.086) 8.699 8.668 ( 6.464 -2.979 4.201) 8.266 8.788 ( 9.768 -2.602 -0.503) 10.121 8.873 ( 0.308 -7.519 5.484) 9.312 8.990 ( 3.621 -11.950 2.612) 12.756 9.192 ( 6.620 -14.583 -3.629) 16.422 9.322 ( 5.651 -11.310 -3.168) 13.034 9.880 ( -0.411 -3.120 3.233) 4.511 9.973 ( 2.401 -2.472 0.242) 3.455 10.080 ( -3.555 -1.428 -5.550) 6.744 10.315 ( -0.700 -3.284 -1.066) 3.523 10.481 ( 4.157 -6.165 -0.962) 7.497 10.521 ( 3.911 -5.419 -0.454) 6.698 10.893 ( -2.246 13.774 1.114) 14.001 10.933 ( 1.148 17.161 1.077) 17.233 10.994 ( 4.862 10.191 2.318) 11.527 11.119 ( -0.746 3.099 -3.103) 4.449 11.361 ( 4.551 17.485 4.390) 18.593 11.501 ( 0.728 4.770 7.995) 9.338 11.624 ( -5.989 12.198 5.049) 14.497 11.773 ( -4.006 2.982 2.089) 5.414 11.959 ( -8.519 12.281 1.783) 15.052 12.009 ( -2.667 8.097 4.602) 9.688 12.335 ( -8.698 7.048 -4.331) 12.004 12.473 ( 6.700 3.845 3.184) 8.355 12.791 ( -0.077 7.291 -4.653) 8.650 12.954 ( 7.568 10.343 -7.119) 14.660 13.026 ( 8.226 11.667 -2.462) 14.486 13.275 ( -4.169 -1.114 -4.718) 6.394 13.391 ( 4.344 2.725 3.308) 6.102 13.512 ( -1.237 9.207 -0.452) 9.301 13.903 ( -1.664 4.383 10.947) 11.909 14.140 ( -6.601 15.041 -6.101) 17.522 14.387 ( -3.568 13.071 -1.103) 13.594 14.564 ( -12.292 14.699 0.019) 19.161 14.958 ( 9.968 13.904 0.234) 17.109 15.189 ( 10.543 13.382 -4.456) 17.609 16.127 ( 0.458 -0.544 0.332) 0.784 16.236 ( -2.267 2.506 -1.339) 3.635 16.376 ( 1.162 -5.502 4.882) 7.447 16.710 ( -8.148 -5.659 -2.199) 10.161 17.479 ( 3.869 -7.018 -6.805) 10.514 17.514 ( 1.788 0.869 -7.944) 8.189 17.993 ( -1.938 -6.821 6.004) 9.291 18.118 ( -1.469 -10.393 6.377) 12.282 18.208 ( 2.829 -9.900 -1.465) 10.400 18.451 ( -2.883 -4.632 -4.964) 7.376 18.656 ( -0.191 -8.660 3.865) 9.485 18.773 ( -3.198 -9.523 7.890) 12.773 18.981 ( 1.687 -11.731 -1.962) 12.013 19.163 ( -2.001 -12.621 -2.394) 13.001 ======================= Grid point 102 (39/81) ======================= q-point: ( 0.40 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 18.120 26.228 5.599) 32.366 3.145 ( 26.931 17.840 7.768) 33.225 3.295 ( -18.455 19.139 3.928) 26.876 3.703 ( -2.230 14.466 -12.437) 19.207 3.789 ( -13.618 17.660 0.603) 22.309 3.983 ( -11.852 12.331 -13.312) 21.674 4.184 ( 14.925 13.741 -11.806) 23.472 4.473 ( 12.482 4.404 13.895) 19.191 4.502 ( -10.643 19.719 -10.400) 24.704 4.696 ( -4.880 8.196 7.749) 12.290 4.887 ( 0.638 26.461 8.243) 27.723 4.945 ( -4.998 14.778 6.928) 17.069 5.046 ( 13.147 35.590 8.201) 38.817 5.211 ( 7.112 17.865 2.818) 19.434 5.344 ( -1.924 21.022 -2.392) 21.245 5.486 ( -7.399 19.961 1.537) 21.343 5.758 ( 8.685 15.382 0.309) 17.668 5.790 ( 3.154 16.404 0.870) 16.727 5.961 ( -4.520 22.978 4.263) 23.803 6.079 ( -6.704 6.506 -1.793) 9.512 6.388 ( 2.358 10.121 -8.808) 13.622 6.503 ( -2.729 19.404 -7.435) 20.958 6.645 ( 4.806 38.295 1.747) 38.635 6.726 ( -2.124 26.746 -0.291) 26.832 6.777 ( -2.074 23.732 1.344) 23.861 7.020 ( -17.519 16.418 -4.163) 24.368 7.127 ( 6.862 38.007 -13.999) 41.081 7.370 ( -14.016 27.135 -12.099) 32.850 7.788 ( 9.950 4.226 1.836) 10.965 7.945 ( -4.026 4.470 -0.941) 6.089 8.037 ( 0.058 0.261 1.321) 1.348 8.067 ( -0.292 -3.681 -3.297) 4.950 8.412 ( 0.922 -4.969 4.311) 6.643 8.437 ( -2.074 -6.178 10.056) 11.984 8.820 ( 5.280 -5.712 7.035) 10.488 8.874 ( -0.032 -8.789 9.007) 12.585 8.982 ( 6.261 -6.625 -2.235) 9.385 9.052 ( 0.129 -9.670 -0.564) 9.688 9.331 ( 5.259 -13.157 -4.328) 14.816 9.393 ( 0.115 -12.321 -4.197) 13.017 9.888 ( 1.505 -4.121 0.819) 4.463 9.948 ( -3.610 -6.037 -1.500) 7.192 10.112 ( 5.884 1.338 -1.158) 6.144 10.249 ( -5.408 -0.554 -0.578) 5.467 10.624 ( 7.887 -6.539 0.054) 10.245 10.688 ( 10.856 -2.434 -0.890) 11.161 10.793 ( -6.685 0.346 1.985) 6.982 10.898 ( -5.834 10.102 0.387) 11.672 11.090 ( 2.196 9.393 0.550) 9.663 11.104 ( 0.312 9.854 1.877) 10.036 11.431 ( 0.125 7.342 1.986) 7.607 11.477 ( -3.064 9.588 2.486) 10.369 11.590 ( 4.194 16.661 2.030) 17.300 11.714 ( -5.301 12.974 0.185) 14.016 11.764 ( 0.231 7.665 0.532) 7.687 11.902 ( -7.505 10.568 -0.285) 12.965 12.292 ( 4.095 7.190 5.689) 10.042 12.444 ( -7.766 7.174 3.623) 11.176 12.893 ( 9.761 0.069 -0.453) 9.771 13.094 ( -3.675 1.042 1.713) 4.186 13.167 ( 3.266 12.001 -9.063) 15.389 13.252 ( 6.693 6.420 -5.436) 10.750 13.387 ( -1.422 19.950 2.521) 20.158 13.505 ( -2.612 6.270 0.730) 6.831 13.897 ( 2.778 7.055 1.389) 7.708 14.008 ( -5.370 7.855 -6.672) 11.621 14.295 ( -2.588 10.511 0.737) 10.850 14.343 ( -6.948 11.239 2.321) 13.416 15.206 ( 10.481 10.132 1.873) 14.698 15.328 ( 0.707 10.398 -0.755) 10.449 16.127 ( 0.192 9.297 -1.423) 9.407 16.167 ( -3.231 11.954 -1.246) 12.446 16.428 ( 3.498 -11.828 1.652) 12.444 16.536 ( -6.595 -9.826 -0.442) 11.842 17.538 ( 2.293 -4.721 -8.478) 9.971 17.564 ( 0.795 -3.767 -10.186) 10.889 17.979 ( 1.430 -6.103 9.543) 11.417 18.050 ( -4.113 -8.728 7.902) 12.471 18.289 ( 4.247 -8.213 -2.273) 9.521 18.379 ( -3.663 -5.835 -3.486) 7.721 18.661 ( 0.863 -8.380 5.072) 9.833 18.701 ( -2.800 -8.456 6.786) 11.198 19.033 ( 2.981 -11.692 -2.856) 12.400 19.104 ( -3.194 -12.035 -2.886) 12.781 ======================= Grid point 105 (40/81) ======================= q-point: ( 0.00 0.24 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 0.000 29.207 5.506) 29.721 3.068 ( 0.000 30.292 1.277) 30.319 3.713 ( 0.000 17.227 -8.148) 19.057 4.014 ( 0.000 11.635 -10.257) 15.510 4.148 ( 0.000 7.603 11.627) 13.892 4.254 ( 0.000 8.994 -8.704) 12.516 4.571 ( 0.000 8.259 -3.061) 8.808 4.599 ( 0.000 4.500 0.949) 4.599 4.896 ( 0.000 5.205 -2.483) 5.767 4.933 ( 0.000 9.475 4.171) 10.353 5.051 ( 0.000 2.790 -17.051) 17.278 5.293 ( 0.000 17.826 10.537) 20.707 5.328 ( 0.000 17.428 7.126) 18.828 5.402 ( 0.000 9.073 -2.910) 9.528 5.706 ( 0.000 32.037 7.986) 33.018 5.788 ( 0.000 17.535 15.823) 23.619 5.929 ( 0.000 24.841 -1.197) 24.869 6.046 ( 0.000 11.898 10.660) 15.975 6.439 ( 0.000 15.119 0.821) 15.141 6.778 ( 0.000 6.337 -9.688) 11.577 6.786 ( 0.000 25.522 -4.722) 25.955 6.947 ( 0.000 10.347 -6.129) 12.026 6.974 ( 0.000 26.959 -12.444) 29.693 7.504 ( 0.000 14.819 8.312) 16.991 7.508 ( 0.000 35.102 3.697) 35.296 7.533 ( 0.000 6.513 -13.411) 14.909 7.594 ( 0.000 -1.694 12.233) 12.350 7.877 ( 0.000 17.255 -7.852) 18.958 7.951 ( 0.000 15.888 -0.980) 15.918 8.093 ( 0.000 10.946 0.331) 10.951 8.146 ( 0.000 -7.940 2.702) 8.387 8.269 ( 0.000 25.867 -2.786) 26.016 8.387 ( 0.000 1.532 0.127) 1.537 8.446 ( 0.000 16.188 -5.328) 17.043 8.645 ( 0.000 11.562 -1.463) 11.654 8.703 ( 0.000 -11.601 1.110) 11.654 8.741 ( 0.000 -6.613 6.096) 8.994 8.817 ( 0.000 11.933 0.732) 11.956 8.838 ( 0.000 -3.369 -0.953) 3.501 9.048 ( 0.000 -6.903 -0.537) 6.924 9.818 ( 0.000 -2.290 4.875) 5.386 9.957 ( 0.000 0.369 -3.902) 3.920 9.976 ( 0.000 -9.663 -5.039) 10.898 10.193 ( 0.000 -5.686 -3.313) 6.581 10.402 ( 0.000 -0.212 1.796) 1.808 10.413 ( 0.000 -1.459 0.382) 1.508 11.030 ( 0.000 5.602 -0.558) 5.630 11.050 ( 0.000 -7.573 -1.760) 7.775 11.170 ( 0.000 6.708 7.774) 10.268 11.322 ( 0.000 14.713 -0.212) 14.715 11.581 ( 0.000 5.124 4.271) 6.670 11.603 ( 0.000 10.415 12.791) 16.495 11.854 ( 0.000 -0.875 5.687) 5.754 11.868 ( 0.000 5.020 1.542) 5.252 11.997 ( 0.000 -0.937 8.733) 8.783 12.356 ( 0.000 9.384 3.687) 10.083 12.481 ( 0.000 8.159 -7.283) 10.937 12.742 ( 0.000 11.286 -22.901) 25.531 12.883 ( 0.000 2.739 1.857) 3.309 13.108 ( 0.000 17.921 -0.740) 17.936 13.147 ( 0.000 8.401 -0.547) 8.419 13.246 ( 0.000 -1.573 -1.836) 2.418 13.358 ( 0.000 4.078 -7.233) 8.303 13.714 ( 0.000 8.985 -9.501) 13.077 14.006 ( 0.000 5.946 23.823) 24.554 14.624 ( 0.000 18.229 0.639) 18.240 14.656 ( 0.000 11.860 4.905) 12.835 15.099 ( 0.000 6.277 -9.200) 11.138 15.186 ( 0.000 16.707 -2.640) 16.914 15.251 ( 0.000 22.146 -0.022) 22.146 15.972 ( 0.000 -9.258 1.675) 9.409 16.091 ( 0.000 -9.310 -1.678) 9.460 16.455 ( 0.000 5.862 5.715) 8.186 16.728 ( 0.000 -4.060 -2.778) 4.919 17.354 ( 0.000 -1.704 -8.409) 8.579 17.506 ( 0.000 -0.149 -8.888) 8.889 17.856 ( 0.000 -8.418 2.630) 8.819 17.936 ( 0.000 -10.349 3.782) 11.018 17.970 ( 0.000 -9.263 6.932) 11.570 18.374 ( 0.000 -6.584 -4.277) 7.851 18.473 ( 0.000 -10.003 2.465) 10.303 18.605 ( 0.000 -10.479 5.851) 12.002 18.715 ( 0.000 -13.037 -0.858) 13.065 18.930 ( 0.000 -12.900 -2.117) 13.073 ======================= Grid point 106 (41/81) ======================= q-point: ( 0.20 0.24 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 12.863 25.295 5.204) 28.852 3.154 ( 7.561 28.763 2.230) 29.823 3.775 ( 3.839 16.248 -6.755) 18.010 4.074 ( -4.736 13.023 1.057) 13.898 4.119 ( 2.409 11.110 -18.454) 21.675 4.249 ( 6.594 5.197 8.626) 12.037 4.448 ( -12.730 7.561 -0.581) 14.818 4.509 ( -6.289 10.726 0.920) 12.468 4.857 ( -2.112 6.897 1.942) 7.470 4.955 ( 3.627 4.313 -5.153) 7.636 5.088 ( -1.439 5.665 -5.872) 8.285 5.292 ( -3.836 13.819 1.652) 14.437 5.342 ( -0.034 11.141 4.430) 11.989 5.482 ( 13.133 13.955 3.842) 19.544 5.725 ( 4.142 26.312 2.976) 26.802 5.892 ( -3.285 22.183 -0.018) 22.425 5.924 ( 8.119 20.442 11.880) 24.999 6.051 ( 0.756 14.319 8.336) 16.586 6.368 ( -5.828 14.670 4.551) 16.428 6.574 ( -9.011 15.505 -1.124) 17.968 6.781 ( -10.280 11.728 -6.448) 16.876 6.894 ( -1.564 17.294 -12.218) 21.232 7.066 ( 4.482 20.057 -8.978) 22.427 7.275 ( -9.281 12.242 -4.110) 15.903 7.417 ( -4.496 31.308 7.710) 32.555 7.632 ( 8.403 13.501 6.840) 17.311 7.798 ( 6.731 19.919 -5.290) 21.680 7.863 ( -0.863 11.689 -8.759) 14.632 7.949 ( -0.766 14.918 -0.187) 14.939 8.113 ( -2.757 6.904 -1.453) 7.575 8.139 ( -4.741 12.128 -2.516) 13.263 8.259 ( 4.032 11.052 8.005) 14.229 8.269 ( -1.114 15.125 -3.644) 15.597 8.480 ( -2.117 10.660 -2.693) 11.197 8.673 ( -1.910 -7.223 11.143) 13.416 8.694 ( 2.307 4.508 -0.712) 5.114 8.779 ( 3.441 -6.575 0.226) 7.425 8.821 ( 4.974 -4.490 -2.170) 7.044 8.969 ( 7.208 1.958 -1.687) 7.658 9.115 ( 3.849 -8.352 -1.502) 9.318 9.811 ( -0.798 -3.148 5.604) 6.477 9.904 ( -3.348 -5.073 -2.413) 6.540 10.027 ( 3.307 -3.464 -5.528) 7.314 10.227 ( 2.388 -4.314 -2.403) 5.485 10.391 ( 1.491 -2.298 0.062) 2.740 10.433 ( 2.062 -2.218 0.841) 3.143 11.018 ( -8.809 0.631 4.775) 10.040 11.079 ( 0.560 -1.505 1.161) 1.981 11.156 ( 7.496 6.104 -0.217) 9.670 11.259 ( -5.404 9.092 -0.663) 10.597 11.535 ( -4.855 -0.969 3.413) 6.013 11.655 ( 3.999 10.990 7.755) 14.032 11.784 ( -2.576 4.180 4.226) 6.478 11.904 ( 1.031 5.312 4.541) 7.064 12.080 ( 7.422 5.050 10.204) 13.591 12.148 ( -13.398 9.008 4.070) 16.650 12.584 ( 3.905 7.819 -3.049) 9.256 12.658 ( -3.245 17.152 -14.825) 22.903 12.947 ( -6.471 7.579 -6.545) 11.923 13.011 ( 6.694 1.129 -5.248) 8.580 13.252 ( -0.406 1.343 -3.077) 3.382 13.344 ( 3.596 12.094 -7.674) 14.768 13.428 ( 13.209 4.462 2.945) 14.250 13.760 ( 2.256 12.863 -1.895) 13.196 13.987 ( 0.339 5.453 15.633) 16.560 14.447 ( -11.152 14.989 0.578) 18.692 14.645 ( -5.900 12.863 -1.051) 14.191 14.793 ( -15.503 8.570 -1.472) 17.775 15.246 ( 6.091 14.355 1.821) 15.700 15.483 ( 8.286 16.148 -2.936) 18.386 16.034 ( 5.804 -7.674 0.294) 9.626 16.118 ( 2.436 -9.654 -1.186) 10.027 16.444 ( -1.337 7.775 3.266) 8.538 16.639 ( -7.308 -1.803 -2.848) 8.048 17.378 ( 1.983 -3.290 -7.863) 8.751 17.512 ( 0.338 -1.048 -8.680) 8.749 17.847 ( -0.581 -7.942 4.551) 9.172 17.928 ( -1.455 -9.093 8.313) 12.406 18.009 ( 3.960 -9.730 1.374) 10.594 18.336 ( -3.053 -6.839 -3.226) 8.155 18.476 ( 0.336 -9.344 2.671) 9.724 18.584 ( -1.884 -9.729 5.439) 11.304 18.738 ( 1.973 -12.747 -1.679) 13.007 18.912 ( -1.577 -12.666 -2.331) 12.975 ======================= Grid point 107 (42/81) ======================= q-point: ( 0.40 0.24 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 12.368 25.312 2.443) 28.278 3.475 ( 20.451 16.001 4.323) 26.324 3.674 ( -11.919 18.857 1.612) 22.366 3.955 ( -13.616 10.749 -3.294) 17.657 4.100 ( -2.117 15.535 -3.973) 16.174 4.237 ( -7.349 12.188 -6.202) 15.525 4.395 ( 14.453 8.450 -6.998) 18.145 4.553 ( 8.383 5.137 10.996) 14.751 4.782 ( -11.434 10.859 -9.055) 18.184 4.798 ( -7.484 2.846 -0.218) 8.009 5.156 ( 2.544 5.980 4.506) 7.908 5.206 ( -2.496 9.913 1.493) 10.331 5.463 ( 11.489 10.935 0.523) 15.870 5.718 ( -4.271 17.327 -0.248) 17.847 5.778 ( 3.758 16.746 -0.778) 17.180 5.857 ( 3.786 18.424 -8.085) 20.473 6.072 ( 1.473 16.013 7.394) 17.699 6.081 ( 3.106 17.128 9.663) 19.909 6.277 ( 0.966 15.964 9.783) 18.748 6.396 ( -7.297 18.398 4.522) 20.302 6.584 ( -4.093 11.586 -2.547) 12.549 6.698 ( -11.755 8.726 -6.146) 15.878 7.151 ( 2.864 21.525 -9.338) 23.637 7.191 ( -1.152 23.469 -8.710) 25.059 7.414 ( 5.052 33.336 4.939) 34.076 7.620 ( -11.897 27.298 1.535) 29.818 7.879 ( 5.892 32.240 -3.905) 33.006 7.896 ( 5.431 10.988 -5.754) 13.540 7.974 ( 1.196 3.703 -6.239) 7.353 8.057 ( -1.756 7.547 -3.991) 8.716 8.138 ( -0.615 14.570 -1.639) 14.674 8.163 ( -4.448 22.774 -0.560) 23.211 8.352 ( 2.550 5.102 6.989) 9.021 8.411 ( -3.152 11.029 3.636) 12.033 8.690 ( 2.767 -8.666 8.315) 12.324 8.728 ( -0.021 -3.826 6.876) 7.869 8.874 ( 3.981 -5.799 -2.017) 7.318 8.907 ( 1.426 -5.976 -2.541) 6.649 9.107 ( 4.754 -3.955 -3.151) 6.940 9.161 ( -0.053 -8.575 -3.669) 9.327 9.793 ( -0.096 -4.609 4.690) 6.577 9.827 ( -3.045 -5.538 0.660) 6.354 10.116 ( 4.752 -1.505 -4.912) 6.998 10.220 ( -3.691 -2.292 -3.471) 5.561 10.496 ( 8.898 -5.510 2.489) 10.758 10.612 ( 13.290 -3.389 -0.642) 13.730 10.753 ( -12.254 -2.472 4.790) 13.387 10.968 ( -15.524 -0.461 -1.248) 15.581 11.179 ( 5.634 0.742 2.167) 6.081 11.316 ( -3.446 6.870 1.232) 7.784 11.468 ( 6.777 0.836 -1.210) 6.935 11.672 ( -6.113 8.352 0.447) 10.360 11.791 ( 1.346 5.979 9.797) 11.556 11.828 ( -4.303 3.058 8.285) 9.824 12.073 ( 6.893 17.139 -0.162) 18.474 12.198 ( -0.186 13.683 4.222) 14.321 12.518 ( -0.691 13.011 -4.773) 13.876 12.631 ( -6.839 11.108 -0.036) 13.045 12.921 ( 6.989 3.160 -3.171) 8.299 13.098 ( -4.772 2.355 -1.170) 5.448 13.246 ( 5.669 1.160 -9.266) 10.925 13.377 ( -2.875 1.514 -9.123) 9.684 13.744 ( 11.576 15.688 2.316) 19.634 13.808 ( 4.225 19.485 1.412) 19.988 14.057 ( 3.516 9.644 5.304) 11.555 14.193 ( -10.021 10.492 -2.023) 14.649 14.456 ( -6.883 5.647 -0.080) 8.903 14.511 ( -9.634 6.815 1.928) 11.957 15.416 ( 7.964 9.935 3.744) 13.272 15.541 ( -2.389 10.203 1.062) 10.533 16.182 ( 5.654 -5.284 -0.117) 7.740 16.208 ( 5.099 -8.115 0.643) 9.605 16.389 ( -2.742 9.630 -3.481) 10.600 16.458 ( -7.794 3.843 -3.969) 9.553 17.437 ( 3.270 -4.242 -6.870) 8.711 17.500 ( -1.832 -3.301 -7.912) 8.767 17.844 ( 0.647 -7.609 7.413) 10.643 17.880 ( -2.368 -8.370 8.856) 12.414 18.127 ( 6.140 -8.240 -0.956) 10.320 18.251 ( -4.763 -7.221 -2.239) 8.936 18.492 ( 1.181 -8.673 3.513) 9.432 18.532 ( -2.448 -8.694 4.687) 10.176 18.795 ( 3.049 -12.322 -2.525) 12.942 18.862 ( -2.851 -12.298 -2.648) 12.898 ======================= Grid point 110 (43/81) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 0.000 22.807 2.040) 22.898 3.610 ( 0.000 24.293 -4.863) 24.775 4.036 ( 0.000 15.146 1.953) 15.271 4.259 ( 0.000 13.241 -2.299) 13.439 4.315 ( 0.000 9.449 5.119) 10.746 4.413 ( 0.000 7.728 -10.857) 13.327 4.629 ( 0.000 -0.161 2.310) 2.315 4.752 ( 0.000 10.064 -2.260) 10.315 4.952 ( 0.000 1.401 7.404) 7.535 5.093 ( 0.000 2.162 -13.392) 13.565 5.161 ( 0.000 12.485 -3.836) 13.061 5.387 ( 0.000 -2.124 3.637) 4.211 5.588 ( 0.000 5.537 -2.502) 6.076 5.595 ( 0.000 13.108 9.272) 16.056 5.944 ( 0.000 -0.684 13.990) 14.007 6.063 ( 0.000 8.525 10.630) 13.626 6.288 ( 0.000 10.285 -6.338) 12.081 6.513 ( 0.000 24.755 3.233) 24.966 6.772 ( 0.000 16.185 -3.029) 16.466 6.813 ( 0.000 1.496 -3.570) 3.871 7.062 ( 0.000 1.030 -0.798) 1.303 7.160 ( 0.000 12.047 -4.959) 13.028 7.291 ( 0.000 -1.119 -7.832) 7.911 7.596 ( 0.000 8.378 -8.212) 11.732 7.646 ( 0.000 9.966 6.865) 12.102 7.746 ( 0.000 9.317 5.838) 10.995 7.941 ( 0.000 -9.779 4.944) 10.958 8.072 ( 0.000 -0.374 -7.884) 7.893 8.146 ( 0.000 8.579 -10.876) 13.853 8.166 ( 0.000 25.887 2.283) 25.987 8.314 ( 0.000 7.160 3.472) 7.958 8.481 ( 0.000 -3.364 -2.243) 4.043 8.537 ( 0.000 11.776 6.730) 13.563 8.658 ( 0.000 10.958 -1.013) 11.005 8.724 ( 0.000 13.137 -6.101) 14.484 8.725 ( 0.000 13.904 9.273) 16.712 9.001 ( 0.000 7.837 -3.520) 8.591 9.137 ( 0.000 28.414 0.833) 28.426 9.196 ( 0.000 28.360 1.483) 28.399 9.242 ( 0.000 28.096 -2.560) 28.212 9.779 ( 0.000 -6.767 1.131) 6.861 9.820 ( 0.000 0.710 3.099) 3.180 9.956 ( 0.000 0.406 -2.747) 2.777 10.111 ( 0.000 -2.791 -2.976) 4.080 10.420 ( 0.000 2.079 0.515) 2.142 10.468 ( 0.000 6.739 -0.452) 6.754 10.852 ( 0.000 -11.293 2.211) 11.507 11.109 ( 0.000 2.522 -6.756) 7.211 11.291 ( 0.000 7.309 9.968) 12.360 11.471 ( 0.000 0.402 -1.037) 1.112 11.571 ( 0.000 -5.793 2.750) 6.413 11.772 ( 0.000 6.151 15.627) 16.793 11.798 ( 0.000 -4.789 8.410) 9.678 11.932 ( 0.000 2.517 -2.651) 3.656 11.991 ( 0.000 1.178 6.169) 6.280 12.542 ( 0.000 8.805 -1.582) 8.946 12.572 ( 0.000 -0.055 -12.904) 12.904 12.857 ( 0.000 2.617 -9.703) 10.050 12.973 ( 0.000 6.992 5.583) 8.948 13.132 ( 0.000 -4.786 -4.295) 6.430 13.351 ( 0.000 6.128 -7.957) 10.043 13.454 ( 0.000 16.034 -3.964) 16.516 13.530 ( 0.000 11.593 -8.650) 14.464 13.858 ( 0.000 6.095 -10.576) 12.207 14.168 ( 0.000 10.315 24.976) 27.022 14.859 ( 0.000 8.424 5.178) 9.888 14.938 ( 0.000 13.467 5.570) 14.573 15.106 ( 0.000 -6.416 -2.508) 6.889 15.505 ( 0.000 14.201 -0.198) 14.202 15.673 ( 0.000 20.421 -1.686) 20.491 15.849 ( 0.000 -0.575 -0.211) 0.612 15.900 ( 0.000 -9.847 -2.089) 10.066 16.588 ( 0.000 7.367 2.327) 7.725 16.659 ( 0.000 -3.151 -2.218) 3.853 17.323 ( 0.000 -2.175 -9.892) 10.129 17.490 ( 0.000 -1.413 -8.723) 8.836 17.696 ( 0.000 -7.800 1.749) 7.994 17.716 ( 0.000 -11.207 0.242) 11.210 17.826 ( 0.000 -5.948 12.768) 14.085 18.238 ( 0.000 -7.315 -3.013) 7.911 18.276 ( 0.000 -9.833 1.774) 9.992 18.401 ( 0.000 -10.180 3.854) 10.885 18.461 ( 0.000 -12.511 0.451) 12.519 18.687 ( 0.000 -11.609 -1.867) 11.758 ======================= Grid point 111 (44/81) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 7.559 20.490 2.039) 21.935 3.679 ( 5.671 23.736 -3.119) 24.602 4.072 ( 1.808 13.739 -0.370) 13.863 4.288 ( 0.612 9.409 1.312) 9.519 4.362 ( 3.403 7.300 1.479) 8.189 4.368 ( -0.620 12.183 -8.180) 14.688 4.548 ( -8.682 3.036 2.053) 9.424 4.713 ( -1.407 10.708 0.003) 10.800 4.954 ( -4.206 3.198 -1.826) 5.590 5.040 ( 5.504 4.938 -0.820) 7.440 5.222 ( -4.401 8.026 -9.379) 13.106 5.364 ( -2.150 -0.397 0.179) 2.193 5.558 ( 2.496 7.413 9.325) 12.171 5.641 ( 4.942 6.122 0.465) 7.882 5.943 ( 1.966 1.763 8.304) 8.713 6.153 ( -4.427 3.235 -3.599) 6.558 6.251 ( 4.683 11.104 7.540) 14.216 6.508 ( -1.296 19.582 1.082) 19.655 6.632 ( -7.754 9.455 4.518) 13.036 6.786 ( -2.516 14.246 4.092) 15.034 6.980 ( -9.526 7.924 -1.782) 12.518 7.201 ( 5.353 5.411 -12.549) 14.677 7.269 ( -1.759 9.635 -4.131) 10.630 7.612 ( 1.840 16.129 -6.573) 17.514 7.759 ( 4.640 2.353 7.249) 8.923 7.808 ( 4.560 6.079 4.699) 8.935 7.915 ( 1.729 -1.407 -5.940) 6.345 8.045 ( -2.323 9.512 -7.912) 12.589 8.142 ( 0.604 4.099 -5.223) 6.667 8.252 ( 4.104 10.937 -0.825) 11.711 8.351 ( 3.597 5.683 6.061) 9.054 8.525 ( 2.154 -1.014 -0.528) 2.439 8.569 ( 1.079 20.362 2.889) 20.594 8.594 ( -0.976 2.360 5.033) 5.644 8.656 ( -3.520 12.180 -1.114) 12.728 8.807 ( 3.058 12.305 4.155) 13.343 8.972 ( -2.475 16.270 -3.158) 16.758 9.148 ( 2.420 21.426 -3.068) 21.780 9.177 ( -2.722 32.076 1.138) 32.211 9.270 ( 1.893 22.716 -2.018) 22.884 9.763 ( -1.486 -4.417 2.748) 5.410 9.794 ( -2.120 -1.764 3.332) 4.326 9.971 ( 2.054 -1.252 -3.245) 4.039 10.162 ( 3.281 -2.517 -3.203) 5.231 10.362 ( -2.603 -0.409 1.372) 2.971 10.481 ( 1.980 6.410 -1.142) 6.805 10.933 ( 4.253 -6.661 2.528) 8.298 11.085 ( -10.078 1.885 4.968) 11.393 11.242 ( 1.470 1.841 -3.871) 4.532 11.334 ( -6.419 -0.051 -3.585) 7.352 11.487 ( -4.465 -3.354 4.775) 7.348 11.770 ( -2.738 -3.946 7.923) 9.265 11.803 ( 2.537 3.297 16.804) 17.312 11.995 ( 1.814 5.052 -2.335) 5.853 12.140 ( 9.635 2.898 3.799) 10.754 12.382 ( -4.630 10.498 3.719) 12.062 12.712 ( 6.286 4.210 -10.115) 12.631 12.857 ( 2.233 3.830 -10.675) 11.559 13.015 ( -8.373 0.326 -5.074) 9.796 13.080 ( 2.538 5.262 -3.598) 6.861 13.383 ( 2.987 0.732 -4.246) 5.243 13.410 ( -1.339 11.616 -8.549) 14.485 13.653 ( 9.199 11.362 -0.767) 14.639 13.959 ( 7.654 7.360 -6.818) 12.619 14.143 ( -0.133 9.979 19.683) 22.069 14.694 ( -12.096 10.136 6.247) 16.973 14.827 ( -13.801 0.369 -3.398) 14.218 14.941 ( -9.544 10.242 1.125) 14.045 15.464 ( -0.196 5.992 5.560) 8.177 15.767 ( -1.334 9.405 -0.700) 9.525 15.948 ( 12.069 3.709 -1.186) 12.682 15.962 ( 5.331 -4.077 -1.429) 6.862 16.585 ( -2.730 3.139 -1.928) 4.585 16.631 ( -0.691 3.578 -1.114) 3.810 17.331 ( 1.022 -2.246 -8.532) 8.881 17.477 ( -1.079 -2.289 -7.440) 7.859 17.689 ( -0.368 -7.959 2.811) 8.449 17.744 ( 0.717 -9.456 2.322) 9.764 17.847 ( 3.107 -6.720 8.923) 11.594 18.188 ( -3.350 -8.068 -1.112) 8.806 18.298 ( 1.167 -8.635 0.816) 8.751 18.392 ( -0.929 -9.627 4.213) 10.549 18.490 ( 2.483 -12.285 -0.960) 12.570 18.674 ( -1.296 -11.473 -2.008) 11.719 ======================= Grid point 112 (45/81) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( 13.805 14.489 1.703) 20.085 3.829 ( 7.357 20.637 -1.073) 21.936 4.017 ( -6.136 15.793 -0.331) 16.946 4.142 ( -14.497 9.011 0.910) 17.093 4.385 ( 1.544 11.089 0.659) 11.215 4.423 ( 0.359 7.671 -1.228) 7.777 4.528 ( 9.874 5.969 -2.771) 11.866 4.715 ( -1.142 10.291 3.996) 11.098 4.849 ( -3.000 3.728 -5.928) 7.618 4.977 ( -10.242 8.993 -6.757) 15.213 5.237 ( 6.333 3.923 1.508) 7.601 5.334 ( -1.946 4.939 -3.108) 6.151 5.619 ( 7.073 5.005 2.547) 9.031 5.850 ( -4.288 -0.497 2.517) 4.997 5.897 ( 4.667 2.233 -2.145) 5.601 6.060 ( -1.328 2.534 -2.927) 4.093 6.290 ( -0.559 5.692 10.420) 11.886 6.418 ( -8.734 8.399 -0.294) 12.121 6.585 ( 6.663 12.838 11.382) 18.406 6.744 ( -5.345 18.471 12.041) 22.688 6.874 ( 3.663 19.103 -3.754) 19.810 7.049 ( -9.768 22.576 -5.533) 25.213 7.438 ( 8.331 3.920 -8.635) 12.623 7.581 ( -4.497 9.690 -7.431) 13.013 7.836 ( 3.096 7.221 -0.734) 7.890 7.870 ( 0.514 4.258 -3.637) 5.623 7.997 ( 2.605 4.266 -5.819) 7.671 8.033 ( -0.213 7.473 -4.532) 8.742 8.167 ( 3.846 11.105 -0.658) 11.770 8.266 ( -3.004 9.236 -0.191) 9.714 8.461 ( 5.140 1.015 6.745) 8.541 8.534 ( 0.013 7.850 -2.087) 8.123 8.554 ( -0.396 2.330 5.926) 6.380 8.573 ( -3.319 19.138 -0.955) 19.447 8.692 ( 5.265 0.985 4.732) 7.148 8.795 ( -3.731 1.908 6.486) 7.722 8.979 ( 3.422 30.295 -3.458) 30.683 9.078 ( -5.028 29.565 -0.106) 29.990 9.233 ( 3.757 19.045 -4.343) 19.892 9.286 ( -0.769 19.261 -2.894) 19.493 9.728 ( -0.964 -2.013 5.064) 5.534 9.741 ( -2.017 -2.327 3.350) 4.551 10.056 ( 4.812 -3.729 -4.298) 7.452 10.154 ( -3.735 -4.387 -4.185) 7.121 10.435 ( 9.225 -0.091 3.495) 9.865 10.604 ( 8.207 2.630 -0.852) 8.660 10.726 ( -12.158 0.039 3.699) 12.709 10.942 ( -16.789 -1.587 -1.982) 16.980 11.151 ( 8.355 -2.511 4.163) 9.667 11.339 ( -7.833 -2.400 4.296) 9.250 11.530 ( 10.977 3.186 -4.960) 12.460 11.709 ( -4.180 -3.788 5.169) 7.651 11.859 ( 2.605 2.760 12.371) 12.940 11.942 ( -5.252 6.803 -2.157) 8.861 12.305 ( 8.666 6.347 4.588) 11.681 12.423 ( 1.083 9.432 7.265) 11.955 12.727 ( -1.766 8.770 -6.817) 11.247 12.801 ( -8.784 5.311 -4.883) 11.367 13.019 ( 9.840 4.974 -9.746) 14.716 13.139 ( 2.509 1.097 -6.313) 6.881 13.328 ( -2.879 4.965 -9.137) 10.790 13.396 ( -4.873 4.126 -3.794) 7.428 13.971 ( 18.152 7.842 3.484) 20.078 14.108 ( 7.751 9.975 0.601) 12.647 14.268 ( 5.979 9.985 6.403) 13.283 14.386 ( -13.759 8.978 3.566) 16.811 14.506 ( -11.481 -0.854 -1.748) 11.645 14.652 ( -14.352 7.669 -0.244) 16.275 15.541 ( 5.880 2.342 6.391) 8.995 15.676 ( -5.764 3.404 2.872) 7.284 16.092 ( 6.509 -0.268 0.919) 6.579 16.166 ( 3.105 3.347 0.759) 4.628 16.520 ( 0.239 4.373 -6.576) 7.901 16.595 ( -3.644 7.810 -5.316) 10.126 17.377 ( 2.973 -2.296 -5.802) 6.912 17.441 ( -2.405 -2.713 -5.714) 6.767 17.690 ( 0.682 -7.756 4.776) 9.134 17.721 ( -1.902 -7.681 6.366) 10.156 17.967 ( 6.565 -7.993 1.950) 10.526 18.098 ( -5.033 -8.184 -0.117) 9.609 18.325 ( 1.382 -8.232 1.901) 8.561 18.360 ( -1.736 -8.622 3.463) 9.452 18.558 ( 3.445 -11.620 -2.037) 12.289 18.629 ( -2.761 -11.330 -2.210) 11.869 ======================= Grid point 115 (46/81) ======================= q-point: ( 0.00 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.828 ( 0.000 16.194 0.190) 16.195 4.005 ( 0.000 15.772 -7.062) 17.280 4.287 ( 0.000 9.994 6.333) 11.832 4.482 ( 0.000 7.746 -0.442) 7.759 4.522 ( 0.000 11.448 1.206) 11.511 4.592 ( 0.000 6.855 -2.168) 7.190 4.632 ( 0.000 5.099 -3.689) 6.294 4.947 ( 0.000 8.558 -5.584) 10.219 4.985 ( 0.000 2.641 9.069) 9.446 5.146 ( 0.000 3.589 -4.106) 5.453 5.334 ( 0.000 -2.055 0.049) 2.056 5.365 ( 0.000 7.456 0.880) 7.508 5.645 ( 0.000 1.321 -1.184) 1.774 5.848 ( 0.000 13.258 1.329) 13.324 5.896 ( 0.000 -3.150 13.629) 13.988 6.085 ( 0.000 -5.154 -0.948) 5.240 6.384 ( 0.000 1.757 -3.975) 4.346 6.718 ( 0.000 -0.622 -5.886) 5.919 6.814 ( 0.000 -3.817 7.661) 8.560 6.948 ( 0.000 -3.411 -10.361) 10.908 7.118 ( 0.000 7.738 8.328) 11.368 7.151 ( 0.000 -8.053 -12.509) 14.877 7.335 ( 0.000 5.145 5.486) 7.521 7.681 ( 0.000 -11.049 7.195) 13.185 7.721 ( 0.000 2.338 0.304) 2.358 7.820 ( 0.000 3.142 -6.292) 7.032 7.991 ( 0.000 12.859 2.699) 13.139 8.047 ( 0.000 3.724 -2.027) 4.240 8.298 ( 0.000 3.179 -1.786) 3.646 8.384 ( 0.000 13.515 -11.948) 18.039 8.577 ( 0.000 10.783 0.363) 10.789 8.676 ( 0.000 19.272 3.855) 19.654 8.689 ( 0.000 7.436 2.922) 7.989 8.929 ( 0.000 14.159 -3.010) 14.475 9.012 ( 0.000 13.821 14.570) 20.083 9.089 ( 0.000 19.100 1.673) 19.173 9.386 ( 0.000 27.073 -5.321) 27.591 9.479 ( 0.000 4.682 -1.780) 5.009 9.661 ( 0.000 14.441 -1.529) 14.522 9.663 ( 0.000 0.026 3.455) 3.455 9.763 ( 0.000 19.669 -0.320) 19.671 10.016 ( 0.000 17.270 0.983) 17.298 10.021 ( 0.000 3.993 -2.330) 4.623 10.070 ( 0.000 1.423 -0.766) 1.615 10.494 ( 0.000 5.791 1.042) 5.884 10.617 ( 0.000 3.242 0.718) 3.321 10.691 ( 0.000 1.129 3.694) 3.863 11.160 ( 0.000 3.063 -8.265) 8.815 11.375 ( 0.000 -8.700 -1.853) 8.895 11.402 ( 0.000 -9.582 -1.417) 9.686 11.454 ( 0.000 7.864 9.382) 12.242 11.690 ( 0.000 -5.424 9.419) 10.869 11.823 ( 0.000 -0.381 17.317) 17.321 11.963 ( 0.000 0.190 -2.386) 2.393 12.066 ( 0.000 6.190 1.343) 6.334 12.541 ( 0.000 -1.213 -9.905) 9.979 12.668 ( 0.000 4.411 -10.515) 11.402 12.935 ( 0.000 5.605 2.188) 6.017 13.018 ( 0.000 -6.709 -6.464) 9.316 13.097 ( 0.000 4.586 0.547) 4.619 13.441 ( 0.000 3.241 -12.712) 13.118 13.701 ( 0.000 8.162 -9.651) 12.639 13.715 ( 0.000 6.390 -4.022) 7.551 13.982 ( 0.000 7.258 -5.239) 8.951 14.390 ( 0.000 11.421 19.134) 22.283 14.794 ( 0.000 -16.709 2.334) 16.871 15.067 ( 0.000 6.722 8.043) 10.483 15.153 ( 0.000 8.753 10.933) 14.005 15.711 ( 0.000 6.705 0.844) 6.758 15.719 ( 0.000 -8.235 -3.552) 8.968 15.952 ( 0.000 8.686 -1.116) 8.757 16.045 ( 0.000 17.320 -3.027) 17.582 16.592 ( 0.000 -3.992 -1.051) 4.128 16.736 ( 0.000 7.452 -1.729) 7.650 17.246 ( 0.000 -6.007 -8.417) 10.340 17.454 ( 0.000 -2.204 -8.043) 8.340 17.522 ( 0.000 -7.951 1.559) 8.102 17.552 ( 0.000 -6.739 0.071) 6.740 17.728 ( 0.000 -4.089 10.406) 11.181 18.073 ( 0.000 -9.781 0.369) 9.788 18.097 ( 0.000 -8.040 1.385) 8.159 18.207 ( 0.000 -9.851 -1.542) 9.971 18.256 ( 0.000 -7.142 3.782) 8.082 18.478 ( 0.000 -9.560 -1.614) 9.695 ======================= Grid point 116 (47/81) ======================= q-point: ( 0.20 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( 4.924 15.529 0.267) 16.293 4.060 ( 4.467 14.829 -6.491) 16.792 4.315 ( 1.481 10.593 4.128) 11.465 4.440 ( -1.355 6.463 -0.250) 6.609 4.494 ( -3.519 6.909 3.197) 8.387 4.575 ( -2.842 1.630 1.963) 3.820 4.631 ( 0.498 11.684 -6.747) 13.501 4.941 ( 1.859 10.793 -5.241) 12.141 4.988 ( -3.001 1.978 2.978) 4.667 5.157 ( 2.824 6.098 0.180) 6.723 5.289 ( -2.888 0.058 0.624) 2.955 5.436 ( 1.891 6.717 -4.092) 8.089 5.644 ( 4.082 2.228 5.437) 7.155 5.745 ( -4.526 3.938 3.385) 6.888 5.967 ( 2.046 2.901 3.823) 5.217 6.103 ( -1.807 -6.105 -3.106) 7.084 6.361 ( -0.640 1.475 2.412) 2.899 6.670 ( -5.093 -0.840 8.940) 10.323 6.700 ( -5.758 1.069 -2.225) 6.264 7.046 ( 3.533 -0.687 -11.057) 11.628 7.065 ( 3.310 -2.885 -7.492) 8.684 7.180 ( 0.522 7.448 9.616) 12.174 7.402 ( 1.621 -2.933 -6.554) 7.361 7.749 ( 6.312 -9.567 1.469) 11.555 7.790 ( 5.600 1.158 0.899) 5.789 7.836 ( -3.092 8.502 1.901) 9.245 7.979 ( 1.452 7.804 -2.642) 8.366 8.051 ( 1.722 3.021 0.881) 3.587 8.344 ( 3.980 5.441 -2.014) 7.035 8.393 ( 1.128 12.489 -8.369) 15.076 8.563 ( -1.410 10.049 -0.380) 10.154 8.623 ( -3.097 12.333 0.360) 12.721 8.718 ( 0.855 12.690 5.852) 14.001 8.915 ( -1.330 13.655 -2.112) 13.881 8.983 ( -1.599 14.167 9.872) 17.342 9.058 ( -3.944 15.618 4.521) 16.731 9.407 ( 3.037 23.228 -3.161) 23.638 9.525 ( 3.243 10.221 -2.950) 11.121 9.645 ( -0.470 2.095 0.300) 2.168 9.683 ( 0.646 14.338 -0.964) 14.385 9.757 ( -0.791 19.304 2.119) 19.436 9.945 ( -3.002 15.096 1.144) 15.435 10.027 ( -0.631 8.708 -0.906) 8.778 10.098 ( 0.190 -4.268 -3.157) 5.312 10.416 ( -1.072 7.181 3.543) 8.079 10.641 ( 0.590 8.842 -2.651) 9.249 10.827 ( 8.671 -3.119 4.696) 10.342 11.135 ( -11.780 1.997 -0.024) 11.948 11.203 ( -11.597 -5.070 -2.392) 12.881 11.297 ( 1.866 -2.748 -1.993) 3.874 11.437 ( 0.821 -1.309 3.942) 4.234 11.655 ( -3.733 -6.129 9.147) 11.627 11.841 ( 2.616 1.133 13.868) 14.158 12.104 ( 2.614 6.184 -0.773) 6.758 12.201 ( 12.290 2.803 -1.419) 12.686 12.492 ( -0.722 1.045 -2.219) 2.557 12.768 ( 7.167 2.703 -12.508) 14.667 12.923 ( -0.085 4.235 -2.322) 4.831 13.001 ( -1.387 -2.104 -5.024) 5.621 13.159 ( 1.644 2.489 -2.297) 3.765 13.391 ( -2.959 0.966 -10.356) 10.814 13.627 ( -1.104 7.974 -9.259) 12.269 13.833 ( 5.405 6.518 0.184) 8.469 14.072 ( 8.148 4.949 -5.567) 11.040 14.339 ( -3.136 9.010 16.080) 18.697 14.669 ( -10.309 -13.550 2.779) 17.251 14.860 ( -12.836 7.119 7.516) 16.490 15.154 ( -10.413 9.717 0.935) 14.273 15.473 ( -2.431 -2.609 7.690) 8.476 15.872 ( -2.905 4.240 -1.795) 5.444 15.967 ( 6.724 4.227 1.644) 8.111 16.179 ( 9.220 13.797 -1.721) 16.683 16.561 ( -2.140 -2.929 -2.309) 4.300 16.767 ( 1.395 7.422 -3.681) 8.401 17.260 ( 1.591 -5.609 -7.888) 9.809 17.424 ( -1.719 -3.124 -5.897) 6.891 17.543 ( 0.275 -6.430 1.936) 6.721 17.584 ( 2.708 -6.371 -1.477) 7.078 17.737 ( 1.396 -4.562 10.188) 11.250 18.023 ( -3.157 -8.752 1.442) 9.415 18.132 ( 1.657 -8.353 0.765) 8.550 18.224 ( 0.338 -7.297 0.873) 7.356 18.268 ( 2.130 -9.578 0.785) 9.843 18.466 ( -1.194 -9.550 -1.704) 9.774 ======================= Grid point 117 (48/81) ======================= q-point: ( 0.40 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 8.633 12.198 0.179) 14.945 4.155 ( 1.999 12.123 -4.105) 12.954 4.296 ( -2.456 12.857 -0.740) 13.110 4.324 ( -8.067 9.252 1.508) 12.368 4.490 ( 4.052 3.171 3.360) 6.145 4.549 ( -0.896 3.001 3.082) 4.394 4.675 ( 4.594 7.997 -5.215) 10.595 4.837 ( -8.736 2.131 -2.175) 9.252 5.015 ( 3.778 11.696 -2.999) 12.652 5.122 ( -5.883 5.691 -2.913) 8.688 5.345 ( 7.545 7.385 0.907) 10.596 5.460 ( -1.213 8.096 -3.756) 9.007 5.684 ( 2.203 2.305 3.773) 4.940 5.787 ( 0.391 -4.513 7.480) 8.745 5.930 ( 0.394 1.519 -2.179) 2.685 6.048 ( -3.973 -2.431 1.031) 4.771 6.342 ( 1.243 1.275 5.210) 5.506 6.465 ( -8.566 -0.755 2.485) 8.951 6.783 ( 8.225 6.129 6.503) 12.145 6.971 ( -7.765 5.198 5.675) 10.933 7.172 ( 6.135 0.211 -12.009) 13.487 7.274 ( -0.078 -3.712 -11.668) 12.245 7.426 ( 6.242 1.169 -1.195) 6.462 7.649 ( -11.118 6.401 2.004) 12.985 7.882 ( 3.918 -0.623 -1.851) 4.377 7.896 ( 2.621 -1.779 -1.887) 3.687 8.073 ( 4.229 4.713 0.553) 6.356 8.103 ( 1.658 0.494 1.011) 2.004 8.435 ( 2.962 13.916 -2.925) 14.525 8.460 ( 5.271 6.361 -2.308) 8.577 8.509 ( -3.247 9.054 -0.418) 9.628 8.553 ( -3.128 8.876 -1.226) 9.490 8.746 ( 2.705 13.114 5.769) 14.580 8.852 ( -5.348 12.717 2.418) 14.006 8.948 ( -1.181 10.853 6.300) 12.604 8.963 ( -2.470 14.029 2.608) 14.482 9.508 ( 5.206 19.492 -2.060) 20.280 9.594 ( 0.684 16.466 -1.703) 16.568 9.613 ( -0.312 8.127 -0.878) 8.180 9.679 ( -2.727 18.367 0.978) 18.594 9.766 ( 3.580 12.065 0.968) 12.622 9.867 ( -4.464 15.961 1.168) 16.614 10.039 ( 1.243 4.874 -2.052) 5.432 10.066 ( -1.592 -2.946 -2.314) 4.070 10.507 ( 8.386 7.513 2.680) 11.574 10.692 ( 3.762 5.582 -1.911) 6.997 10.760 ( -11.165 3.281 1.207) 11.700 10.911 ( -12.885 -1.802 -2.006) 13.165 11.096 ( 8.493 -2.801 6.770) 11.216 11.274 ( -6.318 -3.684 6.786) 9.977 11.533 ( 5.582 -2.858 -1.277) 6.400 11.596 ( -1.238 -6.409 6.614) 9.293 11.929 ( 5.578 4.819 4.071) 8.421 12.075 ( -5.846 6.931 -4.818) 10.268 12.380 ( 7.908 2.910 1.816) 8.620 12.532 ( -2.287 1.284 3.828) 4.640 12.858 ( 1.578 4.379 -6.648) 8.115 12.900 ( -2.787 5.016 -7.121) 9.146 13.083 ( 8.339 3.282 -5.962) 10.763 13.173 ( 1.700 2.391 -6.643) 7.261 13.350 ( 1.007 -0.794 -7.525) 7.634 13.531 ( -9.624 5.271 -6.843) 12.932 14.068 ( 16.041 0.590 0.813) 16.072 14.226 ( 6.265 4.821 3.872) 8.803 14.396 ( -4.392 -7.974 -1.597) 9.242 14.408 ( -3.055 2.738 7.939) 8.936 14.554 ( -10.296 7.566 5.045) 13.737 14.786 ( -17.528 5.104 0.318) 18.259 15.573 ( 7.484 2.903 7.323) 10.866 15.743 ( -7.422 4.859 2.669) 9.264 16.136 ( 7.753 2.645 3.374) 8.860 16.275 ( -2.981 5.196 3.676) 7.028 16.591 ( 6.377 3.612 -7.932) 10.799 16.735 ( -4.719 6.578 -7.242) 10.862 17.319 ( 3.345 -4.489 -6.411) 8.511 17.383 ( -2.270 -3.614 -5.661) 7.089 17.559 ( 1.405 -4.893 2.937) 5.877 17.596 ( -1.428 -4.379 2.575) 5.277 17.818 ( 5.459 -6.982 5.374) 10.365 17.936 ( -4.796 -8.153 2.694) 9.835 18.169 ( 1.768 -7.512 1.210) 7.811 18.206 ( -1.502 -6.684 2.181) 7.189 18.345 ( 3.956 -9.964 -1.707) 10.856 18.422 ( -2.855 -9.613 -1.858) 10.199 ======================= Grid point 120 (49/81) ======================= q-point: ( 0.00 0.41 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( 0.000 11.417 -0.008) 11.417 4.236 ( 0.000 8.013 -3.664) 8.811 4.430 ( 0.000 5.050 2.397) 5.589 4.582 ( 0.000 0.439 2.320) 2.362 4.613 ( 0.000 3.861 -3.597) 5.277 4.734 ( 0.000 9.077 -0.379) 9.085 4.827 ( 0.000 6.801 -2.029) 7.098 4.997 ( 0.000 -3.937 -5.652) 6.888 5.097 ( 0.000 9.728 7.622) 12.358 5.271 ( 0.000 9.225 2.482) 9.553 5.359 ( 0.000 4.621 -1.506) 4.860 5.456 ( 0.000 2.353 4.271) 4.877 5.642 ( 0.000 -2.491 0.904) 2.650 5.856 ( 0.000 0.267 8.989) 8.993 5.923 ( 0.000 -9.564 -5.868) 11.221 6.082 ( 0.000 6.954 -4.394) 8.226 6.413 ( 0.000 3.428 -1.078) 3.593 6.625 ( 0.000 -6.166 -4.703) 7.755 6.677 ( 0.000 -8.031 7.893) 11.260 6.900 ( 0.000 -1.498 -5.354) 5.559 7.036 ( 0.000 -3.275 -10.596) 11.091 7.080 ( 0.000 -7.530 -0.348) 7.538 7.339 ( 0.000 -5.585 1.314) 5.737 7.413 ( 0.000 -13.111 4.943) 14.011 7.846 ( 0.000 6.995 3.534) 7.837 7.885 ( 0.000 5.491 0.530) 5.517 8.160 ( 0.000 5.035 1.054) 5.144 8.197 ( 0.000 7.214 1.862) 7.451 8.459 ( 0.000 11.388 -3.163) 11.819 8.608 ( 0.000 8.719 -9.751) 13.081 8.779 ( 0.000 9.452 0.395) 9.460 8.843 ( 0.000 7.530 2.059) 7.806 9.026 ( 0.000 15.359 3.412) 15.734 9.167 ( 0.000 8.809 -0.794) 8.845 9.267 ( 0.000 11.115 11.170) 15.758 9.367 ( 0.000 8.819 5.562) 10.426 9.541 ( 0.000 3.505 0.484) 3.538 9.669 ( 0.000 3.263 2.294) 3.988 9.770 ( 0.000 3.711 -4.619) 5.925 9.885 ( 0.000 11.257 -3.984) 11.941 9.920 ( 0.000 -1.361 -0.525) 1.459 10.086 ( 0.000 11.442 -2.764) 11.771 10.265 ( 0.000 9.099 -0.367) 9.106 10.268 ( 0.000 6.366 -0.569) 6.392 10.660 ( 0.000 9.986 2.069) 10.198 10.670 ( 0.000 7.217 7.804) 10.630 10.820 ( 0.000 5.033 -0.188) 5.037 11.169 ( 0.000 -6.545 1.272) 6.667 11.196 ( 0.000 -7.806 -1.671) 7.983 11.252 ( 0.000 -1.572 -8.183) 8.332 11.591 ( 0.000 5.323 7.470) 9.173 11.621 ( 0.000 -0.707 9.389) 9.416 11.806 ( 0.000 -0.076 9.883) 9.884 11.938 ( 0.000 -2.395 -1.858) 3.031 12.216 ( 0.000 8.896 -0.285) 8.900 12.563 ( 0.000 3.730 -7.199) 8.108 12.737 ( 0.000 1.258 -9.163) 9.249 12.868 ( 0.000 -7.170 -8.053) 10.783 13.051 ( 0.000 5.464 -0.023) 5.464 13.157 ( 0.000 2.105 -3.821) 4.363 13.485 ( 0.000 1.539 -11.645) 11.746 13.768 ( 0.000 -0.794 -15.571) 15.592 13.793 ( 0.000 2.423 -3.065) 3.907 14.096 ( 0.000 0.064 -5.275) 5.275 14.492 ( 0.000 -8.533 16.576) 18.643 14.577 ( 0.000 6.555 16.184) 17.461 15.206 ( 0.000 6.839 4.791) 8.350 15.305 ( 0.000 7.396 14.276) 16.078 15.581 ( 0.000 -5.738 -4.668) 7.397 15.772 ( 0.000 -0.582 2.703) 2.765 16.119 ( 0.000 7.678 0.445) 7.691 16.352 ( 0.000 13.977 -3.988) 14.535 16.498 ( 0.000 -5.480 -0.766) 5.534 16.863 ( 0.000 4.076 -7.262) 8.328 17.112 ( 0.000 -5.381 -6.027) 8.079 17.400 ( 0.000 -3.565 -8.626) 9.333 17.410 ( 0.000 -3.722 4.244) 5.645 17.438 ( 0.000 -4.687 -0.442) 4.708 17.666 ( 0.000 -2.077 6.480) 6.805 17.869 ( 0.000 -10.123 5.075) 11.324 17.968 ( 0.000 -4.925 1.057) 5.037 18.035 ( 0.000 -7.194 -1.502) 7.349 18.168 ( 0.000 -2.348 1.203) 2.638 18.315 ( 0.000 -7.031 -1.399) 7.169 ======================= Grid point 121 (50/81) ======================= q-point: ( 0.20 0.41 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.142 ( 3.832 10.982 -0.099) 11.632 4.276 ( 3.297 7.689 -4.056) 9.297 4.450 ( 1.596 3.638 2.833) 4.879 4.551 ( -2.365 2.221 1.026) 3.403 4.598 ( -1.398 3.995 -1.915) 4.645 4.644 ( -5.257 7.753 0.464) 9.379 4.819 ( -1.765 5.490 -5.254) 7.801 4.952 ( -3.870 -3.265 -3.767) 6.311 5.169 ( 4.533 8.487 5.543) 11.104 5.277 ( -0.546 9.131 2.149) 9.397 5.363 ( 2.510 6.195 2.983) 7.319 5.524 ( 3.218 2.227 0.001) 3.914 5.634 ( 1.604 -3.229 4.549) 5.805 5.819 ( -1.383 4.554 1.503) 4.991 5.951 ( 0.484 -7.969 -0.369) 7.992 6.072 ( -1.610 4.026 -2.242) 4.881 6.390 ( -1.443 3.820 -0.466) 4.110 6.575 ( -7.081 -5.333 5.707) 10.543 6.680 ( 4.545 -5.210 -4.255) 8.118 6.942 ( 3.108 -2.166 -7.199) 8.135 6.998 ( 0.446 -6.190 -5.554) 8.329 7.158 ( 0.313 -7.101 -2.056) 7.399 7.313 ( -0.433 -5.896 0.130) 5.914 7.482 ( 5.282 -14.203 1.356) 15.213 7.889 ( 3.379 6.818 3.319) 8.301 7.954 ( 5.074 4.902 0.613) 7.082 8.141 ( -1.779 7.790 2.449) 8.357 8.212 ( 0.883 7.118 1.980) 7.441 8.470 ( 1.910 9.171 -1.207) 9.445 8.624 ( 1.634 8.852 -7.367) 11.632 8.749 ( -2.500 8.686 -0.226) 9.041 8.819 ( -2.207 8.119 1.777) 8.600 9.023 ( -0.053 14.833 2.498) 15.042 9.141 ( -2.135 8.501 -0.454) 8.777 9.235 ( -2.669 11.131 9.179) 14.672 9.299 ( -5.879 8.504 5.421) 11.673 9.576 ( 2.825 3.161 1.624) 4.540 9.653 ( 0.108 3.977 0.472) 4.006 9.794 ( 1.721 3.593 -3.676) 5.420 9.887 ( 0.220 2.882 -3.669) 4.670 9.986 ( 4.263 6.480 -0.486) 7.772 10.094 ( -0.165 11.385 -2.078) 11.574 10.221 ( -2.737 8.507 -0.206) 8.939 10.250 ( -0.763 9.956 -1.193) 10.056 10.631 ( 1.036 11.991 3.019) 12.409 10.790 ( 1.308 6.201 0.014) 6.337 10.821 ( 4.577 1.344 5.287) 7.121 11.074 ( -8.385 -5.131 -1.582) 9.957 11.092 ( -7.174 -6.297 -1.238) 9.626 11.317 ( 3.693 1.368 -2.737) 4.796 11.420 ( -6.842 1.286 8.781) 11.206 11.577 ( -4.685 -1.311 8.307) 9.626 11.871 ( 5.816 2.512 6.279) 8.920 12.197 ( 14.569 -2.342 -3.703) 15.214 12.260 ( 4.011 8.147 0.976) 9.133 12.510 ( -3.239 2.513 -6.653) 7.815 12.818 ( 5.504 1.733 -10.737) 12.190 12.915 ( 4.997 -6.227 -5.319) 9.593 13.034 ( -0.932 6.644 -1.531) 6.882 13.200 ( 1.728 2.366 -3.469) 4.541 13.418 ( -4.701 1.551 -10.022) 11.178 13.699 ( -2.352 -0.834 -11.769) 12.031 13.890 ( 3.325 -0.119 -5.576) 6.493 14.138 ( 4.881 -2.561 -7.043) 8.944 14.383 ( -7.961 -3.677 16.431) 18.624 14.521 ( -4.645 3.192 15.108) 16.125 14.985 ( -13.523 5.829 7.152) 16.371 15.264 ( -19.279 -0.089 -1.690) 19.353 15.479 ( 8.526 5.565 10.855) 14.883 15.918 ( 5.653 -0.844 -0.067) 5.716 16.072 ( -2.736 6.083 3.607) 7.583 16.406 ( -0.256 5.033 3.978) 6.420 16.508 ( 4.800 1.711 -8.172) 9.631 16.903 ( 1.813 5.609 -7.964) 9.908 17.120 ( 1.292 -7.095 -7.701) 10.551 17.354 ( -2.400 -4.134 -6.430) 8.012 17.454 ( 2.098 -2.625 2.870) 4.419 17.488 ( 4.069 -3.741 -0.608) 5.560 17.669 ( 0.261 -2.298 7.406) 7.759 17.847 ( -1.948 -8.807 5.336) 10.480 17.993 ( 1.943 -5.206 0.939) 5.635 18.075 ( 3.410 -7.180 -1.887) 8.169 18.154 ( -1.270 -2.788 1.189) 3.287 18.301 ( -1.289 -7.151 -1.479) 7.416 ======================= Grid point 122 (51/81) ======================= q-point: ( 0.40 0.41 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.248 ( 5.294 9.190 -0.416) 10.614 4.334 ( -0.457 7.024 -2.945) 7.630 4.460 ( 0.293 4.085 1.421) 4.335 4.517 ( -3.314 6.332 -0.841) 7.196 4.551 ( 1.873 5.005 0.340) 5.355 4.591 ( -1.075 2.940 0.109) 3.132 4.783 ( -0.352 2.533 -5.127) 5.729 4.841 ( -5.204 -1.464 -4.187) 6.838 5.215 ( 0.545 7.129 3.803) 8.099 5.239 ( -1.864 8.044 2.222) 8.551 5.503 ( 7.415 6.155 1.805) 9.804 5.574 ( 1.230 1.008 2.238) 2.746 5.690 ( 2.721 -0.723 5.146) 5.866 5.791 ( -3.447 7.323 2.059) 8.351 5.946 ( 1.053 -0.873 0.344) 1.410 6.009 ( -3.467 -0.317 0.852) 3.584 6.381 ( 1.119 3.220 -0.134) 3.411 6.443 ( -4.405 -0.604 1.187) 4.602 6.810 ( 6.881 -5.139 -2.000) 8.818 6.956 ( -5.360 -7.858 -2.318) 9.790 7.022 ( 4.035 -4.836 -7.134) 9.516 7.109 ( -3.520 -7.147 -4.597) 9.198 7.389 ( 7.166 -7.509 -3.582) 10.980 7.531 ( -3.007 -14.130 -3.477) 14.860 7.967 ( 3.473 8.200 3.554) 9.588 8.019 ( -0.484 9.877 2.396) 10.176 8.145 ( 3.211 4.496 4.505) 7.129 8.209 ( -1.622 5.368 2.764) 6.252 8.555 ( 5.292 6.394 0.024) 8.300 8.665 ( -2.713 7.791 -0.001) 8.250 8.690 ( 1.558 8.202 -3.015) 8.876 8.758 ( -3.066 9.121 0.503) 9.636 9.038 ( 1.973 13.809 1.506) 14.030 9.102 ( -1.273 10.424 0.578) 10.518 9.150 ( -4.644 9.676 5.527) 12.072 9.168 ( -3.881 8.546 4.693) 10.494 9.642 ( 2.717 2.930 1.242) 4.185 9.671 ( 0.382 3.975 0.034) 3.993 9.842 ( 2.802 1.209 -1.830) 3.558 9.894 ( -0.702 -0.099 -2.556) 2.653 10.028 ( 0.248 11.259 -0.491) 11.272 10.061 ( -2.147 13.174 -1.626) 13.446 10.217 ( 2.000 10.824 -0.967) 11.050 10.247 ( -0.201 10.531 -1.837) 10.692 10.694 ( 4.685 9.052 0.374) 10.200 10.779 ( 0.310 2.433 -1.096) 2.686 10.841 ( -5.962 3.685 -1.411) 7.150 10.872 ( -7.753 -1.402 -1.479) 8.017 11.065 ( 6.722 0.581 8.756) 11.054 11.235 ( -7.529 1.290 10.421) 12.921 11.439 ( 3.118 -6.283 2.102) 7.323 11.491 ( -2.476 -4.045 6.326) 7.906 12.045 ( 9.294 6.945 -1.025) 11.647 12.227 ( -5.619 8.747 -3.823) 11.077 12.451 ( 5.064 3.904 -2.787) 6.976 12.507 ( 1.621 -2.921 -4.616) 5.698 12.897 ( 2.799 0.106 -8.118) 8.587 12.978 ( -4.187 3.316 -2.432) 5.869 13.125 ( 11.651 -1.677 -1.351) 11.849 13.268 ( 4.702 7.759 -6.347) 11.072 13.332 ( -1.000 0.294 -7.008) 7.085 13.564 ( -11.628 -1.198 -11.524) 16.415 13.980 ( 5.869 -7.705 -4.706) 10.768 14.141 ( -7.723 -14.371 -0.938) 16.342 14.353 ( 7.636 7.126 9.124) 13.869 14.494 ( 4.133 3.810 9.605) 11.129 14.673 ( -11.758 4.737 6.837) 14.402 14.840 ( -17.352 0.527 2.666) 17.564 15.679 ( 9.275 7.556 7.139) 13.931 15.871 ( -7.565 7.657 2.287) 11.004 16.141 ( 7.222 -2.624 6.323) 9.951 16.304 ( -6.903 -2.516 5.737) 9.322 16.694 ( 9.319 7.034 -9.276) 14.912 16.864 ( -5.440 6.799 -9.059) 12.565 17.192 ( 4.645 -7.893 -9.145) 12.942 17.288 ( -3.733 -5.913 -8.556) 11.050 17.513 ( 2.830 -0.167 3.445) 4.462 17.550 ( 0.327 -0.761 2.029) 2.192 17.698 ( 3.138 -5.073 7.513) 9.593 17.784 ( -3.739 -7.192 6.082) 10.134 18.047 ( 2.825 -4.439 0.623) 5.298 18.107 ( -2.313 -3.319 0.601) 4.090 18.171 ( 4.189 -7.545 -1.607) 8.779 18.254 ( -3.042 -7.380 -1.659) 8.153 ======================= Grid point 125 (52/81) ======================= q-point: ( 0.00 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.272 ( 0.000 6.055 -0.194) 6.058 4.324 ( 0.000 0.896 -0.891) 1.264 4.506 ( 0.000 3.060 0.509) 3.102 4.556 ( 0.000 -2.019 1.261) 2.380 4.723 ( 0.000 6.576 -2.854) 7.168 4.857 ( 0.000 1.832 -2.668) 3.236 4.870 ( 0.000 -5.862 -1.392) 6.025 4.889 ( 0.000 0.549 -0.561) 0.785 5.325 ( 0.000 11.849 5.552) 13.085 5.427 ( 0.000 4.469 1.860) 4.841 5.473 ( 0.000 -0.555 3.887) 3.926 5.501 ( 0.000 8.509 0.628) 8.532 5.534 ( 0.000 -6.390 2.890) 7.013 5.721 ( 0.000 -10.820 -4.175) 11.598 5.925 ( 0.000 6.200 2.322) 6.621 6.063 ( 0.000 -6.475 -1.440) 6.633 6.539 ( 0.000 -1.973 -3.077) 3.655 6.553 ( 0.000 -1.979 1.403) 2.426 6.581 ( 0.000 9.678 -3.945) 10.451 6.795 ( 0.000 -9.848 -3.099) 10.324 7.017 ( 0.000 2.377 -2.253) 3.275 7.028 ( 0.000 2.022 -4.588) 5.013 7.191 ( 0.000 -7.164 -0.742) 7.203 7.194 ( 0.000 -8.268 2.409) 8.611 7.954 ( 0.000 3.443 3.421) 4.854 7.969 ( 0.000 1.988 2.691) 3.345 8.241 ( 0.000 3.096 3.260) 4.496 8.270 ( 0.000 0.599 2.575) 2.644 8.655 ( 0.000 7.207 -5.472) 9.049 8.713 ( 0.000 1.503 -7.767) 7.911 8.922 ( 0.000 4.554 0.941) 4.650 8.946 ( 0.000 2.215 1.757) 2.827 9.253 ( 0.000 6.849 5.192) 8.595 9.278 ( 0.000 3.102 5.024) 5.905 9.422 ( 0.000 4.899 5.846) 7.627 9.483 ( 0.000 0.487 2.398) 2.447 9.572 ( 0.000 4.016 3.018) 5.023 9.707 ( 0.000 -8.071 -0.219) 8.074 9.784 ( 0.000 4.921 -0.803) 4.986 9.823 ( 0.000 -0.048 -0.969) 0.970 10.183 ( 0.000 9.924 -3.741) 10.606 10.243 ( 0.000 5.806 -3.331) 6.694 10.301 ( 0.000 -2.121 -2.213) 3.065 10.334 ( 0.000 -1.993 -3.288) 3.845 10.811 ( 0.000 4.520 2.897) 5.369 10.823 ( 0.000 4.204 5.952) 7.287 10.898 ( 0.000 5.715 2.129) 6.098 11.022 ( 0.000 -6.739 2.360) 7.140 11.112 ( 0.000 0.149 1.336) 1.344 11.194 ( 0.000 -5.506 -0.134) 5.507 11.653 ( 0.000 2.488 6.648) 7.098 11.665 ( 0.000 1.899 5.164) 5.502 11.832 ( 0.000 2.301 2.086) 3.106 11.885 ( 0.000 -2.810 -1.371) 3.126 12.409 ( 0.000 10.617 -2.073) 10.817 12.621 ( 0.000 -10.334 -3.301) 10.848 12.674 ( 0.000 6.763 -6.738) 9.547 12.789 ( 0.000 -3.943 -9.375) 10.170 13.157 ( 0.000 4.564 -6.055) 7.582 13.190 ( 0.000 0.871 -6.613) 6.670 13.530 ( 0.000 4.401 -9.413) 10.391 13.675 ( 0.000 -8.248 -14.590) 16.760 13.845 ( 0.000 3.574 -5.085) 6.215 13.956 ( 0.000 -8.379 -4.432) 9.479 14.524 ( 0.000 6.473 20.248) 21.258 14.621 ( 0.000 -2.076 18.035) 18.154 15.330 ( 0.000 5.689 2.804) 6.343 15.414 ( 0.000 -0.639 8.106) 8.131 15.536 ( 0.000 5.011 1.457) 5.219 15.690 ( 0.000 -7.306 5.881) 9.379 16.254 ( 0.000 6.395 0.655) 6.428 16.378 ( 0.000 -6.245 1.008) 6.326 16.603 ( 0.000 11.417 -7.924) 13.897 16.803 ( 0.000 -8.564 -10.150) 13.280 17.146 ( 0.000 7.177 -6.203) 9.486 17.297 ( 0.000 -7.027 -10.322) 12.486 17.366 ( 0.000 -0.873 4.743) 4.823 17.375 ( 0.000 -1.787 3.118) 3.594 17.652 ( 0.000 0.803 5.371) 5.430 17.710 ( 0.000 -5.499 6.681) 8.653 17.909 ( 0.000 -1.001 0.330) 1.054 17.931 ( 0.000 -3.265 -0.689) 3.337 18.155 ( 0.000 0.944 -0.265) 0.980 18.205 ( 0.000 -4.111 -1.026) 4.237 ======================= Grid point 126 (53/81) ======================= q-point: ( 0.20 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( 3.229 5.911 -0.271) 6.741 4.363 ( 3.256 0.840 -1.063) 3.527 4.502 ( -0.387 2.315 0.749) 2.464 4.543 ( -1.033 -1.597 1.333) 2.322 4.706 ( -1.238 6.029 -3.559) 7.110 4.782 ( -4.793 5.274 -1.451) 7.273 4.826 ( -2.767 -4.174 -4.530) 6.753 4.871 ( -2.979 -3.480 -2.212) 5.088 5.334 ( 0.181 8.233 7.929) 11.431 5.440 ( -1.612 0.647 4.610) 4.927 5.477 ( 1.817 6.236 3.139) 7.214 5.520 ( 0.468 -1.961 4.794) 5.201 5.600 ( 7.260 3.410 0.617) 8.045 5.761 ( 3.757 -9.676 -0.519) 10.393 5.945 ( 1.648 6.405 -0.137) 6.616 6.061 ( -0.650 -4.444 -1.486) 4.731 6.504 ( -3.043 0.692 -0.738) 3.207 6.549 ( -0.828 3.184 -4.223) 5.353 6.563 ( 0.313 1.167 -4.179) 4.350 6.778 ( -1.723 -11.729 -4.718) 12.759 7.028 ( 1.961 6.663 -2.086) 7.253 7.085 ( 1.626 0.132 -2.608) 3.076 7.174 ( -0.205 -6.406 -0.261) 6.415 7.227 ( 2.530 -11.217 0.220) 11.501 8.001 ( 3.966 3.805 3.160) 6.340 8.024 ( 4.590 1.478 2.121) 5.268 8.249 ( 0.242 3.507 3.999) 5.325 8.281 ( 0.513 0.460 2.817) 2.900 8.653 ( 0.269 7.517 -3.302) 8.215 8.723 ( 1.040 0.792 -5.713) 5.861 8.885 ( -3.129 4.632 1.334) 5.747 8.918 ( -2.431 1.568 1.837) 3.427 9.239 ( -0.847 5.981 3.645) 7.056 9.252 ( -1.895 3.406 3.939) 5.542 9.397 ( -2.361 5.220 5.256) 7.775 9.427 ( -4.817 3.244 3.662) 6.866 9.609 ( 3.333 3.236 2.199) 5.140 9.730 ( 2.111 -5.562 -0.868) 6.012 9.784 ( 0.201 2.084 -0.792) 2.238 9.822 ( -0.010 -0.643 -1.398) 1.538 10.208 ( 1.564 8.363 -3.147) 9.072 10.251 ( 0.191 5.301 -3.384) 6.292 10.303 ( 0.425 0.148 -2.219) 2.264 10.336 ( 0.209 -1.074 -3.443) 3.612 10.794 ( -0.691 3.944 1.514) 4.281 10.824 ( -1.611 -0.379 1.744) 2.404 10.904 ( 0.710 4.176 3.815) 5.701 10.973 ( -3.638 -4.148 1.538) 5.727 11.078 ( -0.934 5.552 3.160) 6.456 11.231 ( 2.426 -7.783 2.294) 8.469 11.514 ( -8.598 5.181 7.352) 12.442 11.573 ( -6.662 -0.697 6.876) 9.599 11.956 ( 9.714 6.073 -0.585) 11.471 12.091 ( 13.751 -6.982 -3.099) 15.731 12.449 ( 2.620 9.817 -1.483) 10.268 12.568 ( -3.143 0.440 -5.969) 6.760 12.778 ( 7.789 -3.633 -4.319) 9.619 12.810 ( 2.051 -3.869 -8.978) 9.989 13.193 ( 2.468 8.383 -6.388) 10.825 13.253 ( 4.620 1.961 -6.331) 8.079 13.448 ( -5.565 2.454 -6.365) 8.804 13.585 ( -6.480 -9.736 -10.773) 15.901 13.891 ( 1.783 1.730 -8.309) 8.672 13.980 ( 1.220 -7.593 -6.546) 10.099 14.456 ( -4.313 6.382 18.528) 20.065 14.545 ( -5.286 -1.884 17.163) 18.057 15.098 ( -14.896 5.696 5.030) 16.722 15.202 ( -17.037 -4.727 1.836) 17.776 15.647 ( 8.675 9.863 8.208) 15.489 15.828 ( 7.987 -7.696 5.299) 12.292 16.200 ( -4.795 6.779 2.157) 8.579 16.333 ( -4.193 -6.533 2.771) 8.243 16.681 ( 6.503 10.303 -9.035) 15.168 16.869 ( 5.462 -8.342 -10.706) 14.630 17.121 ( -2.707 6.531 -8.452) 11.018 17.256 ( -3.275 -6.133 -10.240) 12.377 17.425 ( 4.360 -0.593 4.992) 6.655 17.434 ( 5.015 -1.650 4.135) 6.706 17.651 ( -0.341 0.637 6.029) 6.073 17.704 ( -0.774 -5.076 7.162) 8.812 17.935 ( 2.353 -0.612 -0.102) 2.433 17.967 ( 3.065 -3.689 -1.168) 4.937 18.136 ( -1.666 0.936 -0.332) 1.939 18.188 ( -1.526 -4.275 -1.117) 4.674 ======================= Grid point 127 (54/81) ======================= q-point: ( 0.40 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.394 ( 3.785 5.545 -0.407) 6.726 4.439 ( 1.869 2.843 -1.470) 3.706 4.485 ( -0.142 0.000 1.227) 1.235 4.522 ( -1.173 -1.978 0.563) 2.368 4.682 ( -0.704 5.163 -3.569) 6.316 4.695 ( -2.426 6.469 -3.138) 7.588 4.771 ( -1.374 -3.347 -4.818) 6.026 4.792 ( -3.155 -3.369 -3.877) 6.028 5.346 ( 1.335 6.707 7.733) 10.323 5.395 ( -2.611 6.864 6.725) 9.958 5.479 ( 1.101 -5.253 7.693) 9.380 5.527 ( -2.012 -4.992 7.634) 9.341 5.788 ( 9.395 7.394 0.009) 11.956 5.899 ( 7.134 -3.705 0.458) 8.052 5.947 ( -3.410 6.383 -1.478) 7.386 6.013 ( -3.502 -0.696 -0.520) 3.608 6.466 ( -0.071 4.778 -2.761) 5.519 6.496 ( -2.477 7.831 -3.479) 8.920 6.620 ( 3.748 -10.477 -6.348) 12.811 6.712 ( -4.128 -13.298 -6.383) 15.317 7.068 ( 1.178 7.018 -1.631) 7.301 7.085 ( -0.677 3.168 -0.955) 3.377 7.209 ( 3.074 -8.829 -3.037) 9.830 7.262 ( -0.560 -12.317 -2.346) 12.551 8.108 ( 5.219 5.043 3.492) 8.053 8.142 ( 5.044 2.070 1.814) 5.746 8.224 ( -2.495 3.190 4.981) 6.419 8.260 ( -2.878 -0.062 3.045) 4.190 8.694 ( 3.717 6.525 0.348) 7.518 8.768 ( 3.149 -0.167 -1.460) 3.475 8.796 ( -4.743 5.009 1.898) 7.154 8.850 ( -3.659 0.299 1.535) 3.979 9.229 ( 1.026 5.503 1.986) 5.940 9.247 ( 1.872 4.240 2.059) 5.072 9.305 ( -5.349 5.600 3.266) 8.405 9.320 ( -4.143 4.458 3.404) 6.973 9.699 ( 4.074 3.748 0.743) 5.585 9.758 ( -0.835 3.459 -1.027) 3.704 9.807 ( 1.692 -5.536 -0.115) 5.790 9.824 ( 0.045 -2.457 -0.723) 2.561 10.227 ( 0.586 7.388 -2.599) 7.854 10.245 ( -0.725 6.491 -3.303) 7.319 10.319 ( 0.885 -0.357 -2.227) 2.422 10.336 ( -0.466 -1.233 -2.959) 3.240 10.789 ( 1.026 1.954 -1.174) 2.500 10.809 ( 0.961 0.668 -1.366) 1.799 10.868 ( -3.694 0.901 0.339) 3.817 10.880 ( -3.749 0.130 -0.112) 3.753 11.150 ( 6.585 7.242 8.512) 12.972 11.297 ( 2.957 -6.155 6.121) 9.170 11.325 ( -7.360 4.438 8.642) 12.188 11.420 ( -6.580 -3.905 7.357) 10.614 12.205 ( 11.597 9.100 -3.755) 15.212 12.369 ( 7.854 -3.710 -5.804) 10.447 12.427 ( -4.091 4.492 -3.446) 6.985 12.517 ( -2.203 -0.279 -5.627) 6.049 12.896 ( 6.694 1.813 -6.646) 9.605 13.007 ( 12.386 -7.935 -3.428) 15.104 13.096 ( -9.736 8.924 -5.397) 14.267 13.281 ( -10.422 -7.611 -4.346) 13.617 13.453 ( 11.069 9.481 -5.190) 15.471 13.557 ( 4.763 0.248 -9.472) 10.605 13.833 ( -6.690 -4.946 -7.171) 10.984 13.892 ( -9.457 -9.665 -3.817) 14.051 14.477 ( 7.592 5.029 11.262) 14.483 14.533 ( 6.768 -0.360 11.452) 13.307 14.754 ( -15.060 3.762 6.799) 16.946 14.818 ( -16.265 -2.490 5.213) 17.260 15.848 ( 9.297 9.139 6.957) 14.777 15.997 ( 4.310 -1.071 4.129) 6.064 16.067 ( -3.945 1.649 6.593) 7.858 16.201 ( -7.483 -7.169 5.147) 11.571 16.851 ( 8.155 8.514 -10.134) 15.546 16.993 ( 0.380 2.017 -11.593) 11.773 17.040 ( 0.279 -3.120 -9.793) 10.282 17.159 ( -5.474 -7.123 -11.099) 14.279 17.529 ( 4.331 1.426 5.320) 7.006 17.549 ( 4.259 -0.025 5.492) 6.950 17.629 ( -1.279 -1.362 6.780) 7.032 17.665 ( -2.820 -4.492 7.361) 9.073 18.005 ( 3.669 0.224 -0.541) 3.715 18.051 ( 4.178 -4.270 -1.476) 6.154 18.083 ( -3.097 0.694 -0.477) 3.209 18.136 ( -3.214 -4.512 -1.321) 5.696 ======================= Grid point 170 (55/81) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 0.000 37.234) 37.234 1.530 ( 0.000 0.000 38.619) 38.619 2.159 ( 0.000 0.000 -31.891) 31.891 2.216 ( 0.000 0.000 -30.653) 30.653 2.769 ( 0.000 0.000 63.904) 63.904 3.325 ( 0.000 0.000 6.413) 6.413 3.473 ( 0.000 0.000 -8.437) 8.437 3.875 ( 0.000 0.000 -35.770) 35.770 3.923 ( 0.000 0.000 4.404) 4.404 3.962 ( 0.000 0.000 -0.238) 0.238 4.026 ( 0.000 0.000 11.035) 11.035 4.233 ( 0.000 0.000 -0.670) 0.670 4.346 ( 0.000 0.000 0.548) 0.548 4.379 ( 0.000 0.000 -13.997) 13.997 4.482 ( 0.000 0.000 2.514) 2.514 4.515 ( 0.000 0.000 -0.981) 0.981 4.749 ( 0.000 0.000 -16.020) 16.020 4.819 ( 0.000 0.000 -15.701) 15.701 4.828 ( 0.000 0.000 4.166) 4.166 4.920 ( 0.000 0.000 -5.097) 5.097 5.166 ( 0.000 0.000 1.926) 1.926 5.201 ( 0.000 0.000 -1.645) 1.645 5.889 ( 0.000 0.000 26.922) 26.922 6.382 ( 0.000 0.000 -15.664) 15.664 6.602 ( 0.000 0.000 17.359) 17.359 7.049 ( 0.000 0.000 -17.762) 17.762 7.550 ( 0.000 0.000 20.530) 20.530 7.551 ( 0.000 0.000 4.757) 4.757 7.772 ( 0.000 0.000 -2.658) 2.658 7.896 ( 0.000 0.000 -2.845) 2.845 8.291 ( 0.000 0.000 -9.498) 9.498 8.343 ( 0.000 0.000 -11.117) 11.117 8.534 ( 0.000 0.000 2.135) 2.135 8.541 ( 0.000 0.000 -0.921) 0.921 8.822 ( 0.000 0.000 8.850) 8.850 9.000 ( 0.000 0.000 -7.610) 7.610 9.265 ( 0.000 0.000 0.030) 0.030 9.271 ( 0.000 0.000 -0.575) 0.575 9.374 ( 0.000 0.000 11.847) 11.847 9.550 ( 0.000 0.000 -6.175) 6.175 9.700 ( 0.000 0.000 6.317) 6.317 9.810 ( 0.000 0.000 -5.545) 5.545 9.998 ( 0.000 0.000 -0.140) 0.140 9.998 ( 0.000 0.000 -0.135) 0.135 10.131 ( 0.000 0.000 2.607) 2.607 10.185 ( 0.000 0.000 -2.942) 2.942 10.551 ( 0.000 0.000 12.886) 12.886 10.650 ( 0.000 0.000 3.174) 3.174 10.713 ( 0.000 0.000 -3.333) 3.333 10.796 ( 0.000 0.000 -11.606) 11.606 10.894 ( 0.000 0.000 1.391) 1.391 10.925 ( 0.000 0.000 -2.037) 2.037 11.633 ( 0.000 0.000 6.820) 6.820 11.648 ( 0.000 0.000 6.916) 6.916 11.663 ( 0.000 0.000 14.372) 14.372 11.931 ( 0.000 0.000 -8.806) 8.806 12.133 ( 0.000 0.000 6.846) 6.846 12.352 ( 0.000 0.000 2.887) 2.887 12.407 ( 0.000 0.000 -17.140) 17.140 12.508 ( 0.000 0.000 -12.322) 12.322 12.680 ( 0.000 0.000 6.764) 6.764 12.853 ( 0.000 0.000 -10.583) 10.583 13.435 ( 0.000 0.000 9.670) 9.670 13.554 ( 0.000 0.000 -0.543) 0.543 13.696 ( 0.000 0.000 12.916) 12.916 13.778 ( 0.000 0.000 3.539) 3.539 13.894 ( 0.000 0.000 -6.447) 6.447 13.952 ( 0.000 0.000 -13.465) 13.465 14.162 ( 0.000 0.000 9.538) 9.538 14.321 ( 0.000 0.000 -6.804) 6.804 16.165 ( 0.000 0.000 6.182) 6.182 16.307 ( 0.000 0.000 -8.542) 8.542 16.517 ( 0.000 0.000 7.709) 7.709 16.651 ( 0.000 0.000 -5.944) 5.944 17.590 ( 0.000 0.000 3.906) 3.906 17.663 ( 0.000 0.000 -3.906) 3.906 18.376 ( 0.000 0.000 3.645) 3.645 18.449 ( 0.000 0.000 -3.766) 3.766 18.524 ( 0.000 0.000 1.499) 1.499 18.548 ( 0.000 0.000 -0.943) 0.943 19.085 ( 0.000 0.000 7.681) 7.681 19.226 ( 0.000 0.000 -6.811) 6.811 19.674 ( 0.000 0.000 0.381) 0.381 19.681 ( 0.000 0.000 -0.223) 0.223 ======================= Grid point 171 (56/81) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 16.482 0.000 31.717) 35.744 1.748 ( 18.419 0.000 32.898) 37.703 2.275 ( 9.899 0.000 -28.330) 30.010 2.366 ( 12.931 0.000 -31.028) 33.614 3.142 ( 31.413 0.000 56.752) 64.866 3.143 ( -14.899 0.000 7.799) 16.817 3.325 ( -11.930 0.000 -10.251) 15.729 3.575 ( -28.524 0.000 12.097) 30.983 3.814 ( -21.047 0.000 -12.589) 24.524 3.968 ( 3.304 0.000 4.669) 5.720 4.016 ( 3.272 0.000 -0.681) 3.342 4.140 ( 15.667 0.000 -35.177) 38.508 4.447 ( -2.455 0.000 1.634) 2.949 4.471 ( -3.028 0.000 -0.804) 3.133 4.518 ( 15.834 0.000 9.111) 18.268 4.704 ( 13.069 0.000 -12.570) 18.133 4.890 ( 4.695 0.000 4.180) 6.286 4.919 ( 13.141 0.000 -6.796) 14.795 4.976 ( 4.145 0.000 -4.505) 6.122 5.054 ( 14.280 0.000 -15.080) 20.769 5.151 ( -1.314 0.000 2.156) 2.525 5.191 ( -0.924 0.000 -1.876) 2.091 5.743 ( -12.117 0.000 24.127) 26.999 6.190 ( -14.933 0.000 -17.039) 22.657 6.459 ( -11.903 0.000 21.344) 24.439 6.914 ( -15.611 0.000 -10.356) 18.734 7.103 ( -20.532 0.000 1.476) 20.585 7.401 ( -26.224 0.000 -16.525) 30.996 7.759 ( 4.460 0.000 10.063) 11.007 7.928 ( 2.148 0.000 -5.910) 6.289 8.155 ( -0.815 0.000 2.914) 3.026 8.287 ( -4.172 0.000 -10.706) 11.490 8.712 ( 13.846 0.000 12.526) 18.672 8.940 ( 14.434 0.000 -5.679) 15.511 9.026 ( 18.747 0.000 4.280) 19.230 9.173 ( 12.057 0.000 -5.822) 13.389 9.298 ( 2.722 0.000 0.084) 2.723 9.305 ( 2.785 0.000 -0.652) 2.860 9.329 ( -3.600 0.000 16.012) 16.412 9.572 ( 1.379 0.000 -8.086) 8.203 9.732 ( 1.961 0.000 2.270) 3.000 9.787 ( -1.697 0.000 -2.952) 3.406 9.972 ( -1.980 0.000 0.154) 1.986 9.974 ( -2.250 0.000 -0.074) 2.251 10.171 ( 3.424 0.000 1.430) 3.711 10.205 ( 1.924 0.000 -2.059) 2.818 10.593 ( -4.636 0.000 2.888) 5.461 10.621 ( 3.712 0.000 6.516) 7.499 10.650 ( -5.190 0.000 -2.994) 5.992 10.695 ( -4.123 0.000 3.572) 5.455 10.839 ( 0.082 0.000 -3.707) 3.708 10.876 ( -5.902 0.000 -6.606) 8.858 11.635 ( -3.162 0.000 7.455) 8.098 11.641 ( -2.078 0.000 6.174) 6.514 11.714 ( 4.228 0.000 14.117) 14.736 11.953 ( 1.119 0.000 -2.486) 2.726 12.127 ( 0.192 0.000 0.479) 0.516 12.373 ( -2.989 0.000 -16.867) 17.130 12.399 ( 6.690 0.000 5.752) 8.823 12.600 ( 6.036 0.000 -14.217) 15.446 12.785 ( 8.930 0.000 4.263) 9.895 12.916 ( 4.305 0.000 -9.210) 10.166 13.459 ( 2.056 0.000 9.391) 9.614 13.562 ( 0.456 0.000 1.255) 1.335 13.575 ( -8.632 0.000 7.654) 11.537 13.713 ( -13.242 0.000 -5.853) 14.478 13.777 ( 0.075 0.000 1.763) 1.764 13.877 ( -1.443 0.000 -6.253) 6.417 14.481 ( 19.205 0.000 1.306) 19.250 14.531 ( 15.756 0.000 -3.304) 16.098 15.977 ( -13.579 0.000 3.857) 14.116 16.051 ( -16.296 0.000 -3.244) 16.616 16.696 ( 9.179 0.000 2.978) 9.650 16.780 ( 7.932 0.000 -5.344) 9.564 17.529 ( -3.251 0.000 6.871) 7.602 17.678 ( -0.779 0.000 -8.490) 8.526 18.308 ( -4.208 0.000 3.626) 5.555 18.360 ( -4.212 0.000 -1.827) 4.591 18.586 ( 2.709 0.000 0.477) 2.750 18.597 ( 2.780 0.000 -0.678) 2.862 19.095 ( 1.096 0.000 8.152) 8.226 19.236 ( 0.785 0.000 -6.165) 6.215 19.531 ( -9.564 0.000 6.372) 11.492 19.611 ( -5.522 0.000 -2.483) 6.055 ======================= Grid point 172 (57/81) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 22.457 0.000 21.789) 31.290 2.268 ( 27.538 0.000 23.899) 36.463 2.500 ( 2.188 0.000 -7.936) 8.232 2.752 ( 21.319 0.000 -25.932) 33.571 2.793 ( -8.372 0.000 -0.556) 8.391 2.914 ( -30.288 0.000 16.405) 34.445 3.008 ( -15.794 0.000 -15.328) 22.009 3.274 ( -25.142 0.000 -20.450) 32.409 4.002 ( 42.143 0.000 39.038) 57.445 4.036 ( 2.447 0.000 3.586) 4.341 4.061 ( 0.442 0.000 0.934) 1.033 4.406 ( -0.883 0.000 0.327) 0.941 4.415 ( -1.700 0.000 -0.579) 1.796 4.618 ( 23.112 0.000 -9.105) 24.841 4.752 ( -16.215 0.000 11.062) 19.629 4.954 ( 19.653 0.000 -11.219) 22.630 4.996 ( 4.429 0.000 3.535) 5.667 5.024 ( -10.272 0.000 8.864) 13.568 5.052 ( 1.031 0.000 -1.370) 1.714 5.121 ( -0.229 0.000 0.717) 0.752 5.158 ( -2.040 0.000 -2.353) 3.114 5.244 ( 1.623 0.000 -4.639) 4.915 5.556 ( 2.229 0.000 2.041) 3.022 5.800 ( -17.914 0.000 -18.232) 25.560 6.274 ( 1.575 0.000 7.795) 7.952 6.530 ( -16.808 0.000 -12.372) 20.871 6.732 ( -8.798 0.000 -5.086) 10.162 6.871 ( -18.363 0.000 -13.335) 22.694 7.852 ( 4.100 0.000 5.737) 7.051 7.923 ( -2.156 0.000 -0.730) 2.276 8.184 ( 1.396 0.000 -5.074) 5.263 8.217 ( -1.895 0.000 -8.766) 8.969 8.981 ( 10.104 0.000 20.112) 22.508 9.132 ( -0.861 0.000 12.772) 12.801 9.258 ( 2.594 0.000 12.949) 13.206 9.297 ( 2.515 0.000 4.096) 4.807 9.361 ( 2.191 0.000 -0.042) 2.191 9.365 ( 1.841 0.000 -0.544) 1.919 9.476 ( 13.095 0.000 -11.239) 17.257 9.605 ( 1.106 0.000 -13.255) 13.301 9.728 ( -1.841 0.000 -0.639) 1.949 9.742 ( -3.131 0.000 -1.883) 3.653 9.923 ( -1.604 0.000 0.088) 1.607 9.926 ( -1.723 0.000 -0.185) 1.733 10.259 ( 3.603 0.000 0.466) 3.633 10.268 ( 3.126 0.000 -0.426) 3.155 10.486 ( -3.549 0.000 1.408) 3.818 10.519 ( -5.651 0.000 -1.902) 5.963 10.627 ( 2.781 0.000 6.841) 7.385 10.734 ( -5.927 0.000 0.330) 5.937 10.798 ( 5.274 0.000 -4.833) 7.153 10.850 ( 0.139 0.000 -5.220) 5.222 11.535 ( -3.207 0.000 7.220) 7.901 11.554 ( -4.221 0.000 5.270) 6.752 11.825 ( 5.380 0.000 13.510) 14.542 11.929 ( -3.499 0.000 10.682) 11.240 12.178 ( 4.312 0.000 -12.909) 13.610 12.285 ( -4.803 0.000 -16.054) 16.757 12.570 ( 6.824 0.000 2.267) 7.191 12.667 ( -1.230 0.000 -7.240) 7.343 13.036 ( 12.020 0.000 -0.734) 12.043 13.065 ( 9.607 0.000 -3.569) 10.248 13.369 ( -9.319 0.000 1.809) 9.493 13.417 ( -13.090 0.000 -2.777) 13.381 13.514 ( 2.559 0.000 8.420) 8.801 13.557 ( -1.127 0.000 5.644) 5.756 13.792 ( 1.443 0.000 -2.611) 2.983 13.835 ( -2.192 0.000 -5.376) 5.806 14.873 ( 13.599 0.000 -0.197) 13.600 14.880 ( 12.681 0.000 -0.909) 12.714 15.676 ( -11.011 0.000 1.246) 11.081 15.698 ( -13.080 0.000 -0.906) 13.112 16.850 ( 4.747 0.000 2.241) 5.250 16.893 ( 1.426 0.000 -1.930) 2.400 17.510 ( 2.159 0.000 1.903) 2.878 17.604 ( -5.169 0.000 -7.456) 9.072 18.262 ( 0.141 0.000 2.206) 2.211 18.292 ( -2.209 0.000 -1.091) 2.464 18.629 ( 1.104 0.000 0.448) 1.191 18.634 ( 0.634 0.000 -0.200) 0.665 19.142 ( 3.300 0.000 8.585) 9.198 19.225 ( -3.036 0.000 3.258) 4.453 19.401 ( -0.233 0.000 0.335) 0.408 19.479 ( -5.691 0.000 -4.807) 7.449 ======================= Grid point 175 (58/81) ======================= q-point: ( 0.00 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.000 14.589 33.194) 36.258 1.773 ( 0.000 21.703 32.222) 38.849 2.343 ( 0.000 12.392 -30.474) 32.898 2.423 ( 0.000 22.993 -29.997) 37.795 3.057 ( 0.000 29.800 54.848) 62.421 3.505 ( 0.000 17.116 4.464) 17.689 3.692 ( 0.000 21.049 -6.124) 21.922 3.977 ( 0.000 11.608 -6.663) 13.384 4.058 ( 0.000 4.134 6.219) 7.467 4.120 ( 0.000 13.135 -0.449) 13.143 4.155 ( 0.000 20.675 -8.600) 22.392 4.228 ( 0.000 1.473 -2.350) 2.774 4.322 ( 0.000 2.027 6.098) 6.426 4.405 ( 0.000 5.005 -18.999) 19.648 4.649 ( 0.000 14.323 3.609) 14.771 4.744 ( 0.000 10.877 -12.613) 16.656 4.764 ( 0.000 9.994 -8.486) 13.111 4.802 ( 0.000 2.329 -12.604) 12.818 5.116 ( 0.000 24.613 1.383) 24.652 5.176 ( 0.000 23.751 -3.845) 24.060 5.384 ( 0.000 21.372 3.206) 21.611 5.444 ( 0.000 23.805 -3.112) 24.008 5.884 ( 0.000 -0.145 25.571) 25.571 6.350 ( 0.000 -2.804 -14.729) 14.993 6.615 ( 0.000 1.864 16.217) 16.323 7.044 ( 0.000 -0.271 -18.237) 18.239 7.510 ( 0.000 -3.743 21.012) 21.343 7.550 ( 0.000 0.056 5.406) 5.406 7.769 ( 0.000 -0.129 -3.688) 3.690 7.861 ( 0.000 -3.150 -4.799) 5.741 8.247 ( 0.000 -3.667 -6.777) 7.706 8.321 ( 0.000 -1.977 -10.640) 10.822 8.451 ( 0.000 -7.200 5.250) 8.910 8.509 ( 0.000 -3.203 -3.546) 4.779 8.762 ( 0.000 -4.728 10.563) 11.573 8.956 ( 0.000 -3.731 -7.907) 8.743 9.257 ( 0.000 -7.297 8.529) 11.225 9.340 ( 0.000 2.783 -2.748) 3.911 9.375 ( 0.000 1.634 3.167) 3.564 9.482 ( 0.000 -5.512 -5.553) 7.824 9.766 ( 0.000 10.191 4.457) 11.123 9.844 ( 0.000 6.452 -3.832) 7.504 10.072 ( 0.000 3.619 1.759) 4.024 10.089 ( 0.000 5.858 -0.024) 5.858 10.243 ( 0.000 9.304 5.243) 10.679 10.344 ( 0.000 13.683 -5.401) 14.711 10.544 ( 0.000 1.273 5.690) 5.830 10.616 ( 0.000 -1.544 -1.625) 2.242 10.799 ( 0.000 -2.411 -0.658) 2.499 10.800 ( 0.000 -5.456 -0.745) 5.507 10.853 ( 0.000 7.551 4.978) 9.044 10.994 ( 0.000 14.398 -9.510) 17.255 11.564 ( 0.000 0.640 5.497) 5.534 11.601 ( 0.000 -0.925 3.264) 3.392 11.865 ( 0.000 9.639 12.644) 15.899 12.071 ( 0.000 -2.488 -2.530) 3.548 12.131 ( 0.000 14.088 6.044) 15.330 12.380 ( 0.000 1.674 -13.655) 13.757 12.446 ( 0.000 6.470 1.642) 6.675 12.581 ( 0.000 1.365 -10.795) 10.881 12.637 ( 0.000 -2.346 9.582) 9.865 12.892 ( 0.000 6.135 -16.841) 17.924 13.420 ( 0.000 -1.376 8.063) 8.180 13.528 ( 0.000 -3.665 -1.920) 4.138 13.774 ( 0.000 6.069 10.730) 12.327 13.829 ( 0.000 7.948 7.719) 11.080 13.941 ( 0.000 5.397 -7.098) 8.916 14.049 ( 0.000 9.253 -13.027) 15.979 14.296 ( 0.000 11.260 7.948) 13.783 14.438 ( 0.000 10.225 -6.640) 12.192 16.178 ( 0.000 1.048 5.635) 5.732 16.307 ( 0.000 -0.377 -7.792) 7.801 16.518 ( 0.000 0.157 8.837) 8.839 16.686 ( 0.000 2.834 -8.636) 9.089 17.553 ( 0.000 -3.647 3.121) 4.801 17.616 ( 0.000 -4.741 -3.481) 5.881 18.343 ( 0.000 -3.457 3.499) 4.919 18.411 ( 0.000 -3.815 -3.363) 5.086 18.500 ( 0.000 -2.147 -0.171) 2.154 18.501 ( 0.000 -4.512 -0.072) 4.512 19.041 ( 0.000 -4.344 7.342) 8.531 19.175 ( 0.000 -5.039 -6.374) 8.126 19.544 ( 0.000 -11.911 3.958) 12.551 19.587 ( 0.000 -8.273 -1.206) 8.361 ======================= Grid point 176 (59/81) ======================= q-point: ( 0.20 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 15.917 14.168 29.462) 36.361 2.029 ( 19.074 23.219 26.215) 39.877 2.444 ( 9.898 12.137 -29.348) 33.266 2.562 ( 11.079 21.977 -25.928) 35.749 3.348 ( 23.161 21.798 44.433) 54.643 3.365 ( -12.369 20.605 7.470) 25.167 3.560 ( -9.407 22.341 -4.203) 24.602 3.607 ( -26.136 4.089 10.914) 28.617 3.815 ( -19.043 2.001 -10.806) 21.986 4.114 ( 2.134 12.279 -10.006) 15.983 4.193 ( 3.504 18.363 2.375) 18.845 4.313 ( 11.376 15.066 -7.666) 20.376 4.505 ( 12.607 5.104 -4.590) 14.355 4.532 ( 1.354 5.532 -1.448) 5.877 4.668 ( 3.264 14.864 6.336) 16.485 4.824 ( 7.443 14.894 -10.870) 19.884 4.926 ( 12.258 1.954 -8.666) 15.138 4.994 ( 11.210 3.250 -10.874) 15.952 5.194 ( 6.968 20.400 -1.121) 21.587 5.232 ( 4.510 23.011 -3.455) 23.702 5.374 ( -0.915 21.679 2.818) 21.881 5.432 ( -1.048 23.494 -3.408) 23.763 5.747 ( -11.285 1.018 23.016) 25.654 6.172 ( -14.068 -1.534 -15.570) 21.040 6.476 ( -11.943 2.215 19.472) 22.950 6.910 ( -15.501 -0.216 -10.130) 18.519 7.076 ( -20.238 -2.383 2.178) 20.494 7.379 ( -26.157 -1.907 -16.794) 31.143 7.741 ( 4.622 -1.457 10.167) 11.263 7.906 ( 2.152 -1.677 -5.407) 6.056 8.128 ( -1.422 -2.412 2.744) 3.920 8.239 ( -4.460 -4.226 -8.809) 10.740 8.647 ( 12.576 -5.788 11.399) 17.934 8.855 ( 16.274 -7.754 -8.172) 19.793 8.951 ( 14.504 -5.368 10.066) 18.453 9.120 ( 10.468 -4.270 -4.979) 12.353 9.229 ( -1.482 -6.682 12.132) 13.929 9.344 ( 1.764 -0.522 -1.251) 2.225 9.453 ( 4.597 6.418 -1.055) 7.965 9.520 ( 3.147 -4.474 -5.928) 8.066 9.762 ( -1.182 6.352 1.820) 6.713 9.791 ( -3.478 4.040 -1.103) 5.444 10.089 ( 1.647 7.344 0.478) 7.541 10.100 ( 0.778 9.864 -0.566) 9.911 10.277 ( 2.794 8.302 3.866) 9.575 10.353 ( 0.992 12.809 -4.284) 13.543 10.534 ( -1.898 0.365 5.200) 5.548 10.634 ( -0.180 -0.398 -4.650) 4.671 10.723 ( -4.867 1.790 4.331) 6.757 10.780 ( 0.603 3.894 -1.408) 4.185 10.836 ( 0.620 5.298 1.939) 5.675 10.949 ( -4.700 10.706 -9.211) 14.885 11.594 ( 0.233 -0.773 6.693) 6.741 11.625 ( -0.191 -0.111 4.420) 4.425 11.813 ( -2.445 4.871 12.192) 13.355 12.025 ( -2.562 -5.332 -5.494) 8.073 12.093 ( -2.220 11.194 7.344) 13.571 12.335 ( -3.370 1.659 -12.250) 12.813 12.523 ( 4.800 7.688 2.778) 9.480 12.668 ( 7.202 4.586 -9.591) 12.841 12.757 ( 10.246 -2.768 4.809) 11.652 12.924 ( 2.804 1.647 -11.690) 12.134 13.438 ( -0.056 -1.625 6.064) 6.278 13.524 ( -1.170 -3.447 -0.713) 3.709 13.698 ( -6.154 10.131 7.331) 13.938 13.775 ( -2.993 4.908 6.605) 8.756 13.847 ( -8.237 9.149 -6.914) 14.119 13.925 ( -2.765 5.728 -7.472) 9.813 14.575 ( 17.435 8.213 1.921) 19.368 14.635 ( 14.647 9.285 -3.850) 17.764 16.021 ( -11.882 3.967 3.367) 12.971 16.082 ( -14.611 2.891 -2.420) 15.089 16.670 ( 8.037 -2.643 3.949) 9.337 16.777 ( 5.661 -0.741 -6.711) 8.810 17.502 ( -2.474 -2.577 5.400) 6.475 17.631 ( -0.460 -4.628 -7.749) 9.037 18.286 ( -3.341 -2.283 4.154) 5.799 18.352 ( -3.688 -0.980 -2.900) 4.793 18.531 ( 2.338 -5.417 1.040) 5.991 18.551 ( 2.270 -4.364 -1.150) 5.052 19.049 ( 0.930 -4.492 7.817) 9.063 19.183 ( 0.515 -5.281 -5.464) 7.616 19.435 ( -7.279 -8.779 7.001) 13.382 19.531 ( -4.747 -7.628 -3.280) 9.564 ======================= Grid point 177 (60/81) ======================= q-point: ( 0.40 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 24.922 12.180 21.137) 34.875 2.492 ( 21.771 24.052 19.235) 37.716 2.723 ( 5.308 17.595 -13.535) 22.824 2.831 ( 11.788 9.923 -14.418) 21.102 3.002 ( -23.637 10.629 11.272) 28.262 3.058 ( -7.384 23.591 -1.137) 24.746 3.243 ( -16.017 19.657 -14.638) 29.278 3.335 ( -21.487 8.380 -18.193) 29.375 4.050 ( 27.337 10.038 24.999) 38.380 4.196 ( 2.464 13.764 0.886) 14.011 4.284 ( 8.635 18.494 11.452) 23.404 4.503 ( -2.167 8.555 0.107) 8.826 4.542 ( 4.759 11.037 4.241) 12.745 4.740 ( 15.320 13.170 -5.835) 21.028 4.838 ( -8.767 10.277 9.381) 16.446 4.984 ( 10.178 1.910 10.372) 14.657 5.047 ( -0.985 7.375 -14.097) 15.940 5.209 ( 2.895 5.695 -6.506) 9.118 5.261 ( -0.105 21.959 6.424) 22.880 5.320 ( -0.418 19.601 2.512) 19.765 5.358 ( 1.648 20.840 -1.631) 20.968 5.399 ( -1.085 22.771 -4.990) 23.337 5.577 ( 2.107 4.039 2.431) 5.163 5.808 ( -16.918 1.448 -17.306) 24.244 6.274 ( 0.845 0.232 7.565) 7.616 6.528 ( -16.802 0.138 -12.394) 20.879 6.712 ( -8.642 -1.735 -4.900) 10.085 6.852 ( -18.253 -1.661 -13.265) 22.624 7.837 ( 4.084 -1.222 5.339) 6.832 7.906 ( -1.992 -1.355 -0.886) 2.567 8.145 ( 1.074 -3.575 -4.595) 5.921 8.169 ( -1.587 -4.328 -7.220) 8.567 8.897 ( 9.534 -7.250 18.516) 22.053 9.047 ( -2.828 -7.502 15.737) 17.661 9.155 ( 7.058 -7.748 0.239) 10.484 9.235 ( 1.186 -5.447 1.347) 5.735 9.343 ( 6.669 -5.404 2.034) 8.821 9.390 ( 1.777 -2.601 0.601) 3.207 9.554 ( 4.717 5.202 -5.739) 9.069 9.598 ( 2.583 -0.062 -8.253) 8.648 9.700 ( -2.211 0.611 0.934) 2.477 9.728 ( -3.512 4.090 -1.905) 5.718 10.114 ( 1.202 15.828 0.249) 15.875 10.131 ( 0.460 16.224 -1.755) 16.325 10.354 ( 4.013 4.852 3.337) 7.126 10.407 ( 3.621 3.001 -0.596) 4.741 10.460 ( -3.306 8.132 2.306) 9.076 10.550 ( -6.218 6.184 -4.163) 9.707 10.677 ( 1.498 3.622 2.300) 4.545 10.765 ( -5.216 2.608 -5.920) 8.310 10.900 ( 3.884 9.814 -1.370) 10.643 10.908 ( 2.517 6.894 -2.040) 7.617 11.517 ( -3.954 -0.590 7.696) 8.672 11.539 ( -5.229 -0.281 5.309) 7.457 11.858 ( 4.864 -0.574 10.250) 11.360 11.964 ( -4.172 -5.642 7.919) 10.580 12.109 ( 4.218 4.459 -8.804) 10.733 12.228 ( -5.797 0.371 -12.269) 13.575 12.648 ( 5.986 6.232 3.386) 9.282 12.747 ( -1.807 6.680 -6.226) 9.309 13.027 ( 12.674 -2.001 1.193) 12.886 13.078 ( 10.802 0.443 -3.912) 11.497 13.330 ( -8.549 -2.884 3.132) 9.550 13.399 ( -10.899 -1.562 -3.532) 11.563 13.633 ( 1.252 10.711 7.183) 12.957 13.687 ( -3.055 11.753 6.105) 13.591 13.797 ( 1.433 1.749 -5.080) 5.560 13.857 ( -3.383 3.134 -6.821) 8.234 14.933 ( 12.418 5.496 0.382) 13.585 14.951 ( 10.874 6.488 -1.429) 12.743 15.752 ( -9.723 7.241 1.162) 12.178 15.769 ( -11.271 6.768 -0.408) 13.153 16.808 ( 4.342 -4.337 2.376) 6.581 16.853 ( 0.606 -4.208 -1.911) 4.661 17.494 ( 2.124 -1.454 0.574) 2.637 17.575 ( -4.123 -2.906 -7.307) 8.879 18.249 ( 0.230 -1.268 2.780) 3.064 18.282 ( -2.476 -0.888 -0.866) 2.769 18.572 ( 1.248 -5.598 0.466) 5.755 18.582 ( 0.432 -5.184 -0.574) 5.234 19.091 ( 2.924 -5.018 8.298) 10.129 19.166 ( -2.926 -5.756 3.823) 7.504 19.340 ( 0.272 -5.927 -0.381) 5.946 19.414 ( -5.151 -6.335 -5.022) 9.586 ======================= Grid point 180 (61/81) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 0.000 23.455 23.094) 32.916 2.205 ( 0.000 22.020 21.296) 30.633 2.669 ( 0.000 20.001 -18.637) 27.338 2.896 ( 0.000 22.811 -29.259) 37.100 3.849 ( 0.000 44.701 26.513) 51.972 3.911 ( 0.000 19.958 7.104) 21.184 4.186 ( 0.000 19.739 9.074) 21.725 4.198 ( 0.000 9.824 3.231) 10.341 4.248 ( 0.000 16.067 8.202) 18.040 4.255 ( 0.000 5.301 -4.011) 6.648 4.348 ( 0.000 17.065 4.382) 17.618 4.596 ( 0.000 18.179 -3.199) 18.458 4.641 ( 0.000 21.451 -0.584) 21.459 4.684 ( 0.000 19.871 -19.307) 27.705 4.797 ( 0.000 13.567 -15.089) 20.292 4.835 ( 0.000 11.300 -12.077) 16.539 5.139 ( 0.000 27.154 -0.289) 27.155 5.228 ( 0.000 27.018 -6.430) 27.773 5.719 ( 0.000 33.792 2.559) 33.889 5.752 ( 0.000 32.252 -1.068) 32.270 5.879 ( 0.000 6.111 14.712) 15.931 5.924 ( 0.000 29.794 5.790) 30.352 6.099 ( 0.000 35.817 -2.504) 35.904 6.302 ( 0.000 -0.649 -11.913) 11.931 6.723 ( 0.000 11.345 10.871) 15.713 7.060 ( 0.000 2.968 -17.545) 17.794 7.428 ( 0.000 -3.489 21.147) 21.433 7.561 ( 0.000 1.308 6.597) 6.726 7.778 ( 0.000 1.424 -5.368) 5.554 7.795 ( 0.000 -2.795 -8.345) 8.801 8.179 ( 0.000 -2.878 -1.731) 3.358 8.280 ( 0.000 -1.793 -9.951) 10.111 8.291 ( 0.000 -8.441 7.068) 11.009 8.413 ( 0.000 -6.528 -6.580) 9.269 8.679 ( 0.000 -2.950 11.011) 11.399 8.873 ( 0.000 -4.329 -7.845) 8.960 9.060 ( 0.000 -11.722 10.519) 15.750 9.236 ( 0.000 -11.115 -8.312) 13.879 9.309 ( 0.000 -7.443 4.029) 8.464 9.372 ( 0.000 -6.997 -2.382) 7.391 9.952 ( 0.000 -0.134 1.779) 1.784 9.988 ( 0.000 4.376 -1.308) 4.568 10.181 ( 0.000 -0.043 7.091) 7.091 10.250 ( 0.000 13.170 0.499) 13.179 10.388 ( 0.000 12.018 -1.701) 12.137 10.432 ( 0.000 -0.769 -6.081) 6.129 10.638 ( 0.000 0.126 3.093) 3.095 10.692 ( 0.000 -2.462 -1.495) 2.881 10.781 ( 0.000 11.804 -0.202) 11.806 10.805 ( 0.000 16.822 -4.010) 17.294 11.134 ( 0.000 16.854 11.921) 20.644 11.371 ( 0.000 20.524 -12.850) 24.215 11.658 ( 0.000 9.749 5.616) 11.250 11.668 ( 0.000 7.079 5.104) 8.728 11.965 ( 0.000 1.332 6.700) 6.831 12.000 ( 0.000 -2.520 2.163) 3.321 12.413 ( 0.000 3.371 7.996) 8.677 12.448 ( 0.000 -1.435 -3.126) 3.440 12.508 ( 0.000 9.473 -7.694) 12.204 12.605 ( 0.000 8.243 -10.736) 13.536 12.720 ( 0.000 9.395 15.443) 18.076 13.067 ( 0.000 8.939 -18.857) 20.868 13.396 ( 0.000 -0.524 2.096) 2.161 13.427 ( 0.000 -5.642 -1.322) 5.795 13.947 ( 0.000 12.153 9.443) 15.390 14.046 ( 0.000 12.329 11.907) 17.140 14.111 ( 0.000 11.531 -6.484) 13.229 14.289 ( 0.000 14.716 -13.068) 19.681 14.544 ( 0.000 13.870 5.597) 14.957 14.657 ( 0.000 11.199 -6.389) 12.894 16.190 ( 0.000 -0.308 3.790) 3.803 16.279 ( 0.000 -2.727 -5.405) 6.054 16.525 ( 0.000 0.604 10.608) 10.625 16.729 ( 0.000 0.971 -10.324) 10.370 17.460 ( 0.000 -5.208 0.232) 5.213 17.490 ( 0.000 -7.558 -2.596) 7.992 18.239 ( 0.000 -6.968 3.503) 7.799 18.302 ( 0.000 -7.243 -2.869) 7.791 18.391 ( 0.000 -6.176 2.999) 6.866 18.451 ( 0.000 -2.799 -3.556) 4.525 18.921 ( 0.000 -7.701 6.459) 10.051 19.037 ( 0.000 -8.774 -5.114) 10.156 19.285 ( 0.000 -13.576 6.671) 15.126 19.379 ( 0.000 -12.267 -3.468) 12.748 ======================= Grid point 181 (62/81) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 13.669 22.848 21.199) 34.033 2.451 ( 20.068 19.247 15.022) 31.604 2.774 ( 9.366 20.547 -15.621) 27.457 3.037 ( 11.293 22.874 -25.493) 36.065 3.700 ( -20.011 9.230 9.224) 23.890 3.868 ( -12.473 13.097 -5.364) 18.865 3.887 ( -12.282 26.502 7.194) 30.083 3.994 ( -3.716 27.709 2.580) 28.076 4.157 ( 0.893 38.050 15.846) 41.227 4.421 ( 5.615 11.541 7.088) 14.661 4.522 ( 4.928 13.984 3.365) 15.204 4.601 ( 8.402 14.112 1.319) 16.477 4.698 ( 3.916 21.064 0.825) 21.441 4.855 ( 9.482 18.529 -13.218) 24.657 4.906 ( 8.071 12.191 -2.647) 14.858 5.042 ( 12.464 5.619 -13.309) 19.080 5.176 ( 4.101 25.820 -1.871) 26.211 5.262 ( 3.751 26.423 -10.043) 28.515 5.750 ( -0.141 19.794 6.768) 20.920 5.779 ( -4.291 20.838 8.337) 22.850 5.802 ( 3.674 32.207 -1.278) 32.441 5.911 ( -1.884 26.965 3.124) 27.210 6.074 ( -2.246 31.637 -3.951) 31.962 6.174 ( -8.864 8.536 -8.802) 15.130 6.602 ( -11.027 13.438 12.328) 21.311 6.926 ( -15.761 2.871 -5.472) 16.929 7.039 ( -18.886 0.032 1.669) 18.960 7.347 ( -25.323 -0.387 -17.245) 30.640 7.720 ( 4.951 -0.154 10.438) 11.554 7.885 ( 2.104 -0.002 -5.507) 5.895 8.075 ( -2.698 -2.760 2.595) 4.651 8.146 ( -5.030 -4.771 -5.115) 8.615 8.519 ( 10.578 -6.651 7.734) 14.695 8.679 ( 15.778 -9.588 -7.568) 19.954 8.843 ( 9.988 -5.514 10.846) 15.742 9.016 ( 8.015 -6.162 -4.240) 10.963 9.068 ( 2.582 -9.030 10.917) 14.401 9.225 ( 0.963 -9.777 -3.744) 10.513 9.381 ( 3.491 -9.586 -0.925) 10.244 9.428 ( 4.791 -7.215 -4.495) 9.758 9.904 ( -3.289 3.298 1.694) 4.956 9.945 ( -3.102 5.574 -2.280) 6.774 10.193 ( 1.108 -2.120 6.809) 7.217 10.266 ( 0.869 7.283 -0.547) 7.355 10.434 ( 3.887 11.156 -0.244) 11.816 10.494 ( 5.202 3.764 -6.046) 8.819 10.674 ( 2.934 2.380 2.836) 4.724 10.711 ( 0.526 2.535 0.889) 2.737 10.789 ( 1.838 10.709 -1.763) 11.008 10.816 ( 0.503 16.461 -3.649) 16.868 11.116 ( -0.773 17.576 7.016) 18.940 11.277 ( -7.169 19.758 -9.720) 23.157 11.627 ( -2.597 2.727 7.168) 8.097 11.673 ( -0.890 6.204 3.595) 7.225 11.846 ( -6.940 -0.376 7.019) 9.877 11.960 ( -5.395 0.458 -2.673) 6.038 12.326 ( -4.200 8.476 5.763) 11.077 12.487 ( -4.542 12.210 -7.016) 14.797 12.618 ( 13.408 -3.413 2.143) 14.000 12.690 ( 5.358 4.940 2.486) 7.700 12.796 ( 9.557 7.004 1.278) 11.917 13.023 ( -2.966 7.764 -14.379) 16.608 13.417 ( -0.924 0.032 2.347) 2.523 13.454 ( 1.633 -2.278 -1.161) 3.034 13.871 ( -5.978 8.056 5.826) 11.601 13.914 ( -7.671 8.356 3.833) 11.973 14.087 ( -2.551 14.160 -1.920) 14.516 14.162 ( -6.601 17.114 -7.148) 19.687 14.761 ( 14.626 10.451 3.393) 18.294 14.845 ( 13.169 11.469 -5.173) 18.213 16.107 ( -7.182 3.993 2.417) 8.565 16.150 ( -9.521 3.561 -1.612) 10.292 16.595 ( 4.413 -4.792 6.273) 9.044 16.733 ( 0.174 -3.855 -7.258) 8.220 17.441 ( -0.413 -3.321 1.011) 3.496 17.510 ( 0.583 -7.114 -5.794) 9.193 18.218 ( -1.166 -4.706 5.158) 7.079 18.305 ( -0.891 -4.491 -3.891) 6.008 18.392 ( 0.589 -7.967 3.016) 8.539 18.449 ( 0.007 -5.220 -2.974) 6.007 18.926 ( 0.656 -7.799 6.919) 10.446 19.040 ( 0.082 -8.932 -3.708) 9.671 19.228 ( -3.966 -11.665 6.309) 13.842 19.336 ( -3.544 -11.582 -4.498) 12.920 ======================= Grid point 182 (63/81) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 21.419 18.553 17.258) 33.179 2.951 ( 22.487 16.471 -2.653) 28.001 3.059 ( 15.292 21.783 -4.276) 26.956 3.103 ( -18.478 14.564 7.932) 24.828 3.393 ( -0.486 24.772 -5.507) 25.381 3.465 ( -18.252 12.402 -13.989) 26.128 3.593 ( -8.112 25.357 1.456) 26.663 3.788 ( -13.316 27.410 -12.992) 33.127 4.432 ( 15.047 28.163 14.999) 35.278 4.544 ( 3.992 20.055 1.829) 20.530 4.648 ( 4.395 15.032 7.009) 17.158 4.702 ( -0.800 11.068 3.283) 11.573 4.826 ( 9.429 18.939 12.920) 24.789 5.014 ( 1.570 7.956 2.940) 8.626 5.068 ( 6.094 11.864 5.257) 14.336 5.156 ( -3.530 16.632 0.748) 17.019 5.319 ( 6.836 19.992 -3.948) 21.494 5.384 ( 4.264 19.004 -12.242) 23.004 5.585 ( -2.560 11.394 2.366) 11.915 5.746 ( -11.563 10.682 -9.614) 18.445 5.913 ( 7.259 33.639 -0.006) 34.413 5.924 ( 6.366 35.153 -0.153) 35.725 6.016 ( -1.929 25.279 0.043) 25.352 6.066 ( -3.705 39.219 -2.246) 39.457 6.329 ( -4.424 9.672 6.346) 12.385 6.570 ( -15.024 6.248 -10.108) 19.155 6.684 ( -9.609 -0.083 -5.927) 11.290 6.827 ( -18.396 0.086 -13.733) 22.957 7.822 ( 4.134 0.120 4.668) 6.237 7.890 ( -1.845 0.195 -1.414) 2.333 8.063 ( 0.274 -4.344 -3.641) 5.675 8.071 ( -1.217 -5.051 -4.547) 6.905 8.737 ( 8.467 -8.559 15.156) 19.356 8.869 ( -2.552 -10.476 13.613) 17.366 8.991 ( 8.297 -8.144 -3.512) 12.145 9.101 ( -0.474 -7.829 -2.151) 8.133 9.209 ( 5.972 -7.834 5.375) 11.222 9.263 ( 1.209 -8.644 1.576) 8.869 9.461 ( 3.410 -9.366 -3.788) 10.663 9.500 ( 0.607 -9.103 -6.242) 11.054 9.859 ( -0.177 7.335 0.094) 7.338 9.885 ( -2.107 6.556 -2.604) 7.362 10.228 ( 2.016 -4.800 3.934) 6.525 10.267 ( -1.032 -1.558 -0.027) 1.869 10.542 ( 5.405 14.566 2.296) 15.705 10.614 ( 3.212 14.109 -2.148) 14.628 10.673 ( -1.502 9.715 0.054) 9.831 10.718 ( -0.928 6.468 -1.408) 6.685 10.835 ( 2.080 15.289 -1.828) 15.538 10.861 ( 1.895 7.895 -3.637) 8.897 11.128 ( 0.968 15.514 -0.587) 15.555 11.152 ( -1.617 16.587 -3.134) 16.958 11.542 ( -3.952 2.403 8.066) 9.298 11.575 ( -6.322 4.885 5.760) 9.849 11.761 ( -0.194 -6.249 0.532) 6.275 11.818 ( -5.359 -3.844 -3.739) 7.581 12.305 ( 1.717 10.865 5.465) 12.282 12.376 ( -4.477 11.422 -0.823) 12.296 12.798 ( 5.086 7.182 2.266) 9.088 12.877 ( 2.031 4.397 -3.798) 6.155 13.011 ( 8.834 3.352 1.655) 9.592 13.093 ( 14.332 3.247 -5.480) 15.683 13.289 ( -10.241 -0.002 5.372) 11.564 13.387 ( -9.191 1.346 -4.416) 10.286 13.779 ( -0.642 3.673 1.508) 4.022 13.806 ( -2.410 3.738 -1.198) 4.606 14.033 ( -1.412 16.617 -0.759) 16.694 14.052 ( -3.261 16.493 -2.495) 16.997 15.067 ( 10.701 7.952 1.751) 13.447 15.105 ( 7.697 8.824 -2.148) 11.904 15.927 ( -6.643 9.714 0.747) 11.792 15.939 ( -7.570 9.832 -0.343) 12.414 16.679 ( 3.024 -8.684 2.753) 9.599 16.725 ( -1.139 -8.788 -1.537) 8.994 17.458 ( 1.772 -2.156 -2.298) 3.615 17.499 ( -1.529 -4.439 -6.325) 7.877 18.212 ( 0.850 -2.638 4.587) 5.359 18.255 ( -2.782 -2.084 0.333) 3.492 18.422 ( 1.599 -9.197 0.069) 9.336 18.446 ( -0.498 -7.977 -2.080) 8.258 18.957 ( 2.238 -8.245 7.494) 11.365 19.016 ( -2.518 -8.998 4.447) 10.348 19.182 ( 0.860 -9.764 -1.583) 9.929 19.246 ( -4.121 -10.308 -5.285) 12.295 ======================= Grid point 185 (64/81) ======================= q-point: ( 0.00 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 0.000 26.005 13.689) 29.388 2.649 ( 0.000 23.168 9.314) 24.970 3.108 ( 0.000 24.164 -7.995) 25.452 3.311 ( 0.000 20.167 -24.040) 31.378 4.166 ( 0.000 7.960 10.246) 12.974 4.273 ( 0.000 3.112 5.591) 6.399 4.363 ( 0.000 9.426 -0.480) 9.438 4.385 ( 0.000 10.176 -2.479) 10.474 4.626 ( 0.000 14.512 -3.080) 14.835 4.708 ( 0.000 16.825 -0.934) 16.851 4.732 ( 0.000 9.754 0.132) 9.755 4.867 ( 0.000 22.303 -4.914) 22.838 5.008 ( 0.000 37.319 10.867) 38.869 5.131 ( 0.000 21.444 3.414) 21.714 5.279 ( 0.000 27.766 1.641) 27.814 5.375 ( 0.000 30.855 -4.759) 31.220 5.698 ( 0.000 25.946 6.832) 26.830 5.752 ( 0.000 24.869 -2.071) 24.955 6.058 ( 0.000 20.051 -2.075) 20.158 6.251 ( 0.000 6.673 -7.785) 10.254 6.276 ( 0.000 17.780 0.906) 17.803 6.383 ( 0.000 25.263 -4.176) 25.605 6.628 ( 0.000 33.255 8.219) 34.255 6.817 ( 0.000 34.055 -11.694) 36.007 7.069 ( 0.000 17.848 6.247) 18.910 7.232 ( 0.000 15.642 -8.708) 17.903 7.485 ( 0.000 14.601 13.151) 19.650 7.605 ( 0.000 2.873 2.922) 4.098 7.825 ( 0.000 9.917 -6.041) 11.612 7.843 ( 0.000 6.053 -4.355) 7.457 8.100 ( 0.000 -6.397 9.814) 11.715 8.187 ( 0.000 0.734 -1.146) 1.361 8.254 ( 0.000 -3.154 -8.582) 9.143 8.280 ( 0.000 -3.426 -6.281) 7.155 8.656 ( 0.000 -0.026 6.855) 6.855 8.798 ( 0.000 -3.152 -5.916) 6.703 8.824 ( 0.000 -10.671 9.129) 14.043 8.976 ( 0.000 -14.311 -7.262) 16.048 9.120 ( 0.000 -11.125 5.611) 12.460 9.198 ( 0.000 -10.086 -2.569) 10.408 9.919 ( 0.000 -1.922 0.901) 2.123 9.971 ( 0.000 -3.399 -2.451) 4.190 10.069 ( 0.000 -7.374 6.059) 9.544 10.223 ( 0.000 -7.168 -7.454) 10.341 10.470 ( 0.000 -2.431 0.659) 2.518 10.473 ( 0.000 -3.306 0.103) 3.307 10.907 ( 0.000 22.177 0.887) 22.195 10.924 ( 0.000 22.396 -0.884) 22.414 10.987 ( 0.000 6.645 2.282) 7.026 11.032 ( 0.000 5.037 -3.097) 5.913 11.508 ( 0.000 19.777 12.116) 23.193 11.720 ( 0.000 13.095 -8.126) 15.411 11.757 ( 0.000 0.423 13.114) 13.120 11.891 ( 0.000 8.201 2.022) 8.447 12.063 ( 0.000 14.834 -2.141) 14.988 12.065 ( 0.000 9.316 0.401) 9.324 12.350 ( 0.000 -5.599 -2.870) 6.292 12.355 ( 0.000 -3.531 0.011) 3.531 12.768 ( 0.000 11.570 -0.926) 11.607 12.841 ( 0.000 12.442 -7.266) 14.408 12.902 ( 0.000 8.391 12.659) 15.187 13.177 ( 0.000 1.612 -13.133) 13.231 13.339 ( 0.000 -2.403 2.840) 3.720 13.424 ( 0.000 3.665 -5.136) 6.309 14.234 ( 0.000 14.285 11.072) 18.073 14.298 ( 0.000 15.316 13.139) 20.180 14.379 ( 0.000 15.363 -5.249) 16.234 14.602 ( 0.000 16.007 -14.902) 21.870 14.852 ( 0.000 17.630 0.932) 17.654 14.876 ( 0.000 11.947 -2.745) 12.259 16.147 ( 0.000 -4.460 2.106) 4.932 16.197 ( 0.000 -5.676 -3.111) 6.473 16.543 ( 0.000 1.173 9.953) 10.021 16.716 ( 0.000 -2.160 -7.614) 7.914 17.346 ( 0.000 -6.354 -1.655) 6.566 17.373 ( 0.000 -3.260 -4.601) 5.639 18.081 ( 0.000 -8.807 3.065) 9.326 18.133 ( 0.000 -9.681 -2.314) 9.954 18.271 ( 0.000 -5.922 6.764) 8.990 18.384 ( 0.000 -4.111 -5.327) 6.728 18.746 ( 0.000 -9.940 5.332) 11.280 18.841 ( 0.000 -10.875 -3.937) 11.566 19.022 ( 0.000 -13.078 6.186) 14.467 19.125 ( 0.000 -13.204 -4.344) 13.900 ======================= Grid point 186 (65/81) ======================= q-point: ( 0.20 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 11.725 25.628 12.578) 30.862 2.826 ( 15.804 19.396 7.553) 26.135 3.209 ( 8.874 23.271 -6.050) 25.630 3.432 ( 9.881 18.122 -22.421) 30.475 3.902 ( -16.066 11.389 7.037) 20.913 4.061 ( -15.555 10.131 -9.124) 20.684 4.337 ( -8.938 16.050 6.754) 19.573 4.431 ( 2.858 9.133 2.625) 9.924 4.609 ( -1.315 14.728 3.995) 15.317 4.735 ( 3.570 9.469 -3.028) 10.564 4.912 ( 11.353 9.233 -0.089) 14.633 4.990 ( 4.335 19.084 -3.196) 19.829 5.016 ( 6.533 34.066 10.054) 36.115 5.119 ( 1.919 19.670 3.558) 20.081 5.338 ( 2.766 22.501 0.146) 22.671 5.407 ( 1.410 26.194 -1.996) 26.308 5.728 ( 2.804 26.277 7.091) 27.361 5.766 ( 1.206 23.394 -0.239) 23.426 6.048 ( -0.509 24.819 -8.916) 26.377 6.161 ( -7.824 9.102 -11.048) 16.313 6.252 ( -0.786 16.296 9.491) 18.875 6.400 ( 0.772 22.250 -4.610) 22.736 6.625 ( 0.775 33.689 6.210) 34.265 6.792 ( -2.575 27.310 -10.791) 29.477 6.959 ( -8.435 18.888 6.509) 21.685 7.108 ( -12.151 16.370 -4.074) 20.790 7.266 ( -12.832 29.853 4.328) 32.781 7.463 ( -15.378 16.685 -12.833) 26.069 7.764 ( 2.974 6.605 9.478) 11.929 7.915 ( 1.636 3.116 -5.217) 6.293 8.022 ( -2.870 -2.100 2.583) 4.395 8.071 ( -5.771 -2.420 -3.510) 7.175 8.401 ( 7.920 -4.864 2.941) 9.748 8.487 ( 12.219 -9.667 -4.294) 16.161 8.746 ( 5.372 -4.216 7.530) 10.165 8.886 ( 5.398 -6.421 0.906) 8.437 8.908 ( 6.954 -6.848 1.828) 9.929 9.011 ( 3.250 -10.534 -1.855) 11.179 9.150 ( 2.680 -13.553 2.289) 14.003 9.243 ( 2.954 -10.731 -5.188) 12.280 9.905 ( -0.729 -1.527 1.213) 2.082 9.966 ( -0.725 -1.817 -5.024) 5.391 10.082 ( 0.885 -6.439 8.855) 10.985 10.243 ( 0.581 -5.613 -6.779) 8.820 10.482 ( 3.263 -4.410 0.957) 5.569 10.504 ( 3.285 -4.115 -1.143) 5.388 10.915 ( -0.286 17.749 1.244) 17.795 10.938 ( 0.981 18.144 -0.826) 18.190 11.030 ( 2.799 8.233 1.640) 8.850 11.065 ( 2.718 7.372 -2.201) 8.159 11.486 ( -1.272 17.663 7.825) 19.360 11.618 ( -7.297 8.965 -4.848) 12.535 11.676 ( -4.252 4.398 9.313) 11.142 11.814 ( -5.967 10.691 -2.141) 12.430 11.985 ( -6.815 16.953 2.574) 18.452 12.047 ( -5.650 7.190 -1.898) 9.339 12.367 ( 3.793 -2.739 8.940) 10.090 12.541 ( 13.450 -2.877 -2.268) 13.940 12.706 ( -6.742 8.620 0.125) 10.945 12.822 ( 4.773 7.343 -6.022) 10.629 12.995 ( 5.999 11.379 2.190) 13.049 13.137 ( -2.673 2.396 -9.999) 10.624 13.441 ( 6.704 2.435 2.824) 7.671 13.496 ( 3.690 6.765 -2.173) 8.007 14.076 ( -10.937 10.596 4.913) 16.001 14.110 ( -12.300 15.190 2.374) 19.689 14.374 ( -1.868 13.885 2.014) 14.154 14.490 ( -6.908 14.660 -7.217) 17.740 14.998 ( 12.164 14.114 3.988) 19.054 15.091 ( 12.186 14.184 -5.408) 19.466 16.144 ( -0.745 -1.097 1.565) 2.051 16.187 ( -1.348 -1.100 -2.887) 3.371 16.509 ( -2.340 -2.694 7.894) 8.663 16.640 ( -5.788 -4.752 -5.375) 9.218 17.375 ( 2.083 -5.905 -3.098) 6.986 17.385 ( 1.198 -2.280 -4.255) 4.974 18.093 ( 1.088 -8.030 4.475) 9.257 18.163 ( 2.473 -9.422 -2.894) 10.162 18.250 ( -1.970 -6.149 6.475) 9.144 18.359 ( -2.149 -4.396 -5.056) 7.036 18.751 ( 0.590 -9.866 5.745) 11.432 18.844 ( 0.072 -10.722 -2.550) 11.022 18.991 ( -2.205 -12.224 4.894) 13.351 19.094 ( -2.609 -12.704 -4.843) 13.844 ======================= Grid point 187 (66/81) ======================= q-point: ( 0.40 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 16.587 21.985 12.000) 30.041 3.249 ( 19.129 14.988 -5.182) 24.848 3.407 ( -14.763 16.519 6.759) 23.163 3.468 ( 10.008 18.926 -1.742) 21.480 3.728 ( -10.733 15.387 -7.304) 20.132 3.838 ( 9.870 18.777 -12.635) 24.691 4.014 ( -13.823 17.047 7.845) 23.307 4.252 ( -15.545 18.651 -14.205) 28.130 4.751 ( 10.222 2.340 12.389) 16.231 4.845 ( 3.787 4.663 3.732) 7.072 5.018 ( -0.679 21.982 4.000) 22.353 5.032 ( -1.309 18.123 1.882) 18.267 5.204 ( 5.144 18.506 5.380) 19.947 5.256 ( 7.874 18.499 1.485) 20.160 5.324 ( 0.426 18.966 2.699) 19.162 5.443 ( -0.818 14.057 -5.595) 15.152 5.809 ( 3.633 22.425 4.258) 23.113 5.824 ( 4.548 27.397 3.917) 28.047 5.974 ( -6.370 16.579 -6.208) 18.814 6.003 ( -5.056 27.276 -5.548) 28.290 6.291 ( 4.223 11.032 2.126) 12.003 6.383 ( -2.869 12.256 -4.351) 13.318 6.677 ( 2.368 24.344 -0.069) 24.459 6.690 ( -3.627 9.628 -1.435) 10.388 6.819 ( -4.037 27.876 1.792) 28.223 6.914 ( 1.609 43.488 -6.174) 43.954 6.968 ( -12.874 36.179 0.669) 38.407 7.113 ( -14.371 38.369 -11.995) 42.692 7.855 ( 4.215 3.596 4.304) 7.016 7.928 ( -2.028 4.091 -1.679) 4.865 7.985 ( -0.142 -3.251 -3.450) 4.742 7.993 ( -0.966 -2.115 -3.032) 3.821 8.566 ( 6.074 -8.764 9.467) 14.259 8.636 ( 0.637 -12.673 6.163) 14.106 8.867 ( 5.824 -4.081 -0.199) 7.114 8.950 ( -0.825 -6.811 -4.745) 8.341 9.045 ( 4.662 -8.483 7.182) 12.053 9.080 ( 1.511 -9.552 6.487) 11.645 9.232 ( 4.019 -13.384 -4.928) 14.818 9.282 ( -0.082 -12.539 -7.042) 14.381 9.906 ( 0.904 -0.959 1.436) 1.949 9.938 ( -1.677 -0.209 -0.880) 1.905 10.114 ( 2.731 -5.689 2.731) 6.876 10.199 ( -4.077 -4.491 -4.569) 7.594 10.637 ( 9.758 -3.755 1.284) 10.534 10.665 ( 10.679 -2.921 -1.430) 11.163 10.840 ( -7.090 4.343 2.745) 8.756 10.886 ( -7.159 6.709 -1.746) 9.966 11.102 ( 3.197 12.590 1.023) 13.030 11.122 ( 1.743 12.791 -0.407) 12.915 11.462 ( -1.320 10.909 1.469) 11.087 11.491 ( -3.486 9.700 -1.142) 10.371 11.647 ( 2.407 13.519 4.300) 14.389 11.725 ( 0.642 10.363 -1.872) 10.551 11.785 ( -8.749 15.209 3.250) 17.845 11.866 ( -9.074 9.140 -3.460) 13.336 12.474 ( 4.658 5.679 11.989) 14.060 12.574 ( -4.967 7.506 7.030) 11.421 12.825 ( 10.578 -1.048 -4.758) 11.646 12.955 ( 1.171 2.423 -12.944) 13.221 13.108 ( 5.040 2.628 1.765) 5.951 13.165 ( 6.542 2.138 -3.659) 7.795 13.461 ( -5.019 17.685 4.132) 18.842 13.507 ( -4.088 12.117 -0.760) 12.810 13.900 ( -3.587 9.172 -0.793) 9.880 13.909 ( -3.245 8.242 -2.809) 9.292 14.324 ( -1.388 11.978 2.149) 12.248 14.357 ( -4.463 12.577 -0.810) 13.370 15.254 ( 8.885 11.283 2.855) 14.642 15.302 ( 5.053 11.514 -2.023) 12.735 16.107 ( -1.686 7.868 -0.244) 8.051 16.128 ( -3.286 8.621 -2.229) 9.491 16.480 ( 0.209 -10.839 3.155) 11.291 16.523 ( -3.836 -10.845 -1.212) 11.567 17.411 ( 1.200 -3.344 -3.821) 5.218 17.417 ( 0.861 -2.752 -4.530) 5.370 18.129 ( 2.231 -6.492 6.371) 9.366 18.189 ( -3.016 -5.292 6.026) 8.568 18.231 ( 3.241 -9.118 -3.488) 10.286 18.301 ( -2.986 -6.184 -4.793) 8.375 18.777 ( 1.851 -9.862 6.331) 11.864 18.825 ( -2.015 -10.241 4.053) 11.197 18.971 ( 1.067 -11.453 -2.027) 11.679 19.025 ( -3.286 -11.812 -5.102) 13.280 ======================= Grid point 190 (67/81) ======================= q-point: ( 0.00 0.24 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 0.000 23.994 6.162) 24.772 3.105 ( 0.000 22.824 1.340) 22.863 3.596 ( 0.000 24.905 -2.222) 25.004 3.713 ( 0.000 20.988 -14.377) 25.440 4.290 ( 0.000 5.342 6.694) 8.565 4.334 ( 0.000 3.490 5.526) 6.536 4.546 ( 0.000 9.189 0.744) 9.219 4.584 ( 0.000 7.926 -2.258) 8.241 4.757 ( 0.000 5.367 -6.962) 8.791 4.759 ( 0.000 5.049 -10.057) 11.253 5.096 ( 0.000 10.342 9.621) 14.125 5.271 ( 0.000 13.076 -8.246) 15.459 5.485 ( 0.000 16.012 7.139) 17.531 5.496 ( 0.000 12.254 5.749) 13.535 5.850 ( 0.000 24.505 5.140) 25.039 5.899 ( 0.000 20.744 -1.667) 20.811 6.104 ( 0.000 17.222 14.930) 22.793 6.219 ( 0.000 22.968 5.913) 23.717 6.423 ( 0.000 14.869 -0.414) 14.875 6.570 ( 0.000 16.960 -11.498) 20.490 6.649 ( 0.000 18.524 -5.381) 19.290 6.710 ( 0.000 21.988 -12.082) 25.088 7.016 ( 0.000 6.872 10.996) 12.967 7.269 ( 0.000 5.331 -14.224) 15.190 7.583 ( 0.000 35.167 4.628) 35.470 7.641 ( 0.000 21.001 3.063) 21.223 7.735 ( 0.000 18.038 -3.223) 18.323 7.757 ( 0.000 5.811 1.452) 5.989 7.983 ( 0.000 1.972 6.499) 6.791 8.104 ( 0.000 9.660 1.587) 9.790 8.123 ( 0.000 4.059 -5.443) 6.790 8.176 ( 0.000 0.693 -5.604) 5.647 8.406 ( 0.000 25.070 0.985) 25.089 8.432 ( 0.000 23.480 0.896) 23.497 8.576 ( 0.000 -3.588 -0.499) 3.622 8.645 ( 0.000 -13.104 -5.263) 14.122 8.818 ( 0.000 9.016 1.689) 9.172 8.841 ( 0.000 4.010 -0.211) 4.015 8.919 ( 0.000 -6.326 7.103) 9.512 9.015 ( 0.000 -6.710 -3.160) 7.417 9.890 ( 0.000 -4.538 -1.974) 4.949 9.890 ( 0.000 -1.034 -2.262) 2.487 9.951 ( 0.000 -4.179 7.358) 8.462 10.095 ( 0.000 -5.279 -6.861) 8.657 10.424 ( 0.000 -1.059 0.665) 1.251 10.428 ( 0.000 -0.666 0.550) 0.864 11.030 ( 0.000 -3.969 -0.128) 3.971 11.031 ( 0.000 -0.105 0.143) 0.177 11.275 ( 0.000 12.448 2.749) 12.748 11.309 ( 0.000 14.071 -1.232) 14.125 11.749 ( 0.000 2.798 7.927) 8.406 11.823 ( 0.000 7.387 15.447) 17.122 11.826 ( 0.000 2.220 -2.506) 3.348 12.060 ( 0.000 3.879 11.407) 12.048 12.223 ( 0.000 0.175 -21.474) 21.475 12.241 ( 0.000 6.845 8.694) 11.065 12.318 ( 0.000 -0.158 -4.062) 4.065 12.459 ( 0.000 16.515 -3.933) 16.977 12.939 ( 0.000 6.493 4.352) 7.816 13.050 ( 0.000 6.745 -6.958) 9.691 13.089 ( 0.000 11.634 -0.171) 11.635 13.171 ( 0.000 1.109 -9.240) 9.306 13.342 ( 0.000 2.822 8.573) 9.026 13.522 ( 0.000 5.774 -10.021) 11.565 14.446 ( 0.000 8.804 20.896) 22.675 14.670 ( 0.000 19.999 4.671) 20.537 14.682 ( 0.000 13.952 -3.456) 14.374 14.864 ( 0.000 10.821 -14.663) 18.223 15.172 ( 0.000 18.028 1.899) 18.128 15.227 ( 0.000 19.944 -2.661) 20.121 16.011 ( 0.000 -8.948 2.221) 9.220 16.053 ( 0.000 -8.932 -2.188) 9.197 16.573 ( 0.000 1.988 5.844) 6.173 16.664 ( 0.000 -2.533 -3.907) 4.656 17.258 ( 0.000 -2.617 -0.640) 2.694 17.334 ( 0.000 -0.985 -7.840) 7.901 17.901 ( 0.000 -9.362 2.016) 9.576 17.931 ( 0.000 -10.707 -1.154) 10.769 18.156 ( 0.000 -5.925 8.814) 10.620 18.288 ( 0.000 -5.627 -5.355) 7.768 18.538 ( 0.000 -11.060 4.134) 11.808 18.616 ( 0.000 -11.916 -3.542) 12.431 18.773 ( 0.000 -12.238 5.676) 13.491 18.870 ( 0.000 -12.639 -4.217) 13.324 ======================= Grid point 191 (68/81) ======================= q-point: ( 0.20 0.24 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 11.361 22.232 5.353) 25.534 3.217 ( 9.908 20.890 3.079) 23.324 3.668 ( 6.127 22.789 -2.277) 23.708 3.784 ( 5.589 18.349 -14.212) 23.873 4.134 ( -9.564 11.725 5.338) 16.045 4.260 ( -9.535 9.631 -6.588) 15.069 4.522 ( 0.107 4.412 7.307) 8.536 4.567 ( 0.640 7.848 3.711) 8.705 4.811 ( 1.723 2.927 -4.435) 5.586 4.854 ( -2.922 8.484 -6.675) 11.184 5.074 ( 4.393 5.569 6.418) 9.566 5.221 ( -1.150 8.285 -7.312) 11.109 5.487 ( 0.107 15.513 7.043) 17.037 5.536 ( 3.474 12.337 1.607) 12.917 5.805 ( -2.718 22.190 3.235) 22.589 5.854 ( -4.273 16.871 -2.519) 17.585 6.178 ( 3.823 21.189 10.413) 23.916 6.228 ( 1.910 22.224 8.872) 24.005 6.412 ( -1.698 18.162 1.325) 18.289 6.546 ( -0.805 13.390 -1.472) 13.495 6.640 ( -2.602 24.811 -11.177) 27.336 6.700 ( -1.381 15.862 -6.514) 17.203 6.958 ( -3.142 11.815 3.556) 12.732 7.131 ( -8.661 8.941 -10.371) 16.202 7.539 ( -3.778 32.856 5.382) 33.507 7.651 ( -2.264 28.922 -6.596) 29.751 7.764 ( 5.985 10.575 4.198) 12.856 7.810 ( 3.945 11.287 0.256) 11.960 7.968 ( -1.936 6.396 2.671) 7.197 8.047 ( -7.544 6.571 -4.402) 10.930 8.123 ( 0.029 15.111 0.803) 15.132 8.181 ( -0.276 13.668 -4.746) 14.471 8.380 ( 1.592 12.399 3.991) 13.122 8.432 ( 0.102 14.376 -1.999) 14.515 8.666 ( 6.897 -4.930 0.549) 8.496 8.727 ( 6.389 -9.608 -4.712) 12.463 8.843 ( 2.593 1.862 4.758) 5.729 8.892 ( 0.225 -9.457 6.262) 11.344 8.935 ( 4.322 4.742 0.092) 6.417 9.051 ( 1.663 -6.764 -5.394) 8.810 9.865 ( -0.770 -2.635 0.613) 2.813 9.915 ( 1.246 -2.575 -4.160) 5.049 9.976 ( 1.240 -4.250 8.209) 9.326 10.135 ( 2.176 -4.741 -7.187) 8.881 10.408 ( 1.348 -2.174 1.409) 2.921 10.432 ( 1.493 -2.071 -0.888) 2.703 11.084 ( 3.704 -1.066 3.327) 5.092 11.124 ( 1.857 2.046 1.322) 3.063 11.163 ( -3.132 4.744 0.566) 5.713 11.214 ( -8.767 6.927 -3.416) 11.684 11.645 ( -7.915 0.968 6.707) 10.420 11.722 ( -3.566 8.765 -0.894) 9.505 11.872 ( 2.005 9.069 9.038) 12.960 12.101 ( -4.260 13.210 -7.413) 15.735 12.166 ( -2.308 2.356 13.111) 13.519 12.312 ( 5.566 2.088 11.324) 12.790 12.376 ( -2.426 17.653 -8.477) 19.732 12.502 ( 13.597 -1.140 -8.937) 16.311 12.841 ( -9.385 6.057 -0.559) 11.184 12.943 ( 1.466 4.736 -5.615) 7.490 13.154 ( -2.460 1.296 -3.505) 4.474 13.197 ( 2.446 8.385 -5.866) 10.522 13.525 ( 13.618 6.390 6.404) 16.349 13.655 ( 9.998 8.207 -6.986) 14.701 14.304 ( -10.972 11.852 14.314) 21.581 14.462 ( -14.893 18.640 -1.495) 23.906 14.620 ( -5.488 11.145 0.807) 12.449 14.717 ( -8.835 9.215 -6.423) 14.290 15.309 ( 9.593 16.732 4.744) 19.862 15.407 ( 9.934 17.296 -4.945) 20.550 16.049 ( 3.695 -7.842 1.366) 8.776 16.084 ( 2.843 -8.362 -2.121) 9.084 16.516 ( -5.156 2.702 3.784) 6.943 16.580 ( -7.079 -1.146 -3.153) 7.833 17.289 ( 2.549 -2.801 -0.674) 3.846 17.354 ( 1.519 -1.124 -6.884) 7.139 17.917 ( 1.420 -9.507 2.995) 10.069 17.960 ( 2.437 -10.819 -1.528) 11.194 18.139 ( -1.432 -5.511 8.106) 9.906 18.261 ( -2.317 -5.570 -4.928) 7.790 18.546 ( 0.869 -10.756 4.461) 11.677 18.625 ( 0.617 -11.477 -2.713) 11.810 18.754 ( -1.425 -11.803 4.558) 12.733 18.847 ( -1.944 -12.273 -4.463) 13.204 ======================= Grid point 192 (69/81) ======================= q-point: ( 0.40 0.24 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 12.302 20.892 6.157) 25.015 3.538 ( 15.770 14.274 -0.011) 21.271 3.733 ( -8.111 16.229 3.927) 18.563 3.817 ( -1.215 16.542 -6.493) 17.812 4.048 ( -1.465 16.825 -1.219) 16.933 4.163 ( 10.624 15.032 -11.039) 21.464 4.294 ( -13.740 12.224 9.107) 20.522 4.531 ( -14.908 10.525 -14.056) 23.035 4.771 ( 6.999 0.977 10.312) 12.502 4.872 ( 0.402 0.092 1.335) 1.397 5.205 ( 2.939 2.905 0.775) 4.204 5.219 ( -0.479 4.290 0.210) 4.322 5.527 ( 5.615 13.538 5.831) 15.774 5.655 ( 5.612 13.703 -7.155) 16.446 5.716 ( -7.432 11.785 -0.840) 13.958 5.758 ( -2.216 18.996 -3.812) 19.501 6.225 ( 2.763 20.293 8.103) 22.025 6.307 ( -0.478 19.139 12.088) 22.642 6.350 ( 1.249 21.037 -3.530) 21.367 6.500 ( -8.151 22.604 -3.104) 24.228 6.571 ( 1.935 14.054 4.389) 14.850 6.637 ( -3.668 16.462 4.516) 17.460 6.940 ( 1.282 19.912 -9.250) 21.993 6.994 ( -3.721 18.573 -10.913) 21.861 7.517 ( 2.643 27.948 5.395) 28.587 7.608 ( -2.848 20.542 -3.616) 21.051 7.788 ( -3.130 33.136 -0.199) 33.284 7.825 ( -3.087 21.114 -3.379) 21.604 7.952 ( 3.405 9.504 0.967) 10.142 7.988 ( 0.666 9.357 -2.965) 9.838 8.107 ( -0.727 16.082 -0.823) 16.119 8.126 ( -2.554 19.083 -2.473) 19.412 8.447 ( 2.461 1.490 2.882) 4.072 8.460 ( 1.232 2.665 1.542) 3.317 8.809 ( 4.808 -6.841 1.821) 8.558 8.844 ( 2.377 -7.172 -1.683) 7.740 8.892 ( 1.186 -4.042 7.955) 9.002 8.899 ( 0.908 -5.480 5.817) 8.043 9.023 ( 2.826 -2.647 -5.384) 6.631 9.059 ( -0.761 -7.675 -6.883) 10.337 9.867 ( 1.235 -2.522 4.148) 5.009 9.914 ( -2.198 -1.740 4.971) 5.707 10.013 ( 3.625 -4.580 -3.222) 6.671 10.112 ( -4.121 -4.231 -7.572) 9.604 10.548 ( 11.163 -3.925 2.709) 12.138 10.590 ( 12.571 -3.199 -1.663) 13.078 10.850 ( -14.281 -1.713 4.806) 15.165 10.926 ( -15.533 -1.118 -3.185) 15.896 11.248 ( 7.847 2.609 5.002) 9.664 11.335 ( 6.975 7.915 -2.281) 10.794 11.476 ( -5.104 -2.154 4.395) 7.072 11.600 ( -8.497 4.207 -6.538) 11.517 11.940 ( 4.067 11.576 7.151) 14.202 12.018 ( -2.015 11.835 2.566) 12.277 12.115 ( -0.431 16.639 5.721) 17.600 12.207 ( -6.759 19.255 -3.078) 20.637 12.548 ( 7.527 3.431 8.034) 11.531 12.675 ( -5.486 3.415 3.700) 7.446 12.808 ( 12.169 0.330 -5.650) 13.421 12.996 ( -2.246 2.522 -15.211) 15.582 13.102 ( 2.937 -0.646 2.800) 4.109 13.210 ( -2.126 1.964 -7.583) 8.117 13.800 ( 8.444 15.058 2.962) 17.517 13.833 ( 3.737 17.481 0.195) 17.877 14.112 ( -3.364 12.974 1.814) 13.525 14.160 ( -9.409 14.966 -2.307) 17.828 14.489 ( -4.233 5.115 3.219) 7.378 14.531 ( -7.194 5.813 -0.462) 9.261 15.496 ( 6.175 12.190 4.003) 14.239 15.546 ( 2.022 12.221 -1.024) 12.430 16.175 ( 7.306 -3.065 -0.313) 7.929 16.191 ( 7.389 -4.963 -1.882) 9.098 16.358 ( -8.597 2.175 0.499) 8.882 16.388 ( -9.504 0.738 -2.688) 9.904 17.350 ( 2.461 -2.386 -1.746) 3.847 17.378 ( 0.105 -1.733 -4.449) 4.776 17.962 ( 2.506 -9.769 4.835) 11.185 18.003 ( -0.065 -10.974 2.093) 11.172 18.122 ( 1.371 -4.593 1.930) 5.167 18.193 ( -3.755 -5.419 -3.914) 7.667 18.578 ( 1.936 -10.277 4.945) 11.568 18.621 ( -1.446 -10.430 2.676) 10.864 18.743 ( 1.130 -11.568 -1.401) 11.708 18.792 ( -2.787 -11.702 -4.435) 12.820 ======================= Grid point 195 (70/81) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( 0.000 19.946 2.082) 20.055 3.532 ( 0.000 20.377 -2.954) 20.590 4.061 ( 0.000 21.600 1.303) 21.639 4.129 ( 0.000 20.808 -6.836) 21.902 4.390 ( 0.000 5.114 4.039) 6.517 4.413 ( 0.000 4.614 3.375) 5.716 4.649 ( 0.000 0.709 0.153) 0.726 4.696 ( 0.000 5.565 -4.548) 7.187 4.903 ( 0.000 10.261 -2.593) 10.584 4.965 ( 0.000 13.076 -5.771) 14.293 5.196 ( 0.000 2.429 8.836) 9.163 5.368 ( 0.000 -0.644 -7.407) 7.435 5.645 ( 0.000 4.139 8.394) 9.358 5.738 ( 0.000 8.965 2.249) 9.243 6.101 ( 0.000 3.646 1.498) 3.941 6.116 ( 0.000 1.736 -4.133) 4.483 6.371 ( 0.000 9.118 15.268) 17.783 6.560 ( 0.000 11.559 -0.449) 11.567 6.729 ( 0.000 6.119 -1.915) 6.412 6.752 ( 0.000 7.613 -2.827) 8.121 6.973 ( 0.000 15.099 -2.050) 15.238 7.088 ( 0.000 2.890 -11.382) 11.743 7.222 ( 0.000 17.682 9.133) 19.901 7.425 ( 0.000 21.043 -10.586) 23.556 7.765 ( 0.000 0.084 5.122) 5.123 7.821 ( 0.000 -0.142 0.268) 0.303 7.956 ( 0.000 -1.526 -2.958) 3.329 7.960 ( 0.000 -1.295 -3.307) 3.551 8.078 ( 0.000 1.243 4.984) 5.136 8.174 ( 0.000 8.041 -3.034) 8.595 8.396 ( 0.000 19.929 6.042) 20.825 8.494 ( 0.000 6.229 3.691) 7.240 8.537 ( 0.000 24.368 -7.332) 25.447 8.582 ( 0.000 9.905 -4.826) 11.018 8.723 ( 0.000 5.401 5.480) 7.694 8.817 ( 0.000 15.005 -2.321) 15.184 8.991 ( 0.000 9.667 5.152) 10.954 9.108 ( 0.000 19.178 -4.942) 19.805 9.210 ( 0.000 29.733 0.120) 29.733 9.215 ( 0.000 27.244 0.255) 27.245 9.819 ( 0.000 -1.633 3.061) 3.469 9.889 ( 0.000 1.618 -4.016) 4.329 9.906 ( 0.000 -0.123 5.776) 5.778 10.022 ( 0.000 -2.242 -5.973) 6.380 10.440 ( 0.000 2.728 1.367) 3.052 10.461 ( 0.000 4.188 -0.655) 4.239 10.915 ( 0.000 -6.621 4.280) 7.884 11.002 ( 0.000 -2.041 -4.806) 5.221 11.418 ( 0.000 2.855 2.298) 3.665 11.447 ( 0.000 0.356 -1.438) 1.481 11.753 ( 0.000 -2.988 15.501) 15.787 11.888 ( 0.000 3.580 -1.289) 3.805 11.915 ( 0.000 4.248 2.874) 5.128 11.979 ( 0.000 -7.015 6.376) 9.480 12.299 ( 0.000 -2.020 13.547) 13.697 12.303 ( 0.000 4.379 -15.643) 16.245 12.341 ( 0.000 3.087 -2.126) 3.749 12.699 ( 0.000 6.338 -14.040) 15.404 13.052 ( 0.000 4.653 3.364) 5.742 13.074 ( 0.000 0.138 1.010) 1.019 13.240 ( 0.000 2.575 -3.638) 4.457 13.321 ( 0.000 10.301 -9.000) 13.679 13.500 ( 0.000 12.451 5.968) 13.807 13.661 ( 0.000 9.085 -9.701) 13.290 14.595 ( 0.000 6.409 19.011) 20.062 14.853 ( 0.000 3.119 -7.397) 8.027 15.037 ( 0.000 16.745 3.974) 17.210 15.077 ( 0.000 10.236 -0.737) 10.262 15.529 ( 0.000 16.701 3.293) 17.023 15.612 ( 0.000 18.709 -4.494) 19.241 15.844 ( 0.000 -5.842 -0.081) 5.843 15.859 ( 0.000 -10.167 -1.752) 10.316 16.622 ( 0.000 2.913 0.752) 3.009 16.628 ( 0.000 -1.115 -0.691) 1.312 17.226 ( 0.000 -1.346 0.329) 1.386 17.319 ( 0.000 -0.949 -8.248) 8.303 17.718 ( 0.000 -9.155 0.563) 9.172 17.721 ( 0.000 -10.419 0.150) 10.421 18.036 ( 0.000 -6.250 9.144) 11.076 18.168 ( 0.000 -6.466 -4.914) 8.122 18.321 ( 0.000 -10.666 2.928) 11.061 18.381 ( 0.000 -11.712 -3.135) 12.125 18.544 ( 0.000 -10.940 5.515) 12.251 18.634 ( 0.000 -11.256 -3.791) 11.878 ======================= Grid point 196 (71/81) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 7.792 17.903 2.640) 19.702 3.625 ( 7.688 18.988 -2.593) 20.648 4.076 ( 0.781 18.238 1.367) 18.306 4.156 ( 1.639 18.586 -7.783) 20.216 4.344 ( -2.543 9.559 4.446) 10.845 4.428 ( -0.601 7.413 -2.067) 7.720 4.595 ( -3.484 3.238 4.736) 6.712 4.691 ( 1.567 4.412 -3.468) 5.827 4.902 ( -2.305 7.520 1.925) 8.098 5.030 ( -2.688 9.618 -9.666) 13.898 5.150 ( 2.148 3.365 8.463) 9.358 5.306 ( -2.551 1.791 -6.666) 7.359 5.673 ( 2.948 3.662 3.904) 6.110 5.702 ( -2.380 6.716 3.442) 7.913 6.033 ( -5.837 3.053 -0.827) 6.639 6.064 ( -3.164 4.993 -2.429) 6.391 6.475 ( 6.113 5.956 13.855) 16.273 6.572 ( 0.201 12.527 5.158) 13.549 6.727 ( -0.275 12.449 1.312) 12.520 6.771 ( 0.694 6.631 -4.806) 8.219 6.933 ( -1.518 7.426 -4.600) 8.866 7.016 ( -4.186 12.021 -5.533) 13.880 7.245 ( 1.185 16.130 6.053) 17.269 7.443 ( 0.755 22.941 -11.098) 25.496 7.794 ( -0.514 -0.564 -0.921) 1.196 7.821 ( -2.463 -2.566 -3.772) 5.185 7.907 ( 0.592 1.857 3.391) 3.911 7.947 ( 1.770 6.756 -1.457) 7.134 8.122 ( 2.799 5.181 3.466) 6.832 8.214 ( 2.462 5.682 -4.183) 7.473 8.446 ( 2.527 12.138 3.479) 12.877 8.524 ( 1.515 16.739 -0.440) 16.813 8.547 ( -0.042 -2.369 -1.449) 2.778 8.598 ( 3.360 17.136 -1.030) 17.492 8.750 ( 2.263 7.013 6.221) 9.644 8.851 ( 2.483 19.109 -2.898) 19.486 8.971 ( -1.551 11.845 4.942) 12.928 9.078 ( -0.929 20.672 -4.617) 21.202 9.182 ( -2.552 28.104 0.935) 28.235 9.226 ( 0.116 22.942 -2.691) 23.100 9.814 ( -0.205 -1.493 3.356) 3.679 9.890 ( 1.257 0.484 -3.526) 3.774 9.914 ( -0.583 -1.632 6.863) 7.079 10.061 ( 1.828 -2.946 -7.108) 7.909 10.403 ( -0.497 1.853 2.618) 3.246 10.450 ( 0.912 3.992 -2.153) 4.626 11.022 ( 7.471 -4.063 6.082) 10.455 11.113 ( 4.796 -1.427 -2.047) 5.406 11.207 ( -10.271 -0.004 0.020) 10.271 11.252 ( -13.885 -1.620 -4.263) 14.615 11.672 ( -6.524 0.844 12.796) 14.388 11.860 ( -5.336 3.984 -4.661) 8.128 11.966 ( 3.601 1.943 7.364) 8.424 12.088 ( 4.575 -4.857 4.082) 7.822 12.280 ( 0.307 2.172 5.074) 5.528 12.394 ( 8.542 3.822 7.162) 11.784 12.496 ( 11.643 1.388 -10.464) 15.716 12.658 ( -3.312 9.507 -10.402) 14.476 12.935 ( -6.204 3.029 -0.851) 6.956 13.023 ( -2.066 3.453 -6.818) 7.916 13.235 ( -3.463 5.792 -0.178) 6.751 13.326 ( -0.224 6.256 -5.555) 8.369 13.691 ( 14.146 9.648 4.457) 17.694 13.810 ( 12.826 7.621 -7.663) 16.772 14.498 ( -7.771 7.525 16.014) 19.325 14.726 ( -12.322 4.160 -8.106) 15.325 14.824 ( -12.580 12.062 6.630) 18.647 14.920 ( -12.013 11.731 -3.186) 17.090 15.599 ( 3.774 10.101 7.656) 13.225 15.721 ( 2.878 11.939 -4.618) 13.121 15.922 ( 9.490 -0.679 -0.869) 9.554 15.930 ( 6.535 -4.541 -1.505) 8.099 16.566 ( -4.997 1.038 0.427) 5.122 16.597 ( -3.214 3.324 -2.250) 5.143 17.252 ( 2.319 -1.612 0.532) 2.874 17.332 ( 0.965 -1.397 -6.968) 7.172 17.729 ( 1.099 -9.371 1.510) 9.555 17.748 ( 2.234 -10.458 -0.560) 10.709 18.027 ( -0.721 -5.845 8.218) 10.110 18.142 ( -2.207 -6.430 -4.018) 7.897 18.338 ( 1.444 -10.235 3.043) 10.775 18.400 ( 1.522 -11.188 -2.924) 11.663 18.532 ( -1.041 -10.715 4.785) 11.781 18.617 ( -1.495 -11.028 -3.885) 11.787 ======================= Grid point 197 (72/81) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( 11.598 13.121 1.503) 17.576 3.821 ( 8.729 16.011 -0.016) 18.236 4.037 ( -4.401 14.578 2.455) 15.425 4.108 ( -7.534 12.883 -4.245) 15.516 4.366 ( 3.344 14.736 0.718) 15.127 4.436 ( 6.307 12.153 -5.163) 14.633 4.494 ( -6.136 7.465 6.968) 11.913 4.678 ( -9.418 4.291 -10.977) 15.086 4.826 ( 2.210 5.695 6.503) 8.922 4.911 ( -3.474 5.228 -1.986) 6.583 5.261 ( 3.518 3.680 1.051) 5.199 5.288 ( -0.447 4.065 -1.751) 4.449 5.699 ( 3.864 4.961 5.001) 8.034 5.803 ( 8.181 3.609 -6.325) 10.952 5.864 ( -8.796 3.745 2.815) 9.966 5.975 ( -5.965 4.636 -7.005) 10.303 6.523 ( 0.431 4.449 13.069) 13.812 6.563 ( -2.377 10.292 11.563) 15.661 6.752 ( 2.653 17.708 -4.352) 18.427 6.784 ( 1.361 9.965 -0.969) 10.104 6.920 ( -1.448 13.719 -2.500) 14.019 6.948 ( -1.583 12.450 5.295) 13.621 7.297 ( 4.239 14.486 -2.498) 15.299 7.406 ( -4.329 18.455 -9.940) 21.404 7.760 ( -0.877 2.972 -4.489) 5.455 7.765 ( -1.303 2.522 -4.461) 5.287 7.966 ( 2.594 6.457 1.292) 7.077 7.991 ( 0.579 6.827 -1.110) 6.941 8.203 ( 4.294 7.174 3.328) 8.999 8.257 ( 0.388 5.325 -1.651) 5.588 8.456 ( -0.261 11.667 -1.257) 11.737 8.485 ( -2.488 8.912 -3.574) 9.919 8.621 ( 3.734 2.121 5.331) 6.845 8.660 ( 0.715 1.550 2.012) 2.639 8.811 ( 3.021 11.500 5.185) 12.971 8.868 ( -1.752 17.795 -1.467) 17.941 8.975 ( 3.258 21.480 5.347) 22.374 9.070 ( -3.409 20.677 -1.319) 20.998 9.141 ( 1.996 23.273 -2.839) 23.531 9.204 ( -2.250 19.862 -5.498) 20.731 9.822 ( 1.247 -1.577 5.850) 6.186 9.871 ( -2.806 -2.684 8.488) 9.333 9.948 ( 3.739 -1.261 -6.459) 7.569 10.037 ( -3.646 -3.231 -7.929) 9.306 10.509 ( 9.933 0.343 3.880) 10.669 10.572 ( 10.009 1.454 -2.568) 10.435 10.814 ( -14.944 -1.283 4.850) 15.763 10.892 ( -16.116 -1.684 -3.315) 16.539 11.253 ( 10.224 -0.942 6.641) 12.228 11.384 ( 8.759 -1.504 -5.355) 10.376 11.502 ( -6.080 3.851 7.297) 10.249 11.672 ( -10.807 2.600 -8.089) 13.747 12.048 ( 3.989 0.285 11.141) 11.837 12.119 ( -1.472 -0.781 11.560) 11.680 12.330 ( 4.754 4.248 -2.210) 6.747 12.469 ( -5.779 5.527 -7.364) 10.870 12.658 ( 4.808 7.917 1.516) 9.386 12.699 ( 2.061 2.552 -2.869) 4.358 12.910 ( 7.217 7.446 1.463) 10.472 13.086 ( 6.622 3.030 -11.897) 13.949 13.106 ( -7.090 3.969 2.103) 8.393 13.259 ( -5.829 3.837 -9.668) 11.923 14.039 ( 14.909 8.385 3.506) 17.461 14.096 ( 9.657 8.973 -2.008) 13.334 14.363 ( -1.557 10.862 3.616) 11.553 14.420 ( -11.148 9.071 -1.610) 14.463 14.555 ( -10.649 3.311 6.196) 12.758 14.636 ( -12.643 6.021 -1.933) 14.137 15.664 ( 2.543 3.791 5.399) 7.071 15.715 ( -1.882 3.949 0.228) 4.380 16.116 ( 8.756 1.837 1.792) 9.124 16.158 ( 8.179 4.413 -1.962) 9.498 16.430 ( -5.385 3.533 -1.195) 6.550 16.480 ( -6.829 5.527 -5.505) 10.368 17.311 ( 2.504 -1.998 -0.840) 3.312 17.343 ( -0.312 -2.039 -3.920) 4.429 17.765 ( 1.977 -9.778 2.907) 10.391 17.789 ( 0.555 -10.446 0.776) 10.489 18.024 ( 1.135 -5.342 3.554) 6.516 18.079 ( -3.235 -6.018 -2.011) 7.122 18.381 ( 2.300 -9.607 3.570) 10.504 18.421 ( -0.581 -9.769 1.156) 9.854 18.522 ( 1.060 -10.812 -0.229) 10.866 18.571 ( -2.589 -10.764 -3.664) 11.662 ======================= Grid point 200 (73/81) ======================= q-point: ( 0.00 0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.841 ( 0.000 15.920 1.496) 15.990 3.895 ( 0.000 16.332 -4.361) 16.904 4.381 ( 0.000 9.055 3.634) 9.757 4.445 ( 0.000 7.264 -3.564) 8.091 4.546 ( 0.000 9.806 1.139) 9.872 4.549 ( 0.000 13.573 0.791) 13.596 4.658 ( 0.000 1.263 3.632) 3.845 4.789 ( 0.000 4.815 -9.386) 10.549 5.139 ( 0.000 12.739 3.926) 13.331 5.154 ( 0.000 4.311 7.451) 8.608 5.298 ( 0.000 9.727 -5.608) 11.227 5.325 ( 0.000 -2.494 -3.756) 4.509 5.685 ( 0.000 0.542 6.565) 6.587 5.842 ( 0.000 1.669 -6.622) 6.830 6.066 ( 0.000 -4.019 3.092) 5.071 6.089 ( 0.000 -3.394 4.447) 5.594 6.456 ( 0.000 0.015 10.161) 10.161 6.651 ( 0.000 -6.351 -2.869) 6.969 6.732 ( 0.000 4.063 -8.290) 9.233 6.826 ( 0.000 1.095 -9.055) 9.121 7.039 ( 0.000 -6.762 4.321) 8.025 7.148 ( 0.000 -0.197 -4.730) 4.734 7.520 ( 0.000 1.823 12.806) 12.935 7.686 ( 0.000 -10.358 -3.793) 11.031 7.782 ( 0.000 9.167 2.300) 9.451 7.806 ( 0.000 10.199 4.340) 11.084 7.959 ( 0.000 3.924 -5.513) 6.767 7.961 ( 0.000 9.573 -7.178) 11.965 8.232 ( 0.000 10.503 -1.269) 10.579 8.259 ( 0.000 5.087 -2.214) 5.548 8.617 ( 0.000 10.305 3.248) 10.804 8.682 ( 0.000 7.931 -2.971) 8.470 8.806 ( 0.000 16.584 8.084) 18.449 8.911 ( 0.000 13.096 -1.445) 13.175 9.098 ( 0.000 23.477 1.485) 23.524 9.176 ( 0.000 16.289 -2.612) 16.498 9.345 ( 0.000 23.822 6.194) 24.614 9.451 ( 0.000 10.345 -2.346) 10.607 9.628 ( 0.000 12.013 -1.349) 12.088 9.644 ( 0.000 14.162 -3.200) 14.519 9.832 ( 0.000 2.441 5.949) 6.430 9.942 ( 0.000 -0.628 -5.337) 5.374 10.039 ( 0.000 14.434 1.332) 14.496 10.060 ( 0.000 10.259 -0.757) 10.287 10.534 ( 0.000 7.117 2.927) 7.695 10.590 ( 0.000 8.586 -2.643) 8.984 10.822 ( 0.000 -1.431 8.571) 8.690 10.989 ( 0.000 1.563 -8.973) 9.108 11.353 ( 0.000 -8.636 -0.263) 8.640 11.367 ( 0.000 -7.951 -1.609) 8.112 11.723 ( 0.000 1.535 15.295) 15.371 11.854 ( 0.000 -4.252 3.984) 5.827 11.950 ( 0.000 1.108 2.030) 2.313 11.988 ( 0.000 1.981 -0.742) 2.116 12.239 ( 0.000 -2.416 12.201) 12.438 12.374 ( 0.000 3.635 -14.685) 15.129 12.390 ( 0.000 2.087 1.185) 2.400 12.713 ( 0.000 -3.380 -20.062) 20.345 13.104 ( 0.000 2.303 6.175) 6.590 13.107 ( 0.000 1.137 1.222) 1.669 13.281 ( 0.000 1.736 -0.790) 1.907 13.458 ( 0.000 3.729 -13.890) 14.382 13.729 ( 0.000 9.055 5.257) 10.470 13.863 ( 0.000 9.632 -7.501) 12.208 14.708 ( 0.000 5.537 12.721) 13.873 14.833 ( 0.000 -3.936 -0.515) 3.969 15.222 ( 0.000 4.781 7.812) 9.159 15.309 ( 0.000 10.576 1.736) 10.718 15.678 ( 0.000 -6.806 1.574) 6.986 15.727 ( 0.000 4.137 -0.196) 4.142 15.909 ( 0.000 11.195 -2.064) 11.384 15.953 ( 0.000 15.073 -5.608) 16.082 16.609 ( 0.000 -1.214 2.966) 3.205 16.682 ( 0.000 2.959 -3.895) 4.891 17.174 ( 0.000 -4.632 1.473) 4.860 17.282 ( 0.000 -3.234 -8.694) 9.276 17.545 ( 0.000 -6.663 0.979) 6.735 17.556 ( 0.000 -6.700 -0.105) 6.700 17.911 ( 0.000 -6.404 8.396) 10.560 18.035 ( 0.000 -7.145 -4.455) 8.420 18.130 ( 0.000 -8.502 1.951) 8.723 18.169 ( 0.000 -9.557 -2.125) 9.790 18.349 ( 0.000 -8.737 5.107) 10.120 18.431 ( 0.000 -9.282 -3.432) 9.896 ======================= Grid point 201 (74/81) ======================= q-point: ( 0.20 0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( 5.100 14.896 1.715) 15.838 3.955 ( 5.171 14.753 -4.355) 16.228 4.367 ( -2.253 10.849 2.378) 11.333 4.424 ( -1.410 7.545 -3.008) 8.244 4.535 ( -0.272 7.496 1.166) 7.591 4.558 ( 0.791 7.095 0.208) 7.142 4.647 ( -1.904 3.599 5.111) 6.535 4.786 ( -0.026 5.644 -8.789) 10.446 5.070 ( -4.079 8.816 5.843) 11.335 5.205 ( -6.556 6.290 -6.762) 11.325 5.245 ( 5.764 7.511 6.256) 11.348 5.367 ( 2.887 6.070 -4.802) 8.260 5.717 ( 3.347 1.185 3.443) 4.945 5.782 ( -3.602 2.032 -1.204) 4.307 6.030 ( -3.654 -1.813 2.658) 4.868 6.085 ( -1.204 -1.689 -0.199) 2.083 6.474 ( 1.150 -3.232 10.316) 10.871 6.711 ( 5.425 -4.680 -1.144) 7.256 6.750 ( -0.744 1.336 -5.800) 5.998 6.891 ( 3.865 2.931 -4.092) 6.346 6.926 ( -3.126 -5.200 3.970) 7.250 7.139 ( -2.451 -2.155 -11.679) 12.126 7.501 ( -2.003 3.424 14.253) 14.794 7.719 ( 1.362 -7.366 -5.837) 9.497 7.800 ( 2.560 7.023 0.980) 7.538 7.856 ( -4.908 9.655 -4.442) 11.706 7.940 ( 8.213 6.330 3.438) 10.925 8.029 ( 4.000 7.958 -4.351) 9.913 8.279 ( 4.103 10.782 -0.643) 11.555 8.310 ( 4.109 5.397 -2.433) 7.206 8.585 ( -2.694 9.456 2.185) 10.072 8.625 ( -3.957 9.705 -1.360) 10.568 8.827 ( 0.945 13.581 5.782) 14.791 8.904 ( -0.812 12.238 -1.151) 12.319 9.074 ( -1.923 19.588 3.363) 19.967 9.141 ( -3.281 13.371 -0.712) 13.786 9.395 ( 4.174 24.055 4.025) 24.744 9.478 ( 2.697 13.599 -2.572) 14.101 9.618 ( -0.951 10.300 -1.744) 10.490 9.629 ( -0.470 15.156 -3.286) 15.515 9.855 ( 0.894 5.443 6.527) 8.546 9.956 ( 1.225 5.385 -2.082) 5.902 10.000 ( -3.984 11.569 -0.566) 12.249 10.031 ( -1.731 3.658 -2.977) 5.024 10.495 ( -0.369 7.947 4.570) 9.175 10.578 ( 0.208 8.643 -3.968) 9.513 10.965 ( 8.889 -1.028 8.977) 12.675 11.103 ( 2.448 0.286 -3.478) 4.263 11.164 ( -12.719 -4.641 -1.465) 13.619 11.190 ( -5.384 -3.317 -5.705) 8.517 11.660 ( -5.031 -1.669 14.499) 15.438 11.814 ( -5.100 -5.761 3.037) 8.271 12.039 ( 4.117 0.407 2.978) 5.098 12.057 ( 2.356 5.108 -0.374) 5.638 12.268 ( 1.750 -1.270 5.564) 5.969 12.370 ( 5.846 -3.657 -7.052) 9.863 12.574 ( 11.299 3.795 -2.301) 12.139 12.757 ( 4.197 1.069 -14.360) 14.999 12.981 ( -4.070 2.321 2.735) 5.425 13.076 ( -4.839 2.654 -6.716) 8.693 13.308 ( -0.633 1.723 4.291) 4.667 13.457 ( -1.304 5.113 -9.036) 10.464 13.850 ( 9.423 5.166 3.043) 11.169 13.951 ( 9.344 6.036 -6.701) 12.986 14.611 ( -7.819 4.519 10.962) 14.203 14.716 ( -9.792 -2.900 -0.031) 10.213 15.011 ( -14.370 6.664 7.518) 17.533 15.123 ( -15.196 7.567 -4.008) 17.443 15.656 ( 1.602 0.238 9.904) 10.036 15.806 ( 0.142 2.368 -5.560) 6.046 16.008 ( 9.186 8.897 3.080) 13.154 16.099 ( 10.836 12.382 -5.889) 17.476 16.571 ( -3.517 -0.506 3.604) 5.061 16.670 ( -1.833 3.612 -5.971) 7.215 17.191 ( 1.681 -5.420 1.107) 5.782 17.283 ( 0.015 -4.109 -7.475) 8.530 17.568 ( 1.235 -6.193 0.823) 6.368 17.576 ( 2.469 -6.190 0.003) 6.664 17.912 ( 0.004 -5.763 7.662) 9.588 18.014 ( -1.820 -6.565 -2.856) 7.387 18.153 ( 1.839 -8.409 1.681) 8.771 18.195 ( 2.368 -9.431 -2.544) 10.051 18.338 ( -1.005 -8.809 4.725) 10.047 18.417 ( -1.308 -9.244 -3.463) 9.958 ======================= Grid point 202 (75/81) ======================= q-point: ( 0.40 0.35 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.048 ( 7.474 11.364 1.247) 13.659 4.087 ( 5.156 11.375 -2.852) 12.811 4.296 ( -3.312 11.449 1.081) 11.967 4.329 ( -6.570 9.888 -1.498) 11.966 4.557 ( 1.927 2.409 3.009) 4.310 4.587 ( 0.321 2.902 0.639) 2.988 4.621 ( 1.910 7.557 1.280) 7.899 4.731 ( -5.591 2.124 -7.613) 9.681 5.018 ( 0.450 13.079 2.775) 13.378 5.075 ( -4.315 10.548 -2.595) 11.688 5.367 ( 3.799 7.134 1.569) 8.233 5.404 ( 0.083 7.602 -2.260) 7.931 5.764 ( 3.327 2.380 4.257) 5.904 5.845 ( 7.421 0.839 -3.574) 8.279 5.905 ( -6.865 1.809 3.872) 8.087 6.011 ( -5.802 0.122 -5.182) 7.780 6.516 ( 3.352 -3.381 13.639) 14.446 6.631 ( -6.836 -2.120 11.529) 13.570 6.850 ( 6.110 -5.788 -9.578) 12.750 6.951 ( -1.770 -1.779 -11.340) 11.614 6.977 ( 5.956 0.883 2.678) 6.590 7.083 ( -2.461 0.974 -4.835) 5.512 7.474 ( 1.869 1.548 6.402) 6.846 7.612 ( -8.676 0.346 -5.889) 10.492 7.849 ( 1.990 7.274 -1.135) 7.626 7.853 ( 1.640 7.750 -1.698) 8.102 8.095 ( 4.493 6.732 1.566) 8.244 8.116 ( 2.411 6.155 -0.264) 6.616 8.388 ( 4.849 10.803 -0.365) 11.847 8.413 ( 4.234 9.267 -2.245) 10.433 8.515 ( -2.887 6.883 0.875) 7.515 8.541 ( -3.540 8.432 -1.423) 9.256 8.841 ( 0.862 12.192 3.740) 12.782 8.874 ( -1.756 12.404 0.337) 12.533 9.029 ( -1.375 11.977 3.659) 12.599 9.053 ( -3.547 9.378 2.311) 10.289 9.497 ( 4.254 21.111 1.505) 21.588 9.549 ( 1.175 18.498 -2.962) 18.771 9.600 ( 1.372 14.886 0.313) 14.952 9.642 ( 0.296 18.256 -3.586) 18.607 9.835 ( -1.124 4.911 4.977) 7.081 9.889 ( -5.078 7.772 0.341) 9.290 9.991 ( 1.346 6.797 -2.143) 7.252 10.008 ( -0.405 2.615 -3.191) 4.145 10.572 ( 7.205 6.038 3.875) 10.168 10.642 ( 5.886 5.412 -3.316) 8.656 10.809 ( -12.497 0.588 3.245) 12.925 10.866 ( -12.650 -1.182 -2.682) 12.985 11.238 ( 10.732 -0.246 8.110) 13.454 11.369 ( 5.632 0.557 -2.567) 6.215 11.534 ( -2.770 -1.326 6.081) 6.812 11.667 ( -8.064 -3.344 -2.947) 9.214 12.054 ( 0.381 2.090 6.297) 6.645 12.080 ( -1.000 -0.447 8.959) 9.026 12.334 ( 4.520 -1.670 -6.403) 8.013 12.433 ( -2.655 -5.407 -12.662) 14.022 12.805 ( 6.422 5.851 2.908) 9.161 12.849 ( 1.228 8.431 -0.128) 8.521 13.006 ( 6.329 3.813 -0.998) 7.456 13.075 ( 6.549 -1.030 -5.111) 8.371 13.223 ( -4.244 3.998 -0.664) 5.869 13.356 ( -8.319 4.141 -10.436) 13.974 14.093 ( 10.140 -3.190 2.925) 11.024 14.178 ( 5.912 -1.436 -5.523) 8.217 14.481 ( -2.024 1.759 5.944) 6.521 14.525 ( 0.774 5.822 1.771) 6.134 14.674 ( -15.290 7.079 7.096) 18.283 14.767 ( -15.663 6.304 -2.578) 17.079 15.710 ( 2.923 3.325 5.960) 7.425 15.772 ( -2.473 4.092 -0.434) 4.801 16.224 ( 9.349 6.410 5.662) 12.671 16.323 ( 6.089 10.167 -2.033) 12.024 16.472 ( -2.822 0.392 -0.140) 2.853 16.577 ( -6.494 4.439 -8.269) 11.413 17.239 ( 2.203 -6.354 -1.368) 6.863 17.274 ( -0.956 -5.738 -4.701) 7.479 17.607 ( 1.913 -5.243 1.895) 5.894 17.623 ( 0.994 -5.419 0.287) 5.517 17.918 ( 1.004 -5.263 4.197) 6.806 17.962 ( -2.603 -5.778 -0.381) 6.348 18.205 ( 2.718 -8.112 2.599) 8.941 18.244 ( 0.499 -8.020 0.030) 8.036 18.321 ( 0.699 -9.578 0.757) 9.633 18.372 ( -2.706 -9.339 -3.240) 10.249 ======================= Grid point 205 (76/81) ======================= q-point: ( 0.00 0.41 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( 0.000 11.429 1.756) 11.564 4.164 ( 0.000 10.725 -3.563) 11.302 4.478 ( 0.000 2.862 2.678) 3.920 4.537 ( 0.000 3.289 -3.681) 4.936 4.643 ( 0.000 1.045 3.730) 3.874 4.708 ( 0.000 5.473 -2.587) 6.054 4.819 ( 0.000 7.872 1.327) 7.983 4.881 ( 0.000 2.617 -5.265) 5.879 5.243 ( 0.000 6.876 6.858) 9.711 5.321 ( 0.000 3.807 0.166) 3.811 5.373 ( 0.000 9.994 3.718) 10.663 5.472 ( 0.000 6.253 -3.734) 7.283 5.677 ( 0.000 -1.325 4.105) 4.314 5.794 ( 0.000 -5.646 -7.190) 9.142 6.005 ( 0.000 -4.433 4.834) 6.559 6.030 ( 0.000 -0.348 -0.151) 0.379 6.432 ( 0.000 -0.185 2.844) 2.850 6.516 ( 0.000 -5.027 -5.921) 7.767 6.818 ( 0.000 3.558 -2.034) 4.099 6.833 ( 0.000 -12.278 6.526) 13.904 6.867 ( 0.000 3.508 -4.422) 5.645 6.999 ( 0.000 -10.952 -7.517) 13.283 7.389 ( 0.000 -10.026 3.705) 10.688 7.445 ( 0.000 -12.955 -1.305) 13.021 7.947 ( 0.000 6.392 6.092) 8.830 7.968 ( 0.000 6.043 5.726) 8.325 8.148 ( 0.000 11.889 -1.470) 11.980 8.197 ( 0.000 9.733 -3.244) 10.259 8.389 ( 0.000 7.607 -2.121) 7.897 8.427 ( 0.000 8.694 -6.991) 11.156 8.817 ( 0.000 9.287 2.549) 9.630 8.853 ( 0.000 8.304 -0.948) 8.358 9.119 ( 0.000 14.519 4.968) 15.345 9.168 ( 0.000 12.089 -0.158) 12.090 9.439 ( 0.000 9.885 5.432) 11.279 9.461 ( 0.000 11.451 2.780) 11.784 9.563 ( 0.000 6.434 2.756) 7.000 9.657 ( 0.000 6.029 -6.414) 8.802 9.721 ( 0.000 -2.342 3.431) 4.154 9.800 ( 0.000 2.909 -4.621) 5.460 9.935 ( 0.000 6.575 2.700) 7.108 10.014 ( 0.000 10.883 -4.670) 11.843 10.259 ( 0.000 5.552 -0.216) 5.556 10.260 ( 0.000 6.367 -0.216) 6.371 10.717 ( 0.000 10.204 3.549) 10.804 10.770 ( 0.000 9.085 -0.981) 9.138 10.879 ( 0.000 5.677 9.171) 10.785 11.068 ( 0.000 5.304 -9.907) 11.238 11.178 ( 0.000 -7.085 -0.112) 7.086 11.185 ( 0.000 -8.218 -0.468) 8.232 11.777 ( 0.000 2.542 9.654) 9.983 11.806 ( 0.000 -0.792 7.224) 7.267 11.929 ( 0.000 -2.744 1.455) 3.106 11.952 ( 0.000 -4.440 1.893) 4.827 12.262 ( 0.000 4.066 8.168) 9.124 12.443 ( 0.000 3.858 -2.641) 4.675 12.464 ( 0.000 4.935 -14.439) 15.259 12.617 ( 0.000 -5.547 -16.658) 17.557 13.120 ( 0.000 0.699 1.157) 1.351 13.149 ( 0.000 2.032 4.787) 5.200 13.298 ( 0.000 0.045 -2.686) 2.687 13.475 ( 0.000 -1.812 -14.595) 14.707 13.829 ( 0.000 1.502 5.418) 5.623 13.960 ( 0.000 -0.652 -7.796) 7.823 14.786 ( 0.000 1.061 11.184) 11.234 14.821 ( 0.000 5.651 7.379) 9.294 15.295 ( 0.000 3.118 4.993) 5.886 15.424 ( 0.000 0.680 -7.329) 7.361 15.632 ( 0.000 2.885 14.029) 14.322 15.802 ( 0.000 3.084 -1.863) 3.603 16.107 ( 0.000 7.908 -0.248) 7.912 16.197 ( 0.000 9.180 -8.980) 12.842 16.576 ( 0.000 -1.772 7.023) 7.243 16.721 ( 0.000 0.254 -7.675) 7.679 17.057 ( 0.000 -5.499 2.079) 5.879 17.189 ( 0.000 -5.583 -10.480) 11.875 17.469 ( 0.000 -1.620 1.613) 2.286 17.470 ( 0.000 -2.182 1.267) 2.523 17.795 ( 0.000 -5.026 6.441) 8.170 17.890 ( 0.000 -7.238 -2.910) 7.801 17.993 ( 0.000 -5.358 1.394) 5.537 18.014 ( 0.000 -6.186 -0.736) 6.229 18.212 ( 0.000 -4.974 3.271) 5.953 18.274 ( 0.000 -6.553 -2.875) 7.156 ======================= Grid point 206 (77/81) ======================= q-point: ( 0.20 0.41 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.153 ( 3.539 10.853 1.524) 11.517 4.202 ( 3.208 10.116 -3.480) 11.168 4.497 ( 1.593 2.540 2.079) 3.649 4.535 ( -0.446 5.005 -2.040) 5.423 4.602 ( -2.555 0.013 1.687) 3.062 4.637 ( -5.599 4.760 -1.612) 7.524 4.778 ( -2.979 4.660 1.628) 5.765 4.854 ( -3.355 0.301 -5.391) 6.357 5.268 ( 1.922 11.468 4.361) 12.419 5.321 ( -0.892 7.795 0.100) 7.847 5.420 ( 4.099 8.619 4.258) 10.451 5.505 ( 3.140 6.027 -2.864) 7.375 5.717 ( 3.606 -1.639 4.118) 5.714 5.796 ( -0.158 -0.350 -3.752) 3.772 5.990 ( -0.683 -2.948 3.734) 4.806 6.041 ( -0.185 -1.590 -1.119) 1.953 6.417 ( -0.501 -1.177 3.950) 4.152 6.551 ( 3.239 -7.514 -8.729) 11.964 6.704 ( -7.887 -8.251 7.482) 13.648 6.849 ( -0.299 -5.437 -6.164) 8.225 6.899 ( 3.121 2.117 0.806) 3.856 7.020 ( 1.793 -4.687 -9.130) 10.418 7.394 ( -0.930 -10.229 5.619) 11.708 7.473 ( 1.680 -13.966 -2.345) 14.261 7.962 ( 2.136 7.624 3.800) 8.782 7.997 ( 1.782 6.000 1.509) 6.438 8.172 ( 2.523 11.814 2.189) 12.277 8.226 ( 2.013 8.549 -1.367) 8.888 8.437 ( 4.221 7.267 -0.921) 8.454 8.482 ( 4.774 8.719 -5.954) 11.587 8.782 ( -2.862 9.546 2.668) 10.316 8.823 ( -2.604 8.967 -1.235) 9.419 9.099 ( -1.471 13.384 4.246) 14.118 9.143 ( -2.039 11.280 -0.219) 11.465 9.373 ( -5.067 10.510 4.283) 12.429 9.388 ( -6.042 10.137 2.687) 12.103 9.608 ( 3.088 5.764 2.275) 6.924 9.667 ( 0.074 1.144 -1.624) 1.988 9.728 ( 2.570 3.969 0.285) 4.737 9.801 ( 0.422 1.909 -4.987) 5.357 9.994 ( 3.706 7.295 1.682) 8.353 10.045 ( 1.552 9.339 -3.047) 9.945 10.217 ( -2.688 7.567 -0.014) 8.030 10.227 ( -2.122 7.888 -1.031) 8.233 10.696 ( -0.377 10.486 3.719) 11.133 10.760 ( -0.903 8.521 -2.706) 8.986 10.970 ( 1.371 -0.748 7.861) 8.015 11.050 ( -9.594 -5.647 -2.055) 11.321 11.078 ( -0.550 0.408 2.418) 2.513 11.205 ( 8.652 3.855 -8.025) 12.415 11.645 ( -7.265 0.885 12.007) 14.062 11.734 ( -5.978 -1.802 4.761) 7.852 12.007 ( 3.943 -2.955 6.771) 8.374 12.117 ( 8.699 -1.971 -4.871) 10.163 12.287 ( 2.802 3.908 1.597) 5.068 12.347 ( -3.829 2.378 -7.441) 8.700 12.620 ( 9.035 1.703 -5.234) 10.579 12.719 ( 9.212 -3.906 -12.320) 15.871 13.053 ( -1.559 4.983 2.635) 5.848 13.143 ( -3.262 3.859 -5.536) 7.495 13.311 ( 0.606 -0.933 4.238) 4.382 13.483 ( -1.076 -2.424 -11.109) 11.421 13.876 ( 3.659 -1.851 3.454) 5.362 13.987 ( 3.363 -3.179 -7.628) 8.922 14.668 ( -8.756 2.656 10.965) 14.281 14.728 ( -7.488 4.153 5.003) 9.917 15.109 ( -13.424 3.697 5.498) 14.970 15.204 ( -15.582 1.252 -4.505) 16.268 15.715 ( 5.326 5.734 12.302) 14.580 15.886 ( 3.361 4.866 -4.761) 7.592 16.151 ( 4.656 4.881 5.291) 8.573 16.299 ( 7.879 6.679 -9.931) 14.329 16.550 ( -2.483 -0.809 8.392) 8.788 16.728 ( -0.303 1.772 -9.846) 10.009 17.048 ( -0.361 -7.570 1.498) 7.725 17.169 ( -1.775 -6.790 -9.868) 12.109 17.504 ( 2.814 -0.836 1.856) 3.473 17.513 ( 3.551 -0.732 0.907) 3.738 17.807 ( 0.764 -4.649 6.422) 7.965 17.888 ( -0.641 -6.147 -1.379) 6.333 18.013 ( 1.712 -5.647 1.056) 5.995 18.037 ( 2.515 -6.456 -1.705) 7.136 18.197 ( -1.411 -5.260 3.232) 6.333 18.259 ( -1.423 -6.704 -2.947) 7.460 ======================= Grid point 207 (78/81) ======================= q-point: ( 0.40 0.41 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.248 ( 4.346 8.867 0.707) 9.900 4.279 ( 2.516 8.263 -2.481) 8.987 4.479 ( -2.616 6.837 0.843) 7.369 4.503 ( -4.523 7.643 -1.241) 8.967 4.565 ( 2.602 -0.277 1.498) 3.015 4.588 ( 0.632 -1.309 -0.472) 1.528 4.717 ( -1.792 1.922 -1.026) 2.821 4.751 ( -4.660 -0.296 -4.157) 6.251 5.292 ( 0.270 13.507 3.223) 13.889 5.299 ( -0.677 11.909 2.677) 12.225 5.518 ( 3.576 7.303 0.658) 8.158 5.556 ( 0.409 6.820 -2.832) 7.396 5.798 ( 3.938 0.534 4.823) 6.249 5.847 ( 3.666 0.672 0.992) 3.857 5.951 ( -2.100 1.814 1.544) 3.176 6.003 ( -3.351 -0.513 -2.071) 3.973 6.439 ( 2.817 -3.349 7.507) 8.690 6.541 ( -6.306 -5.771 9.638) 12.882 6.653 ( 5.676 -10.928 -12.567) 17.594 6.778 ( -5.183 -11.696 -13.350) 18.490 6.998 ( 5.075 0.897 3.458) 6.206 7.067 ( 0.370 -1.583 -2.372) 2.876 7.367 ( 0.658 -9.713 2.137) 9.967 7.447 ( -4.294 -12.546 -5.091) 14.205 8.032 ( 3.482 9.431 2.564) 10.375 8.051 ( 2.227 9.615 0.616) 9.889 8.225 ( 1.366 5.966 3.087) 6.854 8.247 ( -0.540 5.430 0.674) 5.498 8.562 ( 6.622 8.081 1.318) 10.530 8.616 ( 6.647 8.896 -3.935) 11.781 8.697 ( -5.040 9.582 2.596) 11.134 8.744 ( -4.651 9.736 -1.910) 10.958 9.087 ( 1.357 12.005 2.760) 12.393 9.114 ( 0.118 11.201 0.095) 11.202 9.238 ( -5.947 8.886 3.101) 11.133 9.247 ( -5.527 9.229 2.367) 11.015 9.667 ( 1.854 3.409 1.269) 4.083 9.679 ( 0.656 1.584 0.448) 1.772 9.803 ( 3.274 3.204 -1.226) 4.742 9.829 ( 1.248 2.355 -3.438) 4.350 10.027 ( -0.716 8.640 0.264) 8.674 10.036 ( -1.553 10.195 -0.821) 10.345 10.198 ( 0.903 10.089 -0.543) 10.144 10.209 ( 0.172 9.998 -1.659) 10.136 10.715 ( 2.332 6.483 1.782) 7.116 10.751 ( 0.579 4.022 -1.816) 4.451 10.832 ( -6.794 2.107 0.288) 7.119 10.846 ( -7.072 -0.172 -1.127) 7.163 11.254 ( 10.009 2.253 10.456) 14.648 11.404 ( 5.399 2.099 -1.892) 6.094 11.484 ( -5.050 -1.749 8.645) 10.163 11.593 ( -6.538 -2.695 1.112) 7.159 12.084 ( 3.714 1.944 6.406) 7.656 12.172 ( -2.996 7.076 0.268) 7.688 12.312 ( 1.418 -1.686 -11.026) 11.244 12.346 ( 0.128 -1.048 -10.150) 10.205 12.824 ( 8.299 -1.994 2.241) 8.824 12.926 ( 2.203 -1.035 -5.453) 5.972 13.099 ( 8.871 2.360 0.267) 9.183 13.143 ( 5.854 7.973 -4.524) 10.877 13.265 ( -4.445 3.102 1.103) 5.532 13.371 ( -9.803 -1.956 -8.665) 13.229 13.953 ( 3.131 -9.696 1.939) 10.372 14.036 ( -2.329 -11.255 -6.232) 13.074 14.562 ( 2.969 5.787 8.777) 10.925 14.628 ( 2.242 4.666 2.219) 5.632 14.794 ( -13.621 4.828 5.570) 15.487 14.859 ( -14.408 2.950 -1.064) 14.745 15.824 ( 4.401 8.007 6.809) 11.395 15.897 ( -1.877 8.260 -0.565) 8.490 16.295 ( 7.389 -0.140 9.106) 11.727 16.434 ( -2.916 -4.486 2.810) 6.043 16.516 ( 5.872 9.101 -3.735) 11.457 16.667 ( -5.429 5.039 -10.834) 13.124 17.065 ( 1.964 -10.187 -2.613) 10.698 17.119 ( -2.597 -9.129 -7.462) 12.074 17.572 ( 2.682 1.015 2.222) 3.628 17.585 ( 1.908 0.937 0.883) 2.302 17.821 ( 0.819 -4.642 4.570) 6.565 17.856 ( -2.021 -5.073 1.043) 5.560 18.069 ( 3.174 -5.535 1.802) 6.630 18.110 ( 2.428 -5.739 -1.716) 6.463 18.156 ( -1.158 -6.639 1.715) 6.954 18.209 ( -3.076 -7.050 -2.956) 8.240 ======================= Grid point 210 (79/81) ======================= q-point: ( 0.00 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.277 ( 0.000 5.083 0.856) 5.154 4.301 ( 0.000 2.907 -1.426) 3.238 4.524 ( 0.000 2.085 1.486) 2.560 4.558 ( 0.000 -0.978 -1.507) 1.797 4.704 ( 0.000 4.985 1.849) 5.317 4.774 ( 0.000 0.410 -4.766) 4.783 4.867 ( 0.000 -1.640 0.443) 1.699 4.878 ( 0.000 -0.587 -0.616) 0.850 5.421 ( 0.000 9.506 3.459) 10.116 5.448 ( 0.000 7.005 0.063) 7.005 5.517 ( 0.000 3.685 0.941) 3.804 5.530 ( 0.000 -0.156 0.476) 0.501 5.625 ( 0.000 -3.337 5.612) 6.529 5.671 ( 0.000 -6.077 -0.076) 6.078 5.950 ( 0.000 -0.293 0.187) 0.347 5.992 ( 0.000 -3.389 -4.883) 5.944 6.490 ( 0.000 2.616 -1.063) 2.824 6.509 ( 0.000 7.887 -2.661) 8.324 6.611 ( 0.000 -9.321 4.268) 10.252 6.709 ( 0.000 -11.539 -5.496) 12.781 6.967 ( 0.000 5.995 -1.504) 6.181 6.973 ( 0.000 5.696 -1.838) 5.986 7.194 ( 0.000 -8.435 0.955) 8.489 7.211 ( 0.000 -9.818 -0.401) 9.826 8.035 ( 0.000 2.286 3.722) 4.368 8.040 ( 0.000 1.603 3.225) 3.602 8.314 ( 0.000 4.379 3.971) 5.911 8.323 ( 0.000 3.163 2.738) 4.184 8.522 ( 0.000 4.753 -6.266) 7.865 8.545 ( 0.000 2.661 -8.199) 8.620 8.953 ( 0.000 4.099 1.573) 4.391 8.967 ( 0.000 2.724 0.207) 2.732 9.354 ( 0.000 8.615 3.955) 9.480 9.364 ( 0.000 7.211 2.831) 7.747 9.528 ( 0.000 -0.650 4.142) 4.193 9.538 ( 0.000 -1.287 2.461) 2.777 9.663 ( 0.000 1.061 6.547) 6.632 9.696 ( 0.000 -0.870 -0.161) 0.884 9.741 ( 0.000 4.915 -3.705) 6.155 9.781 ( 0.000 -0.501 -4.408) 4.436 10.130 ( 0.000 8.944 -0.378) 8.952 10.172 ( 0.000 6.031 -3.773) 7.114 10.267 ( 0.000 -3.724 -0.614) 3.774 10.281 ( 0.000 -3.376 -1.917) 3.882 10.875 ( 0.000 5.204 3.154) 6.085 10.906 ( 0.000 2.996 0.557) 3.047 10.965 ( 0.000 3.104 5.555) 6.363 11.039 ( 0.000 -4.559 -1.387) 4.766 11.139 ( 0.000 2.669 1.533) 3.078 11.173 ( 0.000 1.362 -1.896) 2.334 11.786 ( 0.000 -0.761 5.834) 5.884 11.795 ( 0.000 -1.097 5.603) 5.709 11.889 ( 0.000 -0.334 2.311) 2.335 11.898 ( 0.000 -0.814 3.149) 3.252 12.353 ( 0.000 5.020 -0.890) 5.098 12.462 ( 0.000 -5.546 -10.804) 12.144 12.538 ( 0.000 4.695 -5.720) 7.400 12.577 ( 0.000 0.933 -10.030) 10.074 13.142 ( 0.000 1.412 2.902) 3.228 13.165 ( 0.000 -0.611 5.917) 5.948 13.315 ( 0.000 2.691 -9.717) 10.083 13.400 ( 0.000 -5.088 -13.296) 14.237 13.836 ( 0.000 0.680 2.086) 2.194 13.888 ( 0.000 -4.470 -3.111) 5.446 14.857 ( 0.000 4.295 12.392) 13.116 14.896 ( 0.000 1.078 8.499) 8.567 15.350 ( 0.000 2.523 0.139) 2.527 15.396 ( 0.000 -2.194 -4.695) 5.182 15.734 ( 0.000 5.902 12.533) 13.853 15.819 ( 0.000 -1.908 4.785) 5.151 16.222 ( 0.000 4.331 -3.214) 5.393 16.282 ( 0.000 -0.689 -9.058) 9.085 16.581 ( 0.000 3.125 4.949) 5.853 16.670 ( 0.000 -4.764 -3.977) 6.206 17.019 ( 0.000 1.591 -3.512) 3.856 17.086 ( 0.000 -4.623 -9.385) 10.462 17.452 ( 0.000 -0.085 2.868) 2.870 17.455 ( 0.000 -0.245 2.817) 2.828 17.733 ( 0.000 -0.825 3.116) 3.223 17.770 ( 0.000 -4.450 -0.259) 4.458 17.923 ( 0.000 -1.740 0.892) 1.955 17.929 ( 0.000 -2.372 0.282) 2.389 18.156 ( 0.000 -0.806 0.592) 1.000 18.178 ( 0.000 -3.080 -1.571) 3.458 ======================= Grid point 211 (80/81) ======================= q-point: ( 0.20 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( 3.038 5.097 0.742) 5.980 4.337 ( 2.991 3.079 -1.525) 4.555 4.523 ( -0.108 1.085 1.519) 1.870 4.554 ( -0.528 -1.661 -0.994) 2.006 4.668 ( -2.623 5.446 0.801) 6.097 4.725 ( -4.035 3.102 -4.338) 6.688 4.785 ( -4.914 -2.153 0.774) 5.421 4.821 ( -4.668 -2.863 -2.647) 6.082 5.472 ( 1.693 8.292 5.135) 9.899 5.512 ( 3.848 8.806 0.163) 9.611 5.547 ( 2.337 4.045 4.214) 6.291 5.577 ( 4.115 1.257 0.939) 4.404 5.659 ( 4.235 -2.479 5.947) 7.710 5.747 ( 5.942 -6.002 -1.856) 8.647 5.943 ( -0.294 0.344 0.502) 0.676 5.998 ( 0.361 -3.512 -4.613) 5.809 6.461 ( -2.259 3.063 -2.062) 4.328 6.478 ( -1.787 2.837 -3.502) 4.848 6.544 ( -4.287 -6.075 3.734) 8.320 6.657 ( -3.875 -10.835 -7.194) 13.571 7.005 ( 2.772 7.340 0.018) 7.846 7.030 ( 2.817 4.174 -2.482) 5.614 7.192 ( -0.608 -8.963 1.592) 9.124 7.219 ( 0.629 -11.243 -1.019) 11.306 8.066 ( 3.108 2.737 2.714) 4.952 8.074 ( 3.149 1.758 1.994) 4.121 8.330 ( 0.837 4.034 3.725) 5.554 8.339 ( 0.703 2.877 2.760) 4.049 8.566 ( 4.045 4.792 -3.876) 7.372 8.594 ( 4.381 2.252 -6.351) 8.038 8.925 ( -2.338 4.377 2.011) 5.354 8.943 ( -2.075 2.706 0.305) 3.423 9.314 ( -3.157 7.178 3.137) 8.446 9.322 ( -3.450 6.038 2.399) 7.356 9.494 ( -3.302 2.132 3.849) 5.501 9.504 ( -4.025 1.760 2.980) 5.308 9.668 ( 1.231 1.590 3.779) 4.281 9.716 ( 1.113 0.596 -0.598) 1.397 9.744 ( 1.602 0.642 -2.406) 2.961 9.778 ( 0.412 -1.169 -3.509) 3.721 10.162 ( 2.000 7.504 -0.684) 7.796 10.189 ( 0.795 5.753 -2.887) 6.486 10.264 ( 0.128 -2.219 -0.951) 2.418 10.277 ( -0.061 -2.289 -2.210) 3.183 10.833 ( -3.045 2.932 2.069) 4.707 10.851 ( -4.048 0.573 0.439) 4.112 10.958 ( -2.537 1.359 1.687) 3.337 10.980 ( -4.525 -1.262 -0.678) 4.746 11.172 ( 4.772 6.278 5.947) 9.877 11.251 ( 5.852 -0.709 -1.359) 6.050 11.691 ( -6.871 2.851 8.950) 11.638 11.723 ( -6.138 -0.343 6.187) 8.722 11.970 ( 6.327 0.205 2.278) 6.727 12.027 ( 9.585 -5.040 -3.415) 11.355 12.368 ( 1.282 3.448 -5.173) 6.347 12.406 ( -2.712 0.980 -8.455) 8.933 12.645 ( 5.897 0.795 -4.960) 7.747 12.668 ( 8.663 -0.632 -6.157) 10.647 13.150 ( 1.278 4.065 1.675) 4.579 13.191 ( -0.454 0.176 -0.181) 0.520 13.313 ( 1.633 1.990 -4.333) 5.040 13.390 ( -1.332 -5.633 -9.180) 10.853 13.834 ( -0.702 -0.811 0.720) 1.292 13.881 ( -0.601 -5.350 -3.921) 6.660 14.750 ( -7.767 4.201 10.459) 13.688 14.788 ( -7.987 0.867 6.722) 10.475 15.166 ( -13.219 2.261 1.991) 13.558 15.200 ( -14.023 -1.169 -1.726) 14.177 15.851 ( 7.581 7.161 11.231) 15.326 15.943 ( 7.969 -0.718 3.879) 8.892 16.219 ( -0.360 3.608 0.355) 3.644 16.312 ( 1.585 -4.337 -6.889) 8.294 16.597 ( 1.894 5.273 3.153) 6.429 16.704 ( 2.886 -4.450 -6.369) 8.288 16.974 ( -3.800 0.933 -3.792) 5.449 17.045 ( -3.466 -5.381 -9.694) 11.616 17.509 ( 4.612 0.845 3.059) 5.598 17.517 ( 4.954 0.301 2.523) 5.567 17.746 ( 0.669 -0.973 3.708) 3.892 17.781 ( 0.376 -4.211 0.646) 4.277 17.939 ( 1.655 -1.715 0.464) 2.428 17.948 ( 2.015 -2.553 -0.564) 3.301 18.136 ( -1.769 -0.890 0.572) 2.061 18.160 ( -1.698 -3.238 -1.679) 4.024 ======================= Grid point 212 (81/81) ======================= q-point: ( 0.40 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.391 ( 3.416 5.472 0.355) 6.460 4.410 ( 2.637 4.547 -1.460) 5.455 4.510 ( -1.082 -1.792 1.346) 2.489 4.528 ( -1.810 -2.862 -0.288) 3.398 4.629 ( -0.480 4.744 -1.265) 4.933 4.641 ( -2.195 5.370 -2.193) 6.201 4.706 ( -1.943 -2.631 -1.334) 3.532 4.723 ( -3.397 -2.671 -2.774) 5.135 5.499 ( 1.373 8.511 7.188) 11.225 5.532 ( -1.215 9.325 5.341) 10.815 5.602 ( 2.115 -0.577 3.323) 3.981 5.628 ( 0.087 -0.349 1.357) 1.404 5.813 ( 7.576 3.102 3.408) 8.868 5.887 ( 4.508 0.527 -3.025) 5.455 5.936 ( -0.426 -0.955 1.888) 2.158 5.987 ( -1.898 -2.216 -2.443) 3.806 6.422 ( -0.112 1.774 -0.660) 1.896 6.459 ( -2.872 -0.700 0.680) 3.034 6.484 ( 1.943 -5.705 -5.839) 8.391 6.562 ( -4.432 -9.292 -8.068) 13.080 7.052 ( 1.447 5.198 0.161) 5.398 7.067 ( 0.444 2.507 -1.068) 2.761 7.177 ( 0.196 -8.321 0.230) 8.327 7.210 ( -1.705 -10.573 -2.682) 11.040 8.170 ( 5.706 3.894 2.183) 7.244 8.177 ( 5.580 3.036 1.218) 6.468 8.306 ( -3.438 2.148 2.752) 4.900 8.312 ( -3.444 1.400 1.826) 4.142 8.695 ( 7.287 4.776 0.415) 8.722 8.726 ( 7.124 2.021 -2.525) 7.824 8.846 ( -5.394 4.849 2.578) 7.698 8.871 ( -5.075 2.594 0.144) 5.701 9.270 ( 0.991 5.689 1.861) 6.067 9.280 ( 1.270 4.759 0.896) 5.007 9.373 ( -6.599 4.320 2.834) 8.381 9.381 ( -6.123 3.695 2.037) 7.436 9.716 ( 2.285 3.048 1.068) 3.956 9.737 ( 0.482 3.323 -1.103) 3.534 9.797 ( 2.007 -3.518 -0.536) 4.086 9.804 ( 1.195 -2.615 -1.156) 3.099 10.185 ( 0.257 6.609 -1.259) 6.732 10.191 ( -0.276 6.121 -1.874) 6.407 10.278 ( 0.662 -1.489 -1.388) 2.141 10.283 ( 0.188 -1.895 -1.952) 2.727 10.783 ( -0.309 1.753 0.306) 1.806 10.792 ( -0.387 1.073 -0.587) 1.282 10.867 ( -4.519 1.064 -0.008) 4.642 10.873 ( -4.240 0.793 -0.512) 4.344 11.327 ( 8.323 4.440 8.499) 12.698 11.397 ( 7.183 -2.320 2.159) 7.851 11.516 ( -8.601 3.268 9.046) 12.903 11.562 ( -7.764 -1.369 4.926) 9.296 12.146 ( 8.807 4.416 -0.353) 9.858 12.234 ( 8.241 -3.429 -7.799) 11.853 12.317 ( -5.781 4.561 -4.745) 8.760 12.367 ( -3.069 0.131 -8.342) 8.889 12.816 ( 9.520 2.554 0.048) 9.857 12.894 ( 9.888 -2.629 -7.098) 12.453 13.064 ( -6.554 -0.863 2.490) 7.064 13.156 ( -6.519 -6.931 -6.807) 11.699 13.404 ( 6.948 8.908 -0.193) 11.299 13.436 ( 5.985 7.030 -3.736) 9.960 13.762 ( -5.311 -7.648 -0.154) 9.312 13.805 ( -7.193 -10.534 -4.115) 13.402 14.664 ( 2.779 3.782 6.612) 8.109 14.691 ( 2.217 1.190 3.939) 4.674 14.863 ( -12.925 2.300 3.818) 13.672 14.886 ( -13.101 -0.023 1.367) 13.172 16.005 ( 5.913 9.671 7.945) 13.842 16.073 ( 1.568 8.056 1.735) 8.389 16.220 ( 2.033 -5.635 8.340) 10.269 16.299 ( -3.024 -8.652 2.384) 9.470 16.682 ( 5.433 7.766 -4.263) 10.392 16.767 ( 0.594 3.284 -10.771) 11.276 16.888 ( -1.758 -5.722 -3.726) 7.051 16.950 ( -4.773 -7.579 -9.162) 12.812 17.618 ( 4.303 2.901 3.183) 6.088 17.630 ( 4.019 2.501 2.097) 5.177 17.740 ( -0.933 -2.932 4.153) 5.169 17.762 ( -2.094 -4.232 2.193) 5.206 17.999 ( 3.569 -1.343 0.205) 3.819 18.018 ( 3.972 -3.167 -1.699) 5.356 18.079 ( -3.277 -1.167 0.440) 3.506 18.104 ( -3.371 -3.482 -1.853) 5.189 =================== 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 3/35700 10.0 2008.873 4122.327 4408.330 0.000 0.000 0.000 3/35700 20.0 1925.174 2387.963 2605.598 0.000 0.000 0.000 3/35700 30.0 793.170 931.445 892.631 0.000 0.000 0.000 3/35700 40.0 360.450 437.765 373.095 0.000 0.000 0.000 3/35700 50.0 188.998 243.753 190.595 0.000 0.000 0.000 3/35700 60.0 112.678 154.358 112.722 0.000 0.000 0.000 3/35700 70.0 74.267 107.179 74.094 0.000 0.000 0.000 3/35700 80.0 52.803 79.531 52.614 0.000 0.000 0.000 3/35700 90.0 39.759 61.995 39.582 0.000 0.000 0.000 3/35700 100.0 31.286 50.178 31.120 0.000 0.000 0.000 3/35700 110.0 25.482 41.822 25.324 0.000 0.000 0.000 3/35700 120.0 21.331 35.681 21.178 0.000 0.000 0.000 3/35700 130.0 18.254 31.020 18.106 0.000 0.000 0.000 3/35700 140.0 15.904 27.388 15.760 0.000 0.000 0.000 3/35700 150.0 14.064 24.492 13.925 0.000 0.000 0.000 3/35700 160.0 12.592 22.139 12.456 0.000 0.000 0.000 3/35700 170.0 11.393 20.193 11.261 0.000 0.000 0.000 3/35700 180.0 10.399 18.562 10.271 0.000 0.000 0.000 3/35700 190.0 9.565 17.176 9.440 0.000 0.000 0.000 3/35700 200.0 8.855 15.986 8.733 0.000 0.000 0.000 3/35700 210.0 8.245 14.953 8.126 0.000 0.000 0.000 3/35700 220.0 7.715 14.048 7.599 0.000 0.000 0.000 3/35700 230.0 7.251 13.250 7.138 0.000 0.000 0.000 3/35700 240.0 6.841 12.540 6.731 0.000 0.000 0.000 3/35700 250.0 6.476 11.906 6.369 0.000 0.000 0.000 3/35700 260.0 6.150 11.334 6.046 0.000 0.000 0.000 3/35700 270.0 5.856 10.818 5.754 0.000 0.000 0.000 3/35700 280.0 5.590 10.348 5.491 0.000 0.000 0.000 3/35700 290.0 5.348 9.918 5.252 0.000 0.000 0.000 3/35700 300.0 5.127 9.525 5.033 0.000 0.000 0.000 3/35700 310.0 4.925 9.163 4.833 0.000 0.000 0.000 3/35700 320.0 4.738 8.828 4.649 0.000 0.000 0.000 3/35700 330.0 4.566 8.518 4.478 0.000 0.000 0.000 3/35700 340.0 4.406 8.230 4.321 0.000 0.000 0.000 3/35700 350.0 4.258 7.961 4.174 0.000 0.000 0.000 3/35700 360.0 4.120 7.711 4.038 0.000 0.000 0.000 3/35700 370.0 3.990 7.476 3.910 0.000 0.000 0.000 3/35700 380.0 3.869 7.255 3.791 0.000 0.000 0.000 3/35700 390.0 3.756 7.048 3.679 0.000 0.000 0.000 3/35700 400.0 3.649 6.852 3.574 0.000 0.000 0.000 3/35700 410.0 3.548 6.668 3.475 0.000 0.000 0.000 3/35700 420.0 3.453 6.493 3.381 0.000 0.000 0.000 3/35700 430.0 3.363 6.328 3.293 0.000 0.000 0.000 3/35700 440.0 3.278 6.171 3.209 0.000 0.000 0.000 3/35700 450.0 3.197 6.022 3.129 0.000 0.000 0.000 3/35700 460.0 3.120 5.881 3.054 0.000 0.000 0.000 3/35700 470.0 3.047 5.746 2.982 0.000 0.000 0.000 3/35700 480.0 2.978 5.617 2.914 0.000 0.000 0.000 3/35700 490.0 2.911 5.494 2.848 0.000 0.000 0.000 3/35700 500.0 2.848 5.377 2.786 0.000 0.000 0.000 3/35700 510.0 2.787 5.264 2.727 0.000 0.000 0.000 3/35700 520.0 2.729 5.156 2.670 0.000 0.000 0.000 3/35700 530.0 2.674 5.053 2.615 0.000 0.000 0.000 3/35700 540.0 2.620 4.954 2.563 0.000 0.000 0.000 3/35700 550.0 2.569 4.859 2.513 0.000 0.000 0.000 3/35700 560.0 2.520 4.767 2.464 0.000 0.000 0.000 3/35700 570.0 2.473 4.679 2.418 0.000 0.000 0.000 3/35700 580.0 2.428 4.594 2.374 0.000 0.000 0.000 3/35700 590.0 2.384 4.513 2.331 0.000 0.000 0.000 3/35700 600.0 2.342 4.434 2.289 0.000 0.000 0.000 3/35700 610.0 2.301 4.358 2.249 0.000 0.000 0.000 3/35700 620.0 2.262 4.284 2.211 0.000 0.000 0.000 3/35700 630.0 2.224 4.213 2.174 0.000 0.000 0.000 3/35700 640.0 2.187 4.145 2.138 0.000 0.000 0.000 3/35700 650.0 2.152 4.079 2.103 0.000 0.000 0.000 3/35700 660.0 2.117 4.014 2.070 0.000 0.000 0.000 3/35700 670.0 2.084 3.952 2.037 0.000 0.000 0.000 3/35700 680.0 2.052 3.892 2.006 0.000 0.000 0.000 3/35700 690.0 2.021 3.833 1.975 0.000 0.000 0.000 3/35700 700.0 1.991 3.777 1.946 0.000 0.000 0.000 3/35700 710.0 1.962 3.722 1.917 0.000 0.000 0.000 3/35700 720.0 1.933 3.669 1.889 0.000 0.000 0.000 3/35700 730.0 1.906 3.617 1.862 0.000 0.000 0.000 3/35700 740.0 1.879 3.566 1.836 0.000 0.000 0.000 3/35700 750.0 1.853 3.517 1.810 0.000 0.000 0.000 3/35700 760.0 1.828 3.470 1.786 0.000 0.000 0.000 3/35700 770.0 1.803 3.423 1.761 0.000 0.000 0.000 3/35700 780.0 1.779 3.378 1.738 0.000 0.000 0.000 3/35700 790.0 1.756 3.334 1.715 0.000 0.000 0.000 3/35700 800.0 1.733 3.292 1.693 0.000 0.000 0.000 3/35700 810.0 1.711 3.250 1.671 0.000 0.000 0.000 3/35700 820.0 1.689 3.209 1.650 0.000 0.000 0.000 3/35700 830.0 1.668 3.170 1.630 0.000 0.000 0.000 3/35700 840.0 1.648 3.131 1.610 0.000 0.000 0.000 3/35700 850.0 1.628 3.093 1.590 0.000 0.000 0.000 3/35700 860.0 1.608 3.057 1.571 0.000 0.000 0.000 3/35700 870.0 1.589 3.021 1.552 0.000 0.000 0.000 3/35700 880.0 1.571 2.986 1.534 0.000 0.000 0.000 3/35700 890.0 1.553 2.952 1.517 0.000 0.000 0.000 3/35700 900.0 1.535 2.918 1.499 0.000 0.000 0.000 3/35700 910.0 1.518 2.885 1.482 0.000 0.000 0.000 3/35700 920.0 1.501 2.853 1.466 0.000 0.000 0.000 3/35700 930.0 1.484 2.822 1.450 0.000 0.000 0.000 3/35700 940.0 1.468 2.792 1.434 0.000 0.000 0.000 3/35700 950.0 1.452 2.762 1.418 0.000 0.000 0.000 3/35700 960.0 1.437 2.732 1.403 0.000 0.000 0.000 3/35700 970.0 1.422 2.704 1.388 0.000 0.000 0.000 3/35700 980.0 1.407 2.676 1.374 0.000 0.000 0.000 3/35700 990.0 1.392 2.648 1.360 0.000 0.000 0.000 3/35700 1000.0 1.378 2.621 1.346 0.000 0.000 0.000 3/35700 Thermal conductivity related properties were written into "kappa-m5175.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:41:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|