----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:16:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] 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 10.514961030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.065176590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.852142940000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 *5 O 0.66252693576106 0.54038447192320 0.27050916062884 15.999 6 O 0.33747306423894 0.45961552807680 0.72949083937116 15.999 7 O 0.16252693576106 0.54038447192320 0.22949083937116 15.999 8 O 0.66252693576106 0.95961552807680 0.27050916062884 15.999 9 O 0.83747306423894 0.04038447192320 0.77050916062884 15.999 *10 O 0.90405937548522 0.25000000000000 0.25743366891263 15.999 11 O 0.83747306423894 0.45961552807680 0.77050916062884 15.999 12 O 0.33747306423894 0.04038447192320 0.72949083937116 15.999 13 O 0.09594062451478 0.75000000000000 0.74256633108737 15.999 14 O 0.40405937548523 0.25000000000000 0.24256633108737 15.999 *15 O 0.94507178983869 0.75000000000000 0.20884816997665 15.999 16 O 0.59594062451478 0.75000000000000 0.75743366891263 15.999 17 O 0.44507178983869 0.75000000000000 0.29115183002335 15.999 18 O 0.55492821016131 0.25000000000000 0.70884816997665 15.999 19 O 0.05492821016131 0.25000000000000 0.79115183002335 15.999 20 O 0.16252693576106 0.95961552807680 0.22949083937116 15.999 *21 Si 0.08763233609910 0.75000000000000 0.07561103798016 28.085 22 Si 0.58763233609910 0.75000000000000 0.42438896201984 28.085 23 Si 0.91236766390090 0.25000000000000 0.92438896201984 28.085 24 Si 0.41236766390090 0.25000000000000 0.57561103798016 28.085 *25 In 0.27493402277510 0.75000000000000 0.52125213741643 114.818 26 In 0.77493402277510 0.75000000000000 0.97874786258357 114.818 27 In 0.72506597722490 0.25000000000000 0.47874786258357 114.818 28 In 0.22506597722490 0.25000000000000 0.02125213741643 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.514961030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.065176590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.852142940000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 2 3 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 3 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 4 *5 O 0.66252693576106 0.54038447192320 0.27050916062884 15.999 > 5 6 O 0.33747306423894 0.45961552807680 0.72949083937116 15.999 > 6 7 O 0.16252693576106 0.54038447192320 0.22949083937116 15.999 > 7 8 O 0.66252693576106 0.95961552807680 0.27050916062884 15.999 > 8 9 O 0.83747306423894 0.04038447192320 0.77050916062884 15.999 > 9 *10 O 0.90405937548522 0.25000000000000 0.25743366891263 15.999 > 10 11 O 0.83747306423894 0.45961552807680 0.77050916062884 15.999 > 11 12 O 0.33747306423894 0.04038447192320 0.72949083937116 15.999 > 12 13 O 0.09594062451478 0.75000000000000 0.74256633108737 15.999 > 13 14 O 0.40405937548523 0.25000000000000 0.24256633108737 15.999 > 14 *15 O 0.94507178983869 0.75000000000000 0.20884816997665 15.999 > 15 16 O 0.59594062451478 0.75000000000000 0.75743366891263 15.999 > 16 17 O 0.44507178983869 0.75000000000000 0.29115183002335 15.999 > 17 18 O 0.55492821016131 0.25000000000000 0.70884816997665 15.999 > 18 19 O 0.05492821016131 0.25000000000000 0.79115183002335 15.999 > 19 20 O 0.16252693576106 0.95961552807680 0.22949083937116 15.999 > 20 *21 Si 0.08763233609910 0.75000000000000 0.07561103798016 28.085 > 21 22 Si 0.58763233609910 0.75000000000000 0.42438896201984 28.085 > 22 23 Si 0.91236766390090 0.25000000000000 0.92438896201984 28.085 > 23 24 Si 0.41236766390090 0.25000000000000 0.57561103798016 28.085 > 24 *25 In 0.27493402277510 0.75000000000000 0.52125213741643 114.818 > 25 26 In 0.77493402277510 0.75000000000000 0.97874786258357 114.818 > 26 27 In 0.72506597722490 0.25000000000000 0.47874786258357 114.818 > 27 28 In 0.22506597722490 0.25000000000000 0.02125213741643 114.818 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.514961030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.130353180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.704285880000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 2 6 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 2 7 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 2 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 9 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 3 10 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 3 11 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 3 12 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 3 13 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 4 14 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 4 15 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 4 16 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 4 *17 O 0.66252693576106 0.27019223596160 0.13525458031442 15.999 > 5 18 O 0.66252693576106 0.77019223596160 0.13525458031442 15.999 > 5 19 O 0.66252693576106 0.27019223596160 0.63525458031442 15.999 > 5 20 O 0.66252693576106 0.77019223596160 0.63525458031442 15.999 > 5 21 O 0.33747306423894 0.22980776403840 0.36474541968558 15.999 > 6 22 O 0.33747306423894 0.72980776403840 0.36474541968558 15.999 > 6 23 O 0.33747306423894 0.22980776403840 0.86474541968558 15.999 > 6 24 O 0.33747306423894 0.72980776403840 0.86474541968558 15.999 > 6 25 O 0.16252693576106 0.27019223596160 0.11474541968558 15.999 > 7 26 O 0.16252693576106 0.77019223596160 0.11474541968558 15.999 > 7 27 O 0.16252693576106 0.27019223596160 0.61474541968558 15.999 > 7 28 O 0.16252693576106 0.77019223596160 0.61474541968558 15.999 > 7 29 O 0.66252693576106 0.47980776403840 0.13525458031442 15.999 > 8 30 O 0.66252693576106 0.97980776403840 0.13525458031442 15.999 > 8 31 O 0.66252693576106 0.47980776403840 0.63525458031442 15.999 > 8 32 O 0.66252693576106 0.97980776403840 0.63525458031442 15.999 > 8 33 O 0.83747306423894 0.02019223596160 0.38525458031442 15.999 > 9 34 O 0.83747306423894 0.52019223596160 0.38525458031442 15.999 > 9 35 O 0.83747306423894 0.02019223596160 0.88525458031442 15.999 > 9 36 O 0.83747306423894 0.52019223596160 0.88525458031442 15.999 > 9 *37 O 0.90405937548522 0.12500000000000 0.12871683445631 15.999 > 10 38 O 0.90405937548522 0.62500000000000 0.12871683445631 15.999 > 10 39 O 0.90405937548522 0.12500000000000 0.62871683445631 15.999 > 10 40 O 0.90405937548522 0.62500000000000 0.62871683445631 15.999 > 10 41 O 0.83747306423894 0.22980776403840 0.38525458031442 15.999 > 11 42 O 0.83747306423894 0.72980776403840 0.38525458031442 15.999 > 11 43 O 0.83747306423894 0.22980776403840 0.88525458031442 15.999 > 11 44 O 0.83747306423894 0.72980776403840 0.88525458031442 15.999 > 11 45 O 0.33747306423894 0.02019223596160 0.36474541968558 15.999 > 12 46 O 0.33747306423894 0.52019223596160 0.36474541968558 15.999 > 12 47 O 0.33747306423894 0.02019223596160 0.86474541968558 15.999 > 12 48 O 0.33747306423894 0.52019223596160 0.86474541968558 15.999 > 12 49 O 0.09594062451478 0.37500000000000 0.37128316554369 15.999 > 13 50 O 0.09594062451478 0.87500000000000 0.37128316554369 15.999 > 13 51 O 0.09594062451478 0.37500000000000 0.87128316554369 15.999 > 13 52 O 0.09594062451478 0.87500000000000 0.87128316554369 15.999 > 13 53 O 0.40405937548523 0.12500000000000 0.12128316554368 15.999 > 14 54 O 0.40405937548523 0.62500000000000 0.12128316554368 15.999 > 14 55 O 0.40405937548523 0.12500000000000 0.62128316554369 15.999 > 14 56 O 0.40405937548523 0.62500000000000 0.62128316554369 15.999 > 14 *57 O 0.94507178983869 0.37500000000000 0.10442408498833 15.999 > 15 58 O 0.94507178983869 0.87500000000000 0.10442408498833 15.999 > 15 59 O 0.94507178983869 0.37500000000000 0.60442408498833 15.999 > 15 60 O 0.94507178983869 0.87500000000000 0.60442408498833 15.999 > 15 61 O 0.59594062451478 0.37500000000000 0.37871683445631 15.999 > 16 62 O 0.59594062451478 0.87500000000000 0.37871683445631 15.999 > 16 63 O 0.59594062451478 0.37500000000000 0.87871683445631 15.999 > 16 64 O 0.59594062451478 0.87500000000000 0.87871683445631 15.999 > 16 65 O 0.44507178983869 0.37500000000000 0.14557591501167 15.999 > 17 66 O 0.44507178983869 0.87500000000000 0.14557591501167 15.999 > 17 67 O 0.44507178983869 0.37500000000000 0.64557591501167 15.999 > 17 68 O 0.44507178983869 0.87500000000000 0.64557591501167 15.999 > 17 69 O 0.55492821016131 0.12500000000000 0.35442408498833 15.999 > 18 70 O 0.55492821016131 0.62500000000000 0.35442408498833 15.999 > 18 71 O 0.55492821016131 0.12500000000000 0.85442408498833 15.999 > 18 72 O 0.55492821016131 0.62500000000000 0.85442408498833 15.999 > 18 73 O 0.05492821016131 0.12500000000000 0.39557591501167 15.999 > 19 74 O 0.05492821016131 0.62500000000000 0.39557591501167 15.999 > 19 75 O 0.05492821016131 0.12500000000000 0.89557591501167 15.999 > 19 76 O 0.05492821016131 0.62500000000000 0.89557591501167 15.999 > 19 77 O 0.16252693576106 0.47980776403840 0.11474541968558 15.999 > 20 78 O 0.16252693576106 0.97980776403840 0.11474541968558 15.999 > 20 79 O 0.16252693576106 0.47980776403840 0.61474541968558 15.999 > 20 80 O 0.16252693576106 0.97980776403840 0.61474541968558 15.999 > 20 *81 Si 0.08763233609910 0.37500000000000 0.03780551899008 28.085 > 21 82 Si 0.08763233609910 0.87500000000000 0.03780551899008 28.085 > 21 83 Si 0.08763233609910 0.37500000000000 0.53780551899008 28.085 > 21 84 Si 0.08763233609910 0.87500000000000 0.53780551899008 28.085 > 21 85 Si 0.58763233609910 0.37500000000000 0.21219448100992 28.085 > 22 86 Si 0.58763233609910 0.87500000000000 0.21219448100992 28.085 > 22 87 Si 0.58763233609910 0.37500000000000 0.71219448100992 28.085 > 22 88 Si 0.58763233609910 0.87500000000000 0.71219448100992 28.085 > 22 89 Si 0.91236766390090 0.12500000000000 0.46219448100992 28.085 > 23 90 Si 0.91236766390090 0.62500000000000 0.46219448100992 28.085 > 23 91 Si 0.91236766390090 0.12500000000000 0.96219448100992 28.085 > 23 92 Si 0.91236766390090 0.62500000000000 0.96219448100992 28.085 > 23 93 Si 0.41236766390090 0.12500000000000 0.28780551899008 28.085 > 24 94 Si 0.41236766390090 0.62500000000000 0.28780551899008 28.085 > 24 95 Si 0.41236766390090 0.12500000000000 0.78780551899008 28.085 > 24 96 Si 0.41236766390090 0.62500000000000 0.78780551899008 28.085 > 24 *97 In 0.27493402277510 0.37500000000000 0.26062606870822 114.818 > 25 98 In 0.27493402277510 0.87500000000000 0.26062606870822 114.818 > 25 99 In 0.27493402277510 0.37500000000000 0.76062606870822 114.818 > 25 100 In 0.27493402277510 0.87500000000000 0.76062606870822 114.818 > 25 101 In 0.77493402277510 0.37500000000000 0.48937393129178 114.818 > 26 102 In 0.77493402277510 0.87500000000000 0.48937393129178 114.818 > 26 103 In 0.77493402277510 0.37500000000000 0.98937393129178 114.818 > 26 104 In 0.77493402277510 0.87500000000000 0.98937393129178 114.818 > 26 105 In 0.72506597722490 0.12500000000000 0.23937393129178 114.818 > 27 106 In 0.72506597722490 0.62500000000000 0.23937393129178 114.818 > 27 107 In 0.72506597722490 0.12500000000000 0.73937393129178 114.818 > 27 108 In 0.72506597722490 0.62500000000000 0.73937393129178 114.818 > 27 109 In 0.22506597722490 0.12500000000000 0.01062606870822 114.818 > 28 110 In 0.22506597722490 0.62500000000000 0.01062606870822 114.818 > 28 111 In 0.22506597722490 0.12500000000000 0.51062606870822 114.818 > 28 112 In 0.22506597722490 0.62500000000000 0.51062606870822 114.818 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4242705 0.0000000 0.0000000 0.0000000 3.4071733 0.0000000 0.0000000 0.0000000 3.2855642 -------------------------- Born effective charges -------------------------- 1 Li 1.0550212 -0.1732238 0.0153870 -0.1226868 1.0599196 0.0806713 0.0051215 0.1227549 1.2573938 2 Li 1.0550212 -0.1732238 -0.0153870 -0.1226868 1.0599196 -0.0806713 -0.0051215 -0.1227549 1.2573938 3 Li 1.0550212 0.1732238 0.0153870 0.1226868 1.0599196 -0.0806713 0.0051215 -0.1227549 1.2573938 4 Li 1.0550212 0.1732238 -0.0153870 0.1226868 1.0599196 0.0806713 -0.0051215 0.1227549 1.2573938 5 O -1.7178069 0.3257735 0.2938480 0.3693990 -2.3168674 0.0773645 0.3090918 0.1138614 -1.7244763 6 O -1.7178069 0.3257735 0.2938480 0.3693990 -2.3168674 0.0773645 0.3090918 0.1138614 -1.7244763 7 O -1.7178069 0.3257735 -0.2938480 0.3693990 -2.3168674 -0.0773645 -0.3090918 -0.1138614 -1.7244763 8 O -1.7178069 -0.3257735 0.2938480 -0.3693990 -2.3168674 -0.0773645 0.3090918 -0.1138614 -1.7244763 9 O -1.7178069 -0.3257735 -0.2938480 -0.3693990 -2.3168674 0.0773645 -0.3090918 0.1138614 -1.7244763 10 O -1.5951432 -0.0000000 0.3289416 0.0000000 -1.3634073 0.0000000 0.3026274 0.0000000 -2.3906772 11 O -1.7178069 0.3257735 -0.2938480 0.3693990 -2.3168674 -0.0773645 -0.3090918 -0.1138614 -1.7244763 12 O -1.7178069 -0.3257735 0.2938480 -0.3693990 -2.3168674 -0.0773645 0.3090918 -0.1138614 -1.7244763 13 O -1.5951432 -0.0000000 0.3289416 0.0000000 -1.3634073 0.0000000 0.3026274 0.0000000 -2.3906772 14 O -1.5951432 -0.0000000 -0.3289416 0.0000000 -1.3634073 0.0000000 -0.3026274 0.0000000 -2.3906772 15 O -2.5573861 -0.0000000 0.0962529 0.0000000 -1.4399213 0.0000000 -0.0836589 0.0000000 -1.4970785 16 O -1.5951432 -0.0000000 -0.3289416 0.0000000 -1.3634073 0.0000000 -0.3026274 0.0000000 -2.3906772 17 O -2.5573861 -0.0000000 -0.0962529 0.0000000 -1.4399213 0.0000000 0.0836589 0.0000000 -1.4970785 18 O -2.5573861 -0.0000000 -0.0962529 0.0000000 -1.4399213 0.0000000 0.0836589 0.0000000 -1.4970785 19 O -2.5573861 -0.0000000 0.0962529 0.0000000 -1.4399213 0.0000000 -0.0836589 0.0000000 -1.4970785 20 O -1.7178069 -0.3257735 -0.2938480 -0.3693990 -2.3168674 0.0773645 -0.3090918 0.1138614 -1.7244763 21 Si 3.1441793 -0.0000000 -0.2012046 0.0000000 2.9407682 0.0000000 0.2990724 0.0000000 2.9682215 22 Si 3.1441793 -0.0000000 0.2012046 0.0000000 2.9407682 0.0000000 -0.2990724 0.0000000 2.9682215 23 Si 3.1441793 -0.0000000 -0.2012046 0.0000000 2.9407682 0.0000000 0.2990724 0.0000000 2.9682215 24 Si 3.1441793 -0.0000000 0.2012046 0.0000000 2.9407682 0.0000000 -0.2990724 0.0000000 2.9682215 25 In 3.3889425 -0.0000000 -0.0293596 0.0000000 3.4363756 0.0000000 0.1422304 0.0000000 3.1110928 26 In 3.3889425 -0.0000000 0.0293596 0.0000000 3.4363756 0.0000000 -0.1422304 0.0000000 3.1110928 27 In 3.3889425 -0.0000000 -0.0293596 0.0000000 3.4363756 0.0000000 0.1422304 0.0000000 3.1110928 28 In 3.3889425 -0.0000000 0.0293596 0.0000000 3.4363756 0.0000000 -0.1422304 0.0000000 3.1110928 ---------------------------------------------------------------------------- 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: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.042 Solver_block: 200 / 480 - Time: 3.048 Solver_block: 300 / 480 - Time: 3.046 Solver_block: 400 / 480 - Time: 3.050 Solver_block: 480 / 480 - Time: 2.459 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.694 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:17:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:17:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.514961030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.065176590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.852142940000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 5 O 0.66252693576106 0.54038447192320 0.27050916062884 15.999 6 O 0.33747306423894 0.45961552807680 0.72949083937116 15.999 7 O 0.16252693576106 0.54038447192320 0.22949083937116 15.999 8 O 0.66252693576106 0.95961552807680 0.27050916062884 15.999 9 O 0.83747306423894 0.04038447192320 0.77050916062884 15.999 10 O 0.90405937548522 0.25000000000000 0.25743366891263 15.999 11 O 0.83747306423894 0.45961552807680 0.77050916062884 15.999 12 O 0.33747306423894 0.04038447192320 0.72949083937116 15.999 13 O 0.09594062451478 0.75000000000000 0.74256633108737 15.999 14 O 0.40405937548523 0.25000000000000 0.24256633108737 15.999 15 O 0.94507178983869 0.75000000000000 0.20884816997665 15.999 16 O 0.59594062451478 0.75000000000000 0.75743366891263 15.999 17 O 0.44507178983869 0.75000000000000 0.29115183002335 15.999 18 O 0.55492821016131 0.25000000000000 0.70884816997665 15.999 19 O 0.05492821016131 0.25000000000000 0.79115183002335 15.999 20 O 0.16252693576106 0.95961552807680 0.22949083937116 15.999 21 Si 0.08763233609910 0.75000000000000 0.07561103798016 28.085 22 Si 0.58763233609910 0.75000000000000 0.42438896201984 28.085 23 Si 0.91236766390090 0.25000000000000 0.92438896201984 28.085 24 Si 0.41236766390090 0.25000000000000 0.57561103798016 28.085 25 In 0.27493402277510 0.75000000000000 0.52125213741643 114.818 26 In 0.77493402277510 0.75000000000000 0.97874786258357 114.818 27 In 0.72506597722490 0.25000000000000 0.47874786258357 114.818 28 In 0.22506597722490 0.25000000000000 0.02125213741643 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.514961030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.130353180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.704285880000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 5 6 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 5 7 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 9 10 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 9 11 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 9 12 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 9 13 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 13 14 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 13 15 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 13 17 O 0.66252693576106 0.27019223596160 0.13525458031442 15.999 > 17 18 O 0.66252693576106 0.77019223596160 0.13525458031442 15.999 > 17 19 O 0.66252693576106 0.27019223596160 0.63525458031442 15.999 > 17 20 O 0.66252693576106 0.77019223596160 0.63525458031442 15.999 > 17 21 O 0.33747306423894 0.22980776403840 0.36474541968558 15.999 > 21 22 O 0.33747306423894 0.72980776403840 0.36474541968558 15.999 > 21 23 O 0.33747306423894 0.22980776403840 0.86474541968558 15.999 > 21 24 O 0.33747306423894 0.72980776403840 0.86474541968558 15.999 > 21 25 O 0.16252693576106 0.27019223596160 0.11474541968558 15.999 > 25 26 O 0.16252693576106 0.77019223596160 0.11474541968558 15.999 > 25 27 O 0.16252693576106 0.27019223596160 0.61474541968558 15.999 > 25 28 O 0.16252693576106 0.77019223596160 0.61474541968558 15.999 > 25 29 O 0.66252693576106 0.47980776403840 0.13525458031442 15.999 > 29 30 O 0.66252693576106 0.97980776403840 0.13525458031442 15.999 > 29 31 O 0.66252693576106 0.47980776403840 0.63525458031442 15.999 > 29 32 O 0.66252693576106 0.97980776403840 0.63525458031442 15.999 > 29 33 O 0.83747306423894 0.02019223596160 0.38525458031442 15.999 > 33 34 O 0.83747306423894 0.52019223596160 0.38525458031442 15.999 > 33 35 O 0.83747306423894 0.02019223596160 0.88525458031442 15.999 > 33 36 O 0.83747306423894 0.52019223596160 0.88525458031442 15.999 > 33 37 O 0.90405937548522 0.12500000000000 0.12871683445631 15.999 > 37 38 O 0.90405937548522 0.62500000000000 0.12871683445631 15.999 > 37 39 O 0.90405937548522 0.12500000000000 0.62871683445631 15.999 > 37 40 O 0.90405937548522 0.62500000000000 0.62871683445631 15.999 > 37 41 O 0.83747306423894 0.22980776403840 0.38525458031442 15.999 > 41 42 O 0.83747306423894 0.72980776403840 0.38525458031442 15.999 > 41 43 O 0.83747306423894 0.22980776403840 0.88525458031442 15.999 > 41 44 O 0.83747306423894 0.72980776403840 0.88525458031442 15.999 > 41 45 O 0.33747306423894 0.02019223596160 0.36474541968558 15.999 > 45 46 O 0.33747306423894 0.52019223596160 0.36474541968558 15.999 > 45 47 O 0.33747306423894 0.02019223596160 0.86474541968558 15.999 > 45 48 O 0.33747306423894 0.52019223596160 0.86474541968558 15.999 > 45 49 O 0.09594062451478 0.37500000000000 0.37128316554369 15.999 > 49 50 O 0.09594062451478 0.87500000000000 0.37128316554369 15.999 > 49 51 O 0.09594062451478 0.37500000000000 0.87128316554369 15.999 > 49 52 O 0.09594062451478 0.87500000000000 0.87128316554369 15.999 > 49 53 O 0.40405937548523 0.12500000000000 0.12128316554368 15.999 > 53 54 O 0.40405937548523 0.62500000000000 0.12128316554368 15.999 > 53 55 O 0.40405937548523 0.12500000000000 0.62128316554369 15.999 > 53 56 O 0.40405937548523 0.62500000000000 0.62128316554369 15.999 > 53 57 O 0.94507178983869 0.37500000000000 0.10442408498833 15.999 > 57 58 O 0.94507178983869 0.87500000000000 0.10442408498833 15.999 > 57 59 O 0.94507178983869 0.37500000000000 0.60442408498833 15.999 > 57 60 O 0.94507178983869 0.87500000000000 0.60442408498833 15.999 > 57 61 O 0.59594062451478 0.37500000000000 0.37871683445631 15.999 > 61 62 O 0.59594062451478 0.87500000000000 0.37871683445631 15.999 > 61 63 O 0.59594062451478 0.37500000000000 0.87871683445631 15.999 > 61 64 O 0.59594062451478 0.87500000000000 0.87871683445631 15.999 > 61 65 O 0.44507178983869 0.37500000000000 0.14557591501167 15.999 > 65 66 O 0.44507178983869 0.87500000000000 0.14557591501167 15.999 > 65 67 O 0.44507178983869 0.37500000000000 0.64557591501167 15.999 > 65 68 O 0.44507178983869 0.87500000000000 0.64557591501167 15.999 > 65 69 O 0.55492821016131 0.12500000000000 0.35442408498833 15.999 > 69 70 O 0.55492821016131 0.62500000000000 0.35442408498833 15.999 > 69 71 O 0.55492821016131 0.12500000000000 0.85442408498833 15.999 > 69 72 O 0.55492821016131 0.62500000000000 0.85442408498833 15.999 > 69 73 O 0.05492821016131 0.12500000000000 0.39557591501167 15.999 > 73 74 O 0.05492821016131 0.62500000000000 0.39557591501167 15.999 > 73 75 O 0.05492821016131 0.12500000000000 0.89557591501167 15.999 > 73 76 O 0.05492821016131 0.62500000000000 0.89557591501167 15.999 > 73 77 O 0.16252693576106 0.47980776403840 0.11474541968558 15.999 > 77 78 O 0.16252693576106 0.97980776403840 0.11474541968558 15.999 > 77 79 O 0.16252693576106 0.47980776403840 0.61474541968558 15.999 > 77 80 O 0.16252693576106 0.97980776403840 0.61474541968558 15.999 > 77 81 Si 0.08763233609910 0.37500000000000 0.03780551899008 28.085 > 81 82 Si 0.08763233609910 0.87500000000000 0.03780551899008 28.085 > 81 83 Si 0.08763233609910 0.37500000000000 0.53780551899008 28.085 > 81 84 Si 0.08763233609910 0.87500000000000 0.53780551899008 28.085 > 81 85 Si 0.58763233609910 0.37500000000000 0.21219448100992 28.085 > 85 86 Si 0.58763233609910 0.87500000000000 0.21219448100992 28.085 > 85 87 Si 0.58763233609910 0.37500000000000 0.71219448100992 28.085 > 85 88 Si 0.58763233609910 0.87500000000000 0.71219448100992 28.085 > 85 89 Si 0.91236766390090 0.12500000000000 0.46219448100992 28.085 > 89 90 Si 0.91236766390090 0.62500000000000 0.46219448100992 28.085 > 89 91 Si 0.91236766390090 0.12500000000000 0.96219448100992 28.085 > 89 92 Si 0.91236766390090 0.62500000000000 0.96219448100992 28.085 > 89 93 Si 0.41236766390090 0.12500000000000 0.28780551899008 28.085 > 93 94 Si 0.41236766390090 0.62500000000000 0.28780551899008 28.085 > 93 95 Si 0.41236766390090 0.12500000000000 0.78780551899008 28.085 > 93 96 Si 0.41236766390090 0.62500000000000 0.78780551899008 28.085 > 93 97 In 0.27493402277510 0.37500000000000 0.26062606870822 114.818 > 97 98 In 0.27493402277510 0.87500000000000 0.26062606870822 114.818 > 97 99 In 0.27493402277510 0.37500000000000 0.76062606870822 114.818 > 97 100 In 0.27493402277510 0.87500000000000 0.76062606870822 114.818 > 97 101 In 0.77493402277510 0.37500000000000 0.48937393129178 114.818 > 101 102 In 0.77493402277510 0.87500000000000 0.48937393129178 114.818 > 101 103 In 0.77493402277510 0.37500000000000 0.98937393129178 114.818 > 101 104 In 0.77493402277510 0.87500000000000 0.98937393129178 114.818 > 101 105 In 0.72506597722490 0.12500000000000 0.23937393129178 114.818 > 105 106 In 0.72506597722490 0.62500000000000 0.23937393129178 114.818 > 105 107 In 0.72506597722490 0.12500000000000 0.73937393129178 114.818 > 105 108 In 0.72506597722490 0.62500000000000 0.73937393129178 114.818 > 105 109 In 0.22506597722490 0.12500000000000 0.01062606870822 114.818 > 109 110 In 0.22506597722490 0.62500000000000 0.01062606870822 114.818 > 109 111 In 0.22506597722490 0.12500000000000 0.51062606870822 114.818 > 109 112 In 0.22506597722490 0.62500000000000 0.51062606870822 114.818 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4242705 0.0000000 0.0000000 0.0000000 3.4071733 0.0000000 0.0000000 0.0000000 3.2855642 -------------------------- Born effective charges -------------------------- 1 Li 1.0550212 -0.1732238 0.0153870 -0.1226868 1.0599196 0.0806713 0.0051215 0.1227549 1.2573938 2 Li 1.0550212 -0.1732238 -0.0153870 -0.1226868 1.0599196 -0.0806713 -0.0051215 -0.1227549 1.2573938 3 Li 1.0550212 0.1732238 0.0153870 0.1226868 1.0599196 -0.0806713 0.0051215 -0.1227549 1.2573938 4 Li 1.0550212 0.1732238 -0.0153870 0.1226868 1.0599196 0.0806713 -0.0051215 0.1227549 1.2573938 5 O -1.7178069 0.3257735 0.2938480 0.3693990 -2.3168674 0.0773645 0.3090918 0.1138614 -1.7244763 6 O -1.7178069 0.3257735 0.2938480 0.3693990 -2.3168674 0.0773645 0.3090918 0.1138614 -1.7244763 7 O -1.7178069 0.3257735 -0.2938480 0.3693990 -2.3168674 -0.0773645 -0.3090918 -0.1138614 -1.7244763 8 O -1.7178069 -0.3257735 0.2938480 -0.3693990 -2.3168674 -0.0773645 0.3090918 -0.1138614 -1.7244763 9 O -1.7178069 -0.3257735 -0.2938480 -0.3693990 -2.3168674 0.0773645 -0.3090918 0.1138614 -1.7244763 10 O -1.5951432 -0.0000000 0.3289416 0.0000000 -1.3634073 0.0000000 0.3026274 0.0000000 -2.3906772 11 O -1.7178069 0.3257735 -0.2938480 0.3693990 -2.3168674 -0.0773645 -0.3090918 -0.1138614 -1.7244763 12 O -1.7178069 -0.3257735 0.2938480 -0.3693990 -2.3168674 -0.0773645 0.3090918 -0.1138614 -1.7244763 13 O -1.5951432 -0.0000000 0.3289416 0.0000000 -1.3634073 0.0000000 0.3026274 0.0000000 -2.3906772 14 O -1.5951432 -0.0000000 -0.3289416 0.0000000 -1.3634073 0.0000000 -0.3026274 0.0000000 -2.3906772 15 O -2.5573861 -0.0000000 0.0962529 0.0000000 -1.4399213 0.0000000 -0.0836589 0.0000000 -1.4970785 16 O -1.5951432 -0.0000000 -0.3289416 0.0000000 -1.3634073 0.0000000 -0.3026274 0.0000000 -2.3906772 17 O -2.5573861 -0.0000000 -0.0962529 0.0000000 -1.4399213 0.0000000 0.0836589 0.0000000 -1.4970785 18 O -2.5573861 -0.0000000 -0.0962529 0.0000000 -1.4399213 0.0000000 0.0836589 0.0000000 -1.4970785 19 O -2.5573861 -0.0000000 0.0962529 0.0000000 -1.4399213 0.0000000 -0.0836589 0.0000000 -1.4970785 20 O -1.7178069 -0.3257735 -0.2938480 -0.3693990 -2.3168674 0.0773645 -0.3090918 0.1138614 -1.7244763 21 Si 3.1441793 -0.0000000 -0.2012046 0.0000000 2.9407682 0.0000000 0.2990724 0.0000000 2.9682215 22 Si 3.1441793 -0.0000000 0.2012046 0.0000000 2.9407682 0.0000000 -0.2990724 0.0000000 2.9682215 23 Si 3.1441793 -0.0000000 -0.2012046 0.0000000 2.9407682 0.0000000 0.2990724 0.0000000 2.9682215 24 Si 3.1441793 -0.0000000 0.2012046 0.0000000 2.9407682 0.0000000 -0.2990724 0.0000000 2.9682215 25 In 3.3889425 -0.0000000 -0.0293596 0.0000000 3.4363756 0.0000000 0.1422304 0.0000000 3.1110928 26 In 3.3889425 -0.0000000 0.0293596 0.0000000 3.4363756 0.0000000 -0.1422304 0.0000000 3.1110928 27 In 3.3889425 -0.0000000 -0.0293596 0.0000000 3.4363756 0.0000000 0.1422304 0.0000000 3.1110928 28 In 3.3889425 -0.0000000 0.0293596 0.0000000 3.4363756 0.0000000 -0.1422304 0.0000000 3.1110928 ---------------------------------------------------------------------------- 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[ 37, 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000004 (xzx) 0.00000004 (xzx) 0.00000004 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:17:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:17:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.514961030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.065176590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.852142940000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 5 O 0.66252693576106 0.54038447192320 0.27050916062884 15.999 6 O 0.33747306423894 0.45961552807680 0.72949083937116 15.999 7 O 0.16252693576106 0.54038447192320 0.22949083937116 15.999 8 O 0.66252693576106 0.95961552807680 0.27050916062884 15.999 9 O 0.83747306423894 0.04038447192320 0.77050916062884 15.999 10 O 0.90405937548522 0.25000000000000 0.25743366891263 15.999 11 O 0.83747306423894 0.45961552807680 0.77050916062884 15.999 12 O 0.33747306423894 0.04038447192320 0.72949083937116 15.999 13 O 0.09594062451478 0.75000000000000 0.74256633108737 15.999 14 O 0.40405937548523 0.25000000000000 0.24256633108737 15.999 15 O 0.94507178983869 0.75000000000000 0.20884816997665 15.999 16 O 0.59594062451478 0.75000000000000 0.75743366891263 15.999 17 O 0.44507178983869 0.75000000000000 0.29115183002335 15.999 18 O 0.55492821016131 0.25000000000000 0.70884816997665 15.999 19 O 0.05492821016131 0.25000000000000 0.79115183002335 15.999 20 O 0.16252693576106 0.95961552807680 0.22949083937116 15.999 21 Si 0.08763233609910 0.75000000000000 0.07561103798016 28.085 22 Si 0.58763233609910 0.75000000000000 0.42438896201984 28.085 23 Si 0.91236766390090 0.25000000000000 0.92438896201984 28.085 24 Si 0.41236766390090 0.25000000000000 0.57561103798016 28.085 25 In 0.27493402277510 0.75000000000000 0.52125213741643 114.818 26 In 0.77493402277510 0.75000000000000 0.97874786258357 114.818 27 In 0.72506597722490 0.25000000000000 0.47874786258357 114.818 28 In 0.22506597722490 0.25000000000000 0.02125213741643 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.514961030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.130353180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.704285880000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 5 6 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 5 7 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 9 10 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 9 11 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 9 12 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 9 13 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 13 14 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 13 15 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 13 17 O 0.66252693576106 0.27019223596160 0.13525458031442 15.999 > 17 18 O 0.66252693576106 0.77019223596160 0.13525458031442 15.999 > 17 19 O 0.66252693576106 0.27019223596160 0.63525458031442 15.999 > 17 20 O 0.66252693576106 0.77019223596160 0.63525458031442 15.999 > 17 21 O 0.33747306423894 0.22980776403840 0.36474541968558 15.999 > 21 22 O 0.33747306423894 0.72980776403840 0.36474541968558 15.999 > 21 23 O 0.33747306423894 0.22980776403840 0.86474541968558 15.999 > 21 24 O 0.33747306423894 0.72980776403840 0.86474541968558 15.999 > 21 25 O 0.16252693576106 0.27019223596160 0.11474541968558 15.999 > 25 26 O 0.16252693576106 0.77019223596160 0.11474541968558 15.999 > 25 27 O 0.16252693576106 0.27019223596160 0.61474541968558 15.999 > 25 28 O 0.16252693576106 0.77019223596160 0.61474541968558 15.999 > 25 29 O 0.66252693576106 0.47980776403840 0.13525458031442 15.999 > 29 30 O 0.66252693576106 0.97980776403840 0.13525458031442 15.999 > 29 31 O 0.66252693576106 0.47980776403840 0.63525458031442 15.999 > 29 32 O 0.66252693576106 0.97980776403840 0.63525458031442 15.999 > 29 33 O 0.83747306423894 0.02019223596160 0.38525458031442 15.999 > 33 34 O 0.83747306423894 0.52019223596160 0.38525458031442 15.999 > 33 35 O 0.83747306423894 0.02019223596160 0.88525458031442 15.999 > 33 36 O 0.83747306423894 0.52019223596160 0.88525458031442 15.999 > 33 37 O 0.90405937548522 0.12500000000000 0.12871683445631 15.999 > 37 38 O 0.90405937548522 0.62500000000000 0.12871683445631 15.999 > 37 39 O 0.90405937548522 0.12500000000000 0.62871683445631 15.999 > 37 40 O 0.90405937548522 0.62500000000000 0.62871683445631 15.999 > 37 41 O 0.83747306423894 0.22980776403840 0.38525458031442 15.999 > 41 42 O 0.83747306423894 0.72980776403840 0.38525458031442 15.999 > 41 43 O 0.83747306423894 0.22980776403840 0.88525458031442 15.999 > 41 44 O 0.83747306423894 0.72980776403840 0.88525458031442 15.999 > 41 45 O 0.33747306423894 0.02019223596160 0.36474541968558 15.999 > 45 46 O 0.33747306423894 0.52019223596160 0.36474541968558 15.999 > 45 47 O 0.33747306423894 0.02019223596160 0.86474541968558 15.999 > 45 48 O 0.33747306423894 0.52019223596160 0.86474541968558 15.999 > 45 49 O 0.09594062451478 0.37500000000000 0.37128316554369 15.999 > 49 50 O 0.09594062451478 0.87500000000000 0.37128316554369 15.999 > 49 51 O 0.09594062451478 0.37500000000000 0.87128316554369 15.999 > 49 52 O 0.09594062451478 0.87500000000000 0.87128316554369 15.999 > 49 53 O 0.40405937548523 0.12500000000000 0.12128316554368 15.999 > 53 54 O 0.40405937548523 0.62500000000000 0.12128316554368 15.999 > 53 55 O 0.40405937548523 0.12500000000000 0.62128316554369 15.999 > 53 56 O 0.40405937548523 0.62500000000000 0.62128316554369 15.999 > 53 57 O 0.94507178983869 0.37500000000000 0.10442408498833 15.999 > 57 58 O 0.94507178983869 0.87500000000000 0.10442408498833 15.999 > 57 59 O 0.94507178983869 0.37500000000000 0.60442408498833 15.999 > 57 60 O 0.94507178983869 0.87500000000000 0.60442408498833 15.999 > 57 61 O 0.59594062451478 0.37500000000000 0.37871683445631 15.999 > 61 62 O 0.59594062451478 0.87500000000000 0.37871683445631 15.999 > 61 63 O 0.59594062451478 0.37500000000000 0.87871683445631 15.999 > 61 64 O 0.59594062451478 0.87500000000000 0.87871683445631 15.999 > 61 65 O 0.44507178983869 0.37500000000000 0.14557591501167 15.999 > 65 66 O 0.44507178983869 0.87500000000000 0.14557591501167 15.999 > 65 67 O 0.44507178983869 0.37500000000000 0.64557591501167 15.999 > 65 68 O 0.44507178983869 0.87500000000000 0.64557591501167 15.999 > 65 69 O 0.55492821016131 0.12500000000000 0.35442408498833 15.999 > 69 70 O 0.55492821016131 0.62500000000000 0.35442408498833 15.999 > 69 71 O 0.55492821016131 0.12500000000000 0.85442408498833 15.999 > 69 72 O 0.55492821016131 0.62500000000000 0.85442408498833 15.999 > 69 73 O 0.05492821016131 0.12500000000000 0.39557591501167 15.999 > 73 74 O 0.05492821016131 0.62500000000000 0.39557591501167 15.999 > 73 75 O 0.05492821016131 0.12500000000000 0.89557591501167 15.999 > 73 76 O 0.05492821016131 0.62500000000000 0.89557591501167 15.999 > 73 77 O 0.16252693576106 0.47980776403840 0.11474541968558 15.999 > 77 78 O 0.16252693576106 0.97980776403840 0.11474541968558 15.999 > 77 79 O 0.16252693576106 0.47980776403840 0.61474541968558 15.999 > 77 80 O 0.16252693576106 0.97980776403840 0.61474541968558 15.999 > 77 81 Si 0.08763233609910 0.37500000000000 0.03780551899008 28.085 > 81 82 Si 0.08763233609910 0.87500000000000 0.03780551899008 28.085 > 81 83 Si 0.08763233609910 0.37500000000000 0.53780551899008 28.085 > 81 84 Si 0.08763233609910 0.87500000000000 0.53780551899008 28.085 > 81 85 Si 0.58763233609910 0.37500000000000 0.21219448100992 28.085 > 85 86 Si 0.58763233609910 0.87500000000000 0.21219448100992 28.085 > 85 87 Si 0.58763233609910 0.37500000000000 0.71219448100992 28.085 > 85 88 Si 0.58763233609910 0.87500000000000 0.71219448100992 28.085 > 85 89 Si 0.91236766390090 0.12500000000000 0.46219448100992 28.085 > 89 90 Si 0.91236766390090 0.62500000000000 0.46219448100992 28.085 > 89 91 Si 0.91236766390090 0.12500000000000 0.96219448100992 28.085 > 89 92 Si 0.91236766390090 0.62500000000000 0.96219448100992 28.085 > 89 93 Si 0.41236766390090 0.12500000000000 0.28780551899008 28.085 > 93 94 Si 0.41236766390090 0.62500000000000 0.28780551899008 28.085 > 93 95 Si 0.41236766390090 0.12500000000000 0.78780551899008 28.085 > 93 96 Si 0.41236766390090 0.62500000000000 0.78780551899008 28.085 > 93 97 In 0.27493402277510 0.37500000000000 0.26062606870822 114.818 > 97 98 In 0.27493402277510 0.87500000000000 0.26062606870822 114.818 > 97 99 In 0.27493402277510 0.37500000000000 0.76062606870822 114.818 > 97 100 In 0.27493402277510 0.87500000000000 0.76062606870822 114.818 > 97 101 In 0.77493402277510 0.37500000000000 0.48937393129178 114.818 > 101 102 In 0.77493402277510 0.87500000000000 0.48937393129178 114.818 > 101 103 In 0.77493402277510 0.37500000000000 0.98937393129178 114.818 > 101 104 In 0.77493402277510 0.87500000000000 0.98937393129178 114.818 > 101 105 In 0.72506597722490 0.12500000000000 0.23937393129178 114.818 > 105 106 In 0.72506597722490 0.62500000000000 0.23937393129178 114.818 > 105 107 In 0.72506597722490 0.12500000000000 0.73937393129178 114.818 > 105 108 In 0.72506597722490 0.62500000000000 0.73937393129178 114.818 > 105 109 In 0.22506597722490 0.12500000000000 0.01062606870822 114.818 > 109 110 In 0.22506597722490 0.62500000000000 0.01062606870822 114.818 > 109 111 In 0.22506597722490 0.12500000000000 0.51062606870822 114.818 > 109 112 In 0.22506597722490 0.62500000000000 0.51062606870822 114.818 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4242705 0.0000000 0.0000000 0.0000000 3.4071733 0.0000000 0.0000000 0.0000000 3.2855642 -------------------------- Born effective charges -------------------------- 1 Li 1.0550212 -0.1732238 0.0153870 -0.1226868 1.0599196 0.0806713 0.0051215 0.1227549 1.2573938 2 Li 1.0550212 -0.1732238 -0.0153870 -0.1226868 1.0599196 -0.0806713 -0.0051215 -0.1227549 1.2573938 3 Li 1.0550212 0.1732238 0.0153870 0.1226868 1.0599196 -0.0806713 0.0051215 -0.1227549 1.2573938 4 Li 1.0550212 0.1732238 -0.0153870 0.1226868 1.0599196 0.0806713 -0.0051215 0.1227549 1.2573938 5 O -1.7178069 0.3257735 0.2938480 0.3693990 -2.3168674 0.0773645 0.3090918 0.1138614 -1.7244763 6 O -1.7178069 0.3257735 0.2938480 0.3693990 -2.3168674 0.0773645 0.3090918 0.1138614 -1.7244763 7 O -1.7178069 0.3257735 -0.2938480 0.3693990 -2.3168674 -0.0773645 -0.3090918 -0.1138614 -1.7244763 8 O -1.7178069 -0.3257735 0.2938480 -0.3693990 -2.3168674 -0.0773645 0.3090918 -0.1138614 -1.7244763 9 O -1.7178069 -0.3257735 -0.2938480 -0.3693990 -2.3168674 0.0773645 -0.3090918 0.1138614 -1.7244763 10 O -1.5951432 -0.0000000 0.3289416 0.0000000 -1.3634073 0.0000000 0.3026274 0.0000000 -2.3906772 11 O -1.7178069 0.3257735 -0.2938480 0.3693990 -2.3168674 -0.0773645 -0.3090918 -0.1138614 -1.7244763 12 O -1.7178069 -0.3257735 0.2938480 -0.3693990 -2.3168674 -0.0773645 0.3090918 -0.1138614 -1.7244763 13 O -1.5951432 -0.0000000 0.3289416 0.0000000 -1.3634073 0.0000000 0.3026274 0.0000000 -2.3906772 14 O -1.5951432 -0.0000000 -0.3289416 0.0000000 -1.3634073 0.0000000 -0.3026274 0.0000000 -2.3906772 15 O -2.5573861 -0.0000000 0.0962529 0.0000000 -1.4399213 0.0000000 -0.0836589 0.0000000 -1.4970785 16 O -1.5951432 -0.0000000 -0.3289416 0.0000000 -1.3634073 0.0000000 -0.3026274 0.0000000 -2.3906772 17 O -2.5573861 -0.0000000 -0.0962529 0.0000000 -1.4399213 0.0000000 0.0836589 0.0000000 -1.4970785 18 O -2.5573861 -0.0000000 -0.0962529 0.0000000 -1.4399213 0.0000000 0.0836589 0.0000000 -1.4970785 19 O -2.5573861 -0.0000000 0.0962529 0.0000000 -1.4399213 0.0000000 -0.0836589 0.0000000 -1.4970785 20 O -1.7178069 -0.3257735 -0.2938480 -0.3693990 -2.3168674 0.0773645 -0.3090918 0.1138614 -1.7244763 21 Si 3.1441793 -0.0000000 -0.2012046 0.0000000 2.9407682 0.0000000 0.2990724 0.0000000 2.9682215 22 Si 3.1441793 -0.0000000 0.2012046 0.0000000 2.9407682 0.0000000 -0.2990724 0.0000000 2.9682215 23 Si 3.1441793 -0.0000000 -0.2012046 0.0000000 2.9407682 0.0000000 0.2990724 0.0000000 2.9682215 24 Si 3.1441793 -0.0000000 0.2012046 0.0000000 2.9407682 0.0000000 -0.2990724 0.0000000 2.9682215 25 In 3.3889425 -0.0000000 -0.0293596 0.0000000 3.4363756 0.0000000 0.1422304 0.0000000 3.1110928 26 In 3.3889425 -0.0000000 0.0293596 0.0000000 3.4363756 0.0000000 -0.1422304 0.0000000 3.1110928 27 In 3.3889425 -0.0000000 -0.0293596 0.0000000 3.4363756 0.0000000 0.1422304 0.0000000 3.1110928 28 In 3.3889425 -0.0000000 0.0293596 0.0000000 3.4363756 0.0000000 -0.1422304 0.0000000 3.1110928 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xzx) 0.00000004 (xzx) 0.00000004 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 10 ] 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: 0.61, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 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 2.556 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.067 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.869 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.615 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.348 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.471 ( 0.000 0.000 0.000) 0.000 10.643 ( 0.000 0.000 0.000) 0.000 10.747 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.204 ( 0.000 0.000 0.000) 0.000 12.121 ( 0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.598 ( 0.000 0.000 0.000) 0.000 12.622 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 13.470 ( 0.000 0.000 0.000) 0.000 13.545 ( 0.000 0.000 0.000) 0.000 13.719 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 13.905 ( 0.000 0.000 0.000) 0.000 13.925 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 14.957 ( 0.000 0.000 0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 15.942 ( 0.000 0.000 0.000) 0.000 15.948 ( 0.000 0.000 0.000) 0.000 17.528 ( 0.000 0.000 0.000) 0.000 17.581 ( 0.000 0.000 0.000) 0.000 17.969 ( 0.000 0.000 0.000) 0.000 18.041 ( 0.000 0.000 0.000) 0.000 23.395 ( 0.000 0.000 0.000) 0.000 23.560 ( 0.000 0.000 0.000) 0.000 24.410 ( 0.000 0.000 0.000) 0.000 24.475 ( 0.000 0.000 0.000) 0.000 24.572 ( 0.000 0.000 0.000) 0.000 24.592 ( 0.000 0.000 0.000) 0.000 24.675 ( 0.000 0.000 0.000) 0.000 24.812 ( 0.000 0.000 0.000) 0.000 26.083 ( 0.000 0.000 0.000) 0.000 26.618 ( 0.000 0.000 0.000) 0.000 26.963 ( 0.000 0.000 0.000) 0.000 27.698 ( 0.000 0.000 0.000) 0.000 28.575 ( 0.000 0.000 0.000) 0.000 28.916 ( 0.000 0.000 0.000) 0.000 29.158 ( 0.000 0.000 0.000) 0.000 30.470 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 35.104 0.000 0.000) 35.104 0.684 ( 35.095 0.000 0.000) 35.095 1.171 ( 57.184 0.000 0.000) 57.184 2.377 ( -21.387 0.000 0.000) 21.387 2.443 ( -9.603 0.000 0.000) 9.603 3.417 ( 16.280 0.000 0.000) 16.280 3.951 ( -4.779 0.000 0.000) 4.779 3.993 ( -4.864 0.000 0.000) 4.864 4.203 ( -23.469 0.000 0.000) 23.469 4.384 ( -13.553 0.000 0.000) 13.553 4.643 ( 0.933 0.000 0.000) 0.933 4.690 ( 1.152 0.000 0.000) 1.152 4.765 ( 4.895 0.000 0.000) 4.895 4.833 ( -5.468 0.000 0.000) 5.468 5.129 ( 11.691 0.000 0.000) 11.691 5.287 ( 14.330 0.000 0.000) 14.330 5.391 ( 7.311 0.000 0.000) 7.311 5.935 ( 1.709 0.000 0.000) 1.709 5.936 ( -2.679 0.000 0.000) 2.679 6.163 ( -0.814 0.000 0.000) 0.814 6.214 ( -2.441 0.000 0.000) 2.441 6.300 ( -2.679 0.000 0.000) 2.679 6.383 ( 2.222 0.000 0.000) 2.222 6.727 ( -11.167 0.000 0.000) 11.167 6.875 ( -11.981 0.000 0.000) 11.981 6.949 ( -17.832 0.000 0.000) 17.832 7.275 ( 14.033 0.000 0.000) 14.033 7.474 ( 7.031 0.000 0.000) 7.031 7.962 ( 8.357 0.000 0.000) 8.357 8.181 ( -0.383 0.000 0.000) 0.383 8.263 ( 1.296 0.000 0.000) 1.296 8.409 ( 5.199 0.000 0.000) 5.199 8.603 ( -3.229 0.000 0.000) 3.229 8.613 ( -7.176 0.000 0.000) 7.176 8.780 ( -5.544 0.000 0.000) 5.544 9.002 ( -2.532 0.000 0.000) 2.532 9.362 ( 19.133 0.000 0.000) 19.133 9.589 ( 7.937 0.000 0.000) 7.937 10.132 ( 4.289 0.000 0.000) 4.289 10.155 ( -5.045 0.000 0.000) 5.045 10.349 ( -0.966 0.000 0.000) 0.966 10.351 ( -11.354 0.000 0.000) 11.354 10.641 ( -0.080 0.000 0.000) 0.080 10.728 ( -1.871 0.000 0.000) 1.871 11.248 ( 3.673 0.000 0.000) 3.673 11.464 ( -3.381 0.000 0.000) 3.381 12.145 ( 2.394 0.000 0.000) 2.394 12.334 ( -2.209 0.000 0.000) 2.209 12.589 ( 1.039 0.000 0.000) 1.039 12.678 ( 3.699 0.000 0.000) 3.699 12.736 ( -0.582 0.000 0.000) 0.582 12.796 ( -0.317 0.000 0.000) 0.317 13.489 ( 1.902 0.000 0.000) 1.902 13.563 ( 1.543 0.000 0.000) 1.543 13.711 ( -0.504 0.000 0.000) 0.504 13.874 ( -3.066 0.000 0.000) 3.066 13.916 ( 2.208 0.000 0.000) 2.208 14.331 ( -10.138 0.000 0.000) 10.138 14.909 ( 0.825 0.000 0.000) 0.825 14.955 ( -0.322 0.000 0.000) 0.322 15.348 ( 9.523 0.000 0.000) 9.523 15.670 ( 1.436 0.000 0.000) 1.436 15.911 ( -2.939 0.000 0.000) 2.939 16.018 ( -3.756 0.000 0.000) 3.756 17.529 ( 0.171 0.000 0.000) 0.171 17.569 ( -1.117 0.000 0.000) 1.117 18.093 ( 5.092 0.000 0.000) 5.092 18.445 ( -3.724 0.000 0.000) 3.724 23.409 ( 1.412 0.000 0.000) 1.412 23.542 ( -1.825 0.000 0.000) 1.825 24.430 ( 1.971 0.000 0.000) 1.971 24.563 ( -0.240 0.000 0.000) 0.240 24.570 ( -0.251 0.000 0.000) 0.251 24.576 ( -1.588 0.000 0.000) 1.588 24.692 ( 1.641 0.000 0.000) 1.641 24.801 ( -1.126 0.000 0.000) 1.126 26.127 ( 4.566 0.000 0.000) 4.566 26.555 ( -6.147 0.000 0.000) 6.147 27.763 ( 6.421 0.000 0.000) 6.421 28.317 ( -9.928 0.000 0.000) 9.928 28.680 ( 6.668 0.000 0.000) 6.668 28.904 ( -1.304 0.000 0.000) 1.304 30.478 ( 0.868 0.000 0.000) 0.868 30.550 ( -0.859 0.000 0.000) 0.859 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 30.452 0.000 0.000) 30.452 1.324 ( 32.364 0.000 0.000) 32.364 1.759 ( -8.918 0.000 0.000) 8.918 1.901 ( -28.029 0.000 0.000) 28.029 2.607 ( 40.568 0.000 0.000) 40.568 3.494 ( -44.489 0.000 0.000) 44.489 3.747 ( 17.764 0.000 0.000) 17.764 3.907 ( -2.242 0.000 0.000) 2.242 3.914 ( -2.683 0.000 0.000) 2.683 4.082 ( -17.232 0.000 0.000) 17.232 4.679 ( 2.851 0.000 0.000) 2.851 4.746 ( -4.061 0.000 0.000) 4.061 4.766 ( 4.555 0.000 0.000) 4.555 4.816 ( -0.099 0.000 0.000) 0.099 5.442 ( 19.440 0.000 0.000) 19.440 5.518 ( 8.009 0.000 0.000) 8.009 5.535 ( 5.586 0.000 0.000) 5.586 5.783 ( -14.104 0.000 0.000) 14.104 5.984 ( 3.722 0.000 0.000) 3.722 6.087 ( -6.360 0.000 0.000) 6.360 6.195 ( 0.505 0.000 0.000) 0.505 6.235 ( -3.527 0.000 0.000) 3.527 6.453 ( 5.561 0.000 0.000) 5.561 6.598 ( -1.543 0.000 0.000) 1.543 6.625 ( -13.525 0.000 0.000) 13.525 6.668 ( -8.281 0.000 0.000) 8.281 7.495 ( 8.156 0.000 0.000) 8.156 7.561 ( 1.141 0.000 0.000) 1.141 8.118 ( 6.187 0.000 0.000) 6.187 8.173 ( -0.666 0.000 0.000) 0.666 8.316 ( 4.787 0.000 0.000) 4.787 8.450 ( -8.796 0.000 0.000) 8.796 8.451 ( 1.234 0.000 0.000) 1.234 8.519 ( -5.087 0.000 0.000) 5.087 8.808 ( 6.197 0.000 0.000) 6.197 8.927 ( -5.357 0.000 0.000) 5.357 9.711 ( 16.383 0.000 0.000) 16.383 9.789 ( 11.654 0.000 0.000) 11.654 10.010 ( -9.515 0.000 0.000) 9.515 10.093 ( -14.405 0.000 0.000) 14.405 10.228 ( 5.177 0.000 0.000) 5.177 10.311 ( -3.252 0.000 0.000) 3.252 10.649 ( 1.177 0.000 0.000) 1.177 10.685 ( -2.350 0.000 0.000) 2.350 11.318 ( 3.584 0.000 0.000) 3.584 11.389 ( -4.003 0.000 0.000) 4.003 12.205 ( 3.712 0.000 0.000) 3.712 12.277 ( -3.599 0.000 0.000) 3.599 12.641 ( 3.924 0.000 0.000) 3.924 12.709 ( -2.592 0.000 0.000) 2.592 12.740 ( 2.653 0.000 0.000) 2.653 12.779 ( -1.480 0.000 0.000) 1.480 13.536 ( 2.689 0.000 0.000) 2.689 13.576 ( -0.931 0.000 0.000) 0.931 13.726 ( 2.608 0.000 0.000) 2.608 13.799 ( -4.438 0.000 0.000) 4.438 13.987 ( 5.525 0.000 0.000) 5.525 14.132 ( -9.635 0.000 0.000) 9.635 14.928 ( 1.026 0.000 0.000) 1.026 14.945 ( -0.724 0.000 0.000) 0.724 15.540 ( 9.542 0.000 0.000) 9.542 15.672 ( -3.086 0.000 0.000) 3.086 15.869 ( 0.233 0.000 0.000) 0.233 15.930 ( -4.898 0.000 0.000) 4.898 17.535 ( 0.450 0.000 0.000) 0.450 17.548 ( -0.926 0.000 0.000) 0.926 18.214 ( 7.129 0.000 0.000) 7.129 18.347 ( -6.397 0.000 0.000) 6.397 23.447 ( 2.439 0.000 0.000) 2.439 23.497 ( -2.685 0.000 0.000) 2.685 24.479 ( 2.937 0.000 0.000) 2.937 24.534 ( -2.709 0.000 0.000) 2.709 24.561 ( 0.027 0.000 0.000) 0.027 24.564 ( -0.278 0.000 0.000) 0.278 24.730 ( 2.227 0.000 0.000) 2.227 24.771 ( -1.961 0.000 0.000) 1.961 26.248 ( 7.781 0.000 0.000) 7.781 26.408 ( -8.627 0.000 0.000) 8.627 27.921 ( 9.735 0.000 0.000) 9.735 28.118 ( -10.665 0.000 0.000) 10.665 28.791 ( 4.852 0.000 0.000) 4.852 28.864 ( -2.905 0.000 0.000) 2.905 30.501 ( 1.399 0.000 0.000) 1.399 30.528 ( -1.393 0.000 0.000) 1.393 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.000 32.051 0.000) 32.051 0.733 ( 0.000 35.191 0.000) 35.191 1.339 ( 0.000 62.868 0.000) 62.868 2.604 ( 0.000 4.805 0.000) 4.805 2.823 ( 0.000 17.395 0.000) 17.395 3.298 ( 0.000 6.889 0.000) 6.889 3.921 ( 0.000 -7.463 0.000) 7.463 3.968 ( 0.000 -7.767 0.000) 7.767 4.248 ( 0.000 -7.634 0.000) 7.634 4.360 ( 0.000 -12.518 0.000) 12.518 4.735 ( 0.000 0.454 0.000) 0.454 4.754 ( 0.000 1.428 0.000) 1.428 4.874 ( 0.000 17.173 0.000) 17.173 5.018 ( 0.000 10.024 0.000) 10.024 5.230 ( 0.000 -7.608 0.000) 7.608 5.236 ( 0.000 13.844 0.000) 13.844 5.310 ( 0.000 4.099 0.000) 4.099 5.909 ( 0.000 -3.337 0.000) 3.337 6.242 ( 0.000 6.762 0.000) 6.762 6.304 ( 0.000 5.046 0.000) 5.046 6.314 ( 0.000 -1.999 0.000) 1.999 6.374 ( 0.000 2.169 0.000) 2.169 6.881 ( 0.000 -1.673 0.000) 1.673 6.961 ( 0.000 -6.475 0.000) 6.475 6.970 ( 0.000 7.554 0.000) 7.554 6.996 ( 0.000 -2.624 0.000) 2.624 7.334 ( 0.000 12.446 0.000) 12.446 7.601 ( 0.000 0.383 0.000) 0.383 7.651 ( 0.000 -1.847 0.000) 1.847 7.850 ( 0.000 -1.955 0.000) 1.955 8.247 ( 0.000 -0.781 0.000) 0.781 8.398 ( 0.000 6.593 0.000) 6.593 8.545 ( 0.000 -5.526 0.000) 5.526 8.663 ( 0.000 2.154 0.000) 2.154 8.710 ( 0.000 0.940 0.000) 0.940 8.940 ( 0.000 -0.751 0.000) 0.751 9.035 ( 0.000 -3.045 0.000) 3.045 9.342 ( 0.000 -0.239 0.000) 0.239 9.517 ( 0.000 0.851 0.000) 0.851 10.215 ( 0.000 -4.535 0.000) 4.535 10.241 ( 0.000 -12.415 0.000) 12.415 10.332 ( 0.000 -2.609 0.000) 2.609 10.874 ( 0.000 -10.645 0.000) 10.645 10.900 ( 0.000 15.368 0.000) 15.368 11.147 ( 0.000 -5.461 0.000) 5.461 11.808 ( 0.000 1.066 0.000) 1.066 12.040 ( 0.000 -4.437 0.000) 4.437 12.409 ( 0.000 5.349 0.000) 5.349 12.458 ( 0.000 13.184 0.000) 13.184 12.519 ( 0.000 -7.299 0.000) 7.299 12.728 ( 0.000 9.556 0.000) 9.556 12.767 ( 0.000 -2.268 0.000) 2.268 13.498 ( 0.000 2.122 0.000) 2.122 13.515 ( 0.000 -2.791 0.000) 2.791 13.708 ( 0.000 -0.651 0.000) 0.651 13.809 ( 0.000 -10.167 0.000) 10.167 13.861 ( 0.000 -3.601 0.000) 3.601 14.904 ( 0.000 -5.104 0.000) 5.104 14.959 ( 0.000 4.860 0.000) 4.860 15.095 ( 0.000 -1.221 0.000) 1.221 15.286 ( 0.000 3.769 0.000) 3.769 15.673 ( 0.000 1.590 0.000) 1.590 15.912 ( 0.000 -2.706 0.000) 2.706 15.926 ( 0.000 -2.092 0.000) 2.092 17.555 ( 0.000 2.499 0.000) 2.499 17.591 ( 0.000 0.956 0.000) 0.956 17.953 ( 0.000 -1.526 0.000) 1.526 18.018 ( 0.000 -2.117 0.000) 2.117 23.614 ( 0.000 5.113 0.000) 5.113 24.375 ( 0.000 -4.729 0.000) 4.729 24.429 ( 0.000 1.115 0.000) 1.115 24.605 ( 0.000 3.041 0.000) 3.041 24.653 ( 0.000 -2.063 0.000) 2.063 24.766 ( 0.000 11.799 0.000) 11.799 24.817 ( 0.000 0.627 0.000) 0.627 26.040 ( 0.000 -4.046 0.000) 4.046 26.668 ( 0.000 4.924 0.000) 4.924 26.810 ( 0.000 0.977 0.000) 0.977 26.952 ( 0.000 -1.067 0.000) 1.067 27.672 ( 0.000 -2.469 0.000) 2.469 28.593 ( 0.000 1.775 0.000) 1.775 28.925 ( 0.000 1.050 0.000) 1.050 29.132 ( 0.000 -2.493 0.000) 2.493 30.341 ( 0.000 -11.953 0.000) 11.953 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 24.756 21.293 0.000) 32.654 0.982 ( 23.292 25.038 0.000) 34.196 1.757 ( 33.811 45.003 0.000) 56.290 2.500 ( -7.305 6.474 0.000) 9.760 2.554 ( -21.894 15.504 0.000) 26.827 3.517 ( 16.722 8.492 0.000) 18.755 3.867 ( -4.281 -7.419 0.000) 8.566 3.909 ( -4.800 -7.781 0.000) 9.142 4.202 ( -13.881 -0.709 0.000) 13.899 4.357 ( -3.707 -6.712 0.000) 7.668 4.553 ( -5.075 -0.711 0.000) 5.124 4.770 ( 0.749 0.307 0.000) 0.809 4.917 ( -0.428 13.225 0.000) 13.232 4.971 ( -9.439 9.267 0.000) 13.228 5.084 ( 3.934 6.440 0.000) 7.547 5.312 ( 7.318 -6.037 0.000) 9.486 5.535 ( 13.126 11.242 0.000) 17.282 5.898 ( -1.820 -3.308 0.000) 3.776 6.237 ( -1.905 5.268 0.000) 5.602 6.268 ( -1.640 5.422 0.000) 5.665 6.279 ( -10.381 7.789 0.000) 12.978 6.314 ( -2.678 1.757 0.000) 3.203 6.489 ( -8.566 18.076 0.000) 20.003 6.737 ( -8.023 2.325 0.000) 8.353 6.869 ( -9.923 -1.244 0.000) 10.000 7.002 ( -11.500 2.589 0.000) 11.788 7.315 ( 6.284 5.148 0.000) 8.123 7.512 ( 3.963 3.829 0.000) 5.511 7.935 ( 7.323 -2.601 0.000) 7.771 8.058 ( 7.467 -10.759 0.000) 13.096 8.285 ( 1.863 1.015 0.000) 2.122 8.423 ( 2.359 1.707 0.000) 2.911 8.502 ( -5.880 -7.228 0.000) 9.318 8.653 ( -3.895 1.594 0.000) 4.209 8.791 ( -4.347 1.708 0.000) 4.671 8.867 ( 8.244 -9.555 0.000) 12.620 9.287 ( 15.147 -6.813 0.000) 16.609 9.377 ( 5.668 -10.027 0.000) 11.518 9.721 ( 13.860 -3.507 0.000) 14.296 10.197 ( -5.349 -9.002 0.000) 10.471 10.241 ( 2.060 -4.258 0.000) 4.730 10.312 ( -1.159 -3.228 0.000) 3.430 10.829 ( -3.569 -4.995 0.000) 6.139 10.832 ( -4.765 10.744 0.000) 11.753 11.227 ( 6.104 -0.750 0.000) 6.150 11.627 ( -10.632 9.758 0.000) 14.432 12.120 ( 3.458 -5.261 0.000) 6.296 12.317 ( -5.689 -1.869 0.000) 5.988 12.579 ( 7.921 1.803 0.000) 8.124 12.612 ( 5.783 -0.922 0.000) 5.856 12.726 ( -0.159 7.976 0.000) 7.977 12.761 ( -0.535 -2.248 0.000) 2.311 13.510 ( 1.136 1.385 0.000) 1.791 13.539 ( 1.932 -2.448 0.000) 3.118 13.721 ( 1.873 1.393 0.000) 2.335 13.849 ( 2.186 -8.367 0.000) 8.648 13.880 ( 2.209 -3.555 0.000) 4.185 14.669 ( -28.172 17.180 0.000) 32.997 14.913 ( 0.819 -4.048 0.000) 4.130 14.971 ( -2.320 4.925 0.000) 5.444 15.320 ( 8.088 -1.019 0.000) 8.152 15.678 ( 0.306 0.627 0.000) 0.698 15.881 ( -2.936 -2.699 0.000) 3.988 15.956 ( -1.044 -4.268 0.000) 4.394 17.550 ( -0.014 2.139 0.000) 2.139 17.581 ( -0.815 1.267 0.000) 1.506 18.058 ( 3.874 -3.123 0.000) 4.976 18.141 ( 9.434 -13.108 0.000) 16.150 23.617 ( 0.519 6.783 0.000) 6.803 24.209 ( -22.398 13.736 0.000) 26.274 24.452 ( 2.282 1.480 0.000) 2.720 24.609 ( 0.461 3.549 0.000) 3.579 24.649 ( -2.354 -0.164 0.000) 2.360 24.741 ( -2.429 10.935 0.000) 11.202 24.805 ( -1.247 0.616 0.000) 1.391 24.882 ( -38.873 39.771 0.000) 55.613 26.158 ( 4.391 3.862 0.000) 5.848 26.604 ( -6.284 4.851 0.000) 7.939 27.733 ( 5.915 -2.952 0.000) 6.611 28.106 ( 7.455 -19.519 0.000) 20.895 28.669 ( 7.159 0.103 0.000) 7.160 28.912 ( -1.410 0.959 0.000) 1.705 29.760 ( 38.481 -38.530 0.000) 54.455 30.337 ( -0.573 -13.020 0.000) 13.032 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 25.334 11.600 0.000) 27.863 1.481 ( 25.427 13.946 0.000) 29.000 1.959 ( -13.870 16.781 0.000) 21.771 2.092 ( -25.222 16.646 0.000) 30.220 2.818 ( 41.248 20.303 0.000) 45.974 3.613 ( -36.282 10.085 0.000) 37.658 3.820 ( -0.094 -4.149 0.000) 4.150 3.831 ( -2.708 -7.659 0.000) 8.124 3.861 ( 12.841 6.456 0.000) 14.372 4.164 ( -14.840 4.996 0.000) 15.659 4.623 ( 7.019 -2.268 0.000) 7.376 4.739 ( -4.457 -0.701 0.000) 4.511 4.885 ( -0.531 5.584 0.000) 5.609 4.893 ( -1.085 7.958 0.000) 8.031 5.251 ( 11.152 -4.094 0.000) 11.879 5.398 ( -1.371 -7.335 0.000) 7.462 5.755 ( 8.265 9.930 0.000) 12.919 5.839 ( -3.097 2.262 0.000) 3.836 6.145 ( -1.207 10.172 0.000) 10.244 6.180 ( -2.872 5.501 0.000) 6.206 6.263 ( -0.063 6.474 0.000) 6.475 6.277 ( -1.803 3.531 0.000) 3.964 6.504 ( 5.698 7.253 0.000) 9.224 6.638 ( -1.879 3.685 0.000) 4.136 6.694 ( -7.001 2.335 0.000) 7.380 6.702 ( -14.800 7.879 0.000) 16.767 7.482 ( 7.840 -0.686 0.000) 7.870 7.561 ( -0.208 0.316 0.000) 0.379 8.070 ( 5.638 -4.257 0.000) 7.064 8.117 ( 0.546 -5.290 0.000) 5.318 8.296 ( 0.458 -2.312 0.000) 2.357 8.364 ( -6.903 -6.274 0.000) 9.328 8.474 ( 3.619 1.838 0.000) 4.059 8.564 ( -5.169 2.340 0.000) 5.674 8.813 ( 4.728 0.881 0.000) 4.809 8.898 ( -2.851 -2.986 0.000) 4.129 9.512 ( 5.994 -17.875 0.000) 18.853 9.513 ( 6.883 -14.847 0.000) 16.365 9.913 ( 7.029 -0.888 0.000) 7.085 10.052 ( -8.402 -1.152 0.000) 8.480 10.275 ( 1.408 -3.174 0.000) 3.472 10.296 ( -0.830 -3.908 0.000) 3.995 10.768 ( -1.544 6.254 0.000) 6.442 10.773 ( -1.868 1.429 0.000) 2.352 11.340 ( 5.767 3.571 0.000) 6.783 11.460 ( -7.261 7.595 0.000) 10.507 12.173 ( 2.611 -4.635 0.000) 5.320 12.230 ( -3.551 -4.729 0.000) 5.914 12.683 ( 3.004 1.907 0.000) 3.558 12.694 ( 2.306 2.894 0.000) 3.700 12.726 ( 0.339 1.612 0.000) 1.648 12.746 ( -1.097 -2.353 0.000) 2.596 13.537 ( 1.522 -0.287 0.000) 1.549 13.557 ( -0.312 -1.991 0.000) 2.016 13.789 ( 4.419 3.595 0.000) 5.696 13.852 ( -1.830 -2.208 0.000) 2.868 13.968 ( 8.166 -0.005 0.000) 8.166 14.220 ( -18.405 11.172 0.000) 21.531 14.930 ( 0.923 -1.465 0.000) 1.731 14.946 ( -0.826 1.548 0.000) 1.754 15.501 ( 9.634 -2.865 0.000) 10.051 15.649 ( -4.781 -2.009 0.000) 5.186 15.843 ( 0.523 -2.167 0.000) 2.229 15.897 ( -4.034 -2.863 0.000) 4.946 17.554 ( 0.444 1.909 0.000) 1.959 17.566 ( -0.748 1.716 0.000) 1.872 18.145 ( 4.671 -5.799 0.000) 7.446 18.209 ( -1.086 -10.035 0.000) 10.093 23.651 ( 3.683 12.459 0.000) 12.992 23.800 ( -13.799 23.250 0.000) 27.037 24.503 ( 2.648 2.168 0.000) 3.422 24.553 ( -3.237 4.460 0.000) 5.511 24.630 ( 1.960 5.496 0.000) 5.836 24.683 ( -3.310 8.574 0.000) 9.191 24.735 ( 1.488 2.146 0.000) 2.612 24.773 ( -2.037 0.734 0.000) 2.165 26.285 ( 8.270 3.947 0.000) 9.164 26.453 ( -8.960 4.555 0.000) 10.051 27.876 ( 8.637 -4.440 0.000) 9.712 28.041 ( -7.976 -7.627 0.000) 11.036 28.790 ( 5.276 0.235 0.000) 5.282 28.870 ( -3.131 0.686 0.000) 3.205 30.191 ( 11.164 -26.575 0.000) 28.825 30.309 ( -2.869 -16.989 0.000) 17.230 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.000 33.251 0.000) 33.251 1.442 ( 0.000 33.391 0.000) 33.391 2.520 ( 0.000 47.634 0.000) 47.634 2.764 ( 0.000 11.912 0.000) 11.912 3.250 ( 0.000 21.992 0.000) 21.992 3.397 ( 0.000 -1.745 0.000) 1.745 3.757 ( 0.000 -5.089 0.000) 5.089 3.772 ( 0.000 -8.774 0.000) 8.774 4.062 ( 0.000 -16.070 0.000) 16.070 4.120 ( 0.000 -4.888 0.000) 4.888 4.726 ( 0.000 -4.324 0.000) 4.324 4.743 ( 0.000 -1.765 0.000) 1.765 5.081 ( 0.000 -2.472 0.000) 2.472 5.257 ( 0.000 19.131 0.000) 19.131 5.303 ( 0.000 15.166 0.000) 15.166 5.390 ( 0.000 2.849 0.000) 2.849 5.568 ( 0.000 17.277 0.000) 17.277 5.827 ( 0.000 -4.418 0.000) 4.418 6.257 ( 0.000 -3.038 0.000) 3.038 6.324 ( 0.000 -1.347 0.000) 1.347 6.443 ( 0.000 3.798 0.000) 3.798 6.461 ( 0.000 10.655 0.000) 10.655 6.762 ( 0.000 -12.415 0.000) 12.415 6.930 ( 0.000 -3.411 0.000) 3.411 6.961 ( 0.000 9.128 0.000) 9.128 7.157 ( 0.000 9.339 0.000) 9.339 7.586 ( 0.000 11.289 0.000) 11.289 7.605 ( 0.000 -0.266 0.000) 0.266 7.654 ( 0.000 3.549 0.000) 3.549 7.780 ( 0.000 -5.062 0.000) 5.062 8.213 ( 0.000 -2.741 0.000) 2.741 8.409 ( 0.000 -7.338 0.000) 7.338 8.577 ( 0.000 9.644 0.000) 9.644 8.689 ( 0.000 -0.300 0.000) 0.300 8.701 ( 0.000 -2.120 0.000) 2.120 8.941 ( 0.000 1.859 0.000) 1.859 8.953 ( 0.000 -4.528 0.000) 4.528 9.362 ( 0.000 2.815 0.000) 2.815 9.563 ( 0.000 4.066 0.000) 4.066 9.987 ( 0.000 -12.584 0.000) 12.584 10.084 ( 0.000 -7.986 0.000) 7.986 10.300 ( 0.000 0.313 0.000) 0.313 10.600 ( 0.000 -15.077 0.000) 15.077 10.987 ( 0.000 -9.750 0.000) 9.750 11.207 ( 0.000 14.344 0.000) 14.344 11.830 ( 0.000 0.891 0.000) 0.891 11.960 ( 0.000 -3.464 0.000) 3.464 12.317 ( 0.000 -11.803 0.000) 11.803 12.573 ( 0.000 10.145 0.000) 10.145 12.738 ( 0.000 0.227 0.000) 0.227 12.747 ( 0.000 13.931 0.000) 13.931 12.971 ( 0.000 12.712 0.000) 12.712 13.438 ( 0.000 -4.605 0.000) 4.605 13.527 ( 0.000 0.056 0.000) 0.056 13.557 ( 0.000 -13.085 0.000) 13.085 13.726 ( 0.000 3.535 0.000) 3.535 13.737 ( 0.000 -8.447 0.000) 8.447 14.751 ( 0.000 -9.688 0.000) 9.688 15.062 ( 0.000 4.398 0.000) 4.398 15.085 ( 0.000 0.359 0.000) 0.359 15.380 ( 0.000 5.203 0.000) 5.203 15.707 ( 0.000 1.510 0.000) 1.510 15.845 ( 0.000 -3.422 0.000) 3.422 15.862 ( 0.000 -4.113 0.000) 4.113 17.622 ( 0.000 3.823 0.000) 3.823 17.625 ( 0.000 2.412 0.000) 2.412 17.910 ( 0.000 -2.596 0.000) 2.596 17.958 ( 0.000 -3.577 0.000) 3.577 23.760 ( 0.000 8.712 0.000) 8.712 24.318 ( 0.000 -0.820 0.000) 0.820 24.421 ( 0.000 -2.417 0.000) 2.417 24.592 ( 0.000 -3.757 0.000) 3.757 24.686 ( 0.000 4.474 0.000) 4.474 24.841 ( 0.000 1.455 0.000) 1.455 25.028 ( 0.000 13.270 0.000) 13.270 25.924 ( 0.000 -7.022 0.000) 7.022 26.817 ( 0.000 9.335 0.000) 9.335 26.833 ( 0.000 1.113 0.000) 1.113 26.923 ( 0.000 -1.537 0.000) 1.537 27.595 ( 0.000 -5.093 0.000) 5.093 28.647 ( 0.000 3.434 0.000) 3.434 28.969 ( 0.000 3.455 0.000) 3.455 29.059 ( 0.000 -4.435 0.000) 4.435 30.016 ( 0.000 -18.403 0.000) 18.403 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 13.876 28.923 0.000) 32.079 1.564 ( 12.431 29.659 0.000) 32.159 2.572 ( -6.760 21.683 0.000) 22.713 2.833 ( 18.132 32.029 0.000) 36.806 2.925 ( -22.062 18.462 0.000) 28.768 3.566 ( 3.598 -10.905 0.000) 11.483 3.712 ( -4.589 -8.915 0.000) 10.026 3.795 ( 7.694 5.725 0.000) 9.590 4.130 ( 4.856 -13.607 0.000) 14.447 4.166 ( 0.084 -1.816 0.000) 1.818 4.608 ( -6.865 2.768 0.000) 7.402 4.754 ( 0.535 -1.691 0.000) 1.774 5.045 ( -3.472 -0.794 0.000) 3.562 5.176 ( -12.141 9.496 0.000) 15.413 5.319 ( 0.118 13.423 0.000) 13.424 5.360 ( 6.903 13.484 0.000) 15.148 5.763 ( 12.037 11.210 0.000) 16.449 5.817 ( -0.236 -4.141 0.000) 4.147 6.263 ( 0.206 -2.647 0.000) 2.656 6.284 ( -3.629 -0.718 0.000) 3.700 6.394 ( -4.498 3.707 0.000) 5.828 6.446 ( -0.730 10.217 0.000) 10.243 6.706 ( -4.629 -5.184 0.000) 6.950 6.833 ( -5.742 4.655 0.000) 7.392 6.944 ( -11.017 13.467 0.000) 17.400 7.029 ( 0.323 2.791 0.000) 2.809 7.488 ( -5.172 10.036 0.000) 11.290 7.627 ( -0.271 6.917 0.000) 6.922 7.835 ( 11.278 -9.300 0.000) 14.618 7.854 ( 5.647 -5.327 0.000) 7.763 8.258 ( 1.911 -3.945 0.000) 4.383 8.346 ( -6.012 -7.534 0.000) 9.639 8.486 ( -4.616 4.222 0.000) 6.255 8.656 ( -3.415 -2.005 0.000) 3.960 8.736 ( 3.825 -3.532 0.000) 5.206 8.878 ( -2.204 6.477 0.000) 6.841 9.120 ( 9.716 -7.870 0.000) 12.503 9.332 ( -1.284 2.983 0.000) 3.248 9.717 ( 12.003 2.083 0.000) 12.182 10.008 ( 1.785 -10.318 0.000) 10.471 10.100 ( 1.510 -8.830 0.000) 8.958 10.268 ( -3.302 0.141 0.000) 3.305 10.615 ( 1.699 -13.429 0.000) 13.536 10.890 ( -7.095 -5.352 0.000) 8.887 11.320 ( 8.738 9.881 0.000) 13.190 11.772 ( -5.366 4.474 0.000) 6.986 11.991 ( 2.382 -5.648 0.000) 6.130 12.219 ( -7.370 -8.081 0.000) 10.938 12.637 ( 4.280 4.856 0.000) 6.473 12.712 ( -0.776 2.332 0.000) 2.458 12.787 ( 2.267 10.124 0.000) 10.375 12.942 ( -2.607 11.288 0.000) 11.585 13.463 ( 1.808 -4.834 0.000) 5.161 13.508 ( -0.715 -3.339 0.000) 3.415 13.625 ( 4.762 -10.469 0.000) 11.501 13.728 ( 0.205 -6.381 0.000) 6.384 13.829 ( 9.733 4.713 0.000) 10.813 14.789 ( 3.749 -7.969 0.000) 8.807 14.901 ( -16.729 7.165 0.000) 18.199 15.062 ( -4.343 3.262 0.000) 5.432 15.349 ( 2.357 3.878 0.000) 4.538 15.689 ( -2.152 0.368 0.000) 2.183 15.817 ( -2.393 -3.081 0.000) 3.902 15.862 ( -1.071 -5.075 0.000) 5.187 17.614 ( -0.434 3.848 0.000) 3.872 17.622 ( -0.222 2.705 0.000) 2.714 17.967 ( 4.309 -5.679 0.000) 7.129 17.977 ( 1.796 -4.469 0.000) 4.816 23.793 ( 3.631 9.702 0.000) 10.359 24.274 ( -5.021 1.042 0.000) 5.128 24.452 ( 2.994 -2.171 0.000) 3.698 24.595 ( 0.009 -3.828 0.000) 3.828 24.700 ( 1.570 4.882 0.000) 5.128 24.836 ( -0.398 2.193 0.000) 2.229 24.976 ( -5.158 11.682 0.000) 12.770 25.468 ( -39.011 11.940 0.000) 40.797 26.337 ( -1.904 13.517 0.000) 13.651 26.755 ( -6.153 9.657 0.000) 11.451 27.639 ( 4.227 -6.203 0.000) 7.506 27.658 ( 21.739 -21.053 0.000) 30.262 28.702 ( 5.496 2.987 0.000) 6.255 28.953 ( -1.667 3.306 0.000) 3.703 29.276 ( 20.294 -13.784 0.000) 24.532 29.991 ( -2.860 -19.183 0.000) 19.395 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 16.395 20.903 0.000) 26.565 1.850 ( 13.050 20.883 0.000) 24.625 2.353 ( -9.655 20.621 0.000) 22.770 2.499 ( -20.818 21.381 0.000) 29.842 3.319 ( 26.679 18.326 0.000) 32.367 3.559 ( -2.101 -13.646 0.000) 13.807 3.654 ( 0.359 -4.042 0.000) 4.058 3.891 ( -14.232 3.922 0.000) 14.762 4.053 ( 3.871 12.938 0.000) 13.505 4.165 ( -2.514 -4.537 0.000) 5.187 4.627 ( 6.456 2.264 0.000) 6.842 4.733 ( -3.373 -0.542 0.000) 3.416 4.977 ( -2.508 1.352 0.000) 2.849 4.997 ( -5.471 6.762 0.000) 8.698 5.349 ( 3.062 10.912 0.000) 11.334 5.411 ( -1.833 8.790 0.000) 8.979 5.854 ( 3.985 -0.162 0.000) 3.989 5.906 ( 1.170 5.058 0.000) 5.192 6.233 ( -0.915 -0.152 0.000) 0.928 6.242 ( -1.585 -0.434 0.000) 1.643 6.371 ( 3.460 6.787 0.000) 7.618 6.434 ( -1.399 9.052 0.000) 9.160 6.652 ( -0.161 0.554 0.000) 0.577 6.718 ( -6.118 2.943 0.000) 6.789 6.845 ( -0.025 14.603 0.000) 14.603 6.927 ( -7.803 12.441 0.000) 14.685 7.502 ( 5.046 3.372 0.000) 6.069 7.594 ( -3.485 3.091 0.000) 4.658 7.951 ( 3.888 -7.271 0.000) 8.246 7.969 ( 2.865 -8.548 0.000) 9.015 8.220 ( -3.235 -5.056 0.000) 6.003 8.227 ( -4.633 -6.617 0.000) 8.078 8.507 ( 4.514 1.419 0.000) 4.732 8.590 ( -3.797 0.095 0.000) 3.799 8.801 ( 2.661 -5.816 0.000) 6.396 8.841 ( -1.800 0.340 0.000) 1.831 9.264 ( 5.023 -6.337 0.000) 8.087 9.316 ( -1.028 -0.977 0.000) 1.418 9.927 ( 8.993 2.003 0.000) 9.213 10.026 ( -1.132 -3.889 0.000) 4.050 10.132 ( 1.775 -9.613 0.000) 9.775 10.188 ( -4.393 -3.709 0.000) 5.749 10.669 ( 3.990 -9.595 0.000) 10.392 10.764 ( -5.913 -5.995 0.000) 8.421 11.489 ( 8.655 9.296 0.000) 12.702 11.645 ( -7.672 8.307 0.000) 11.308 12.036 ( 2.474 -7.074 0.000) 7.494 12.100 ( -4.678 -7.263 0.000) 8.639 12.694 ( 1.619 1.254 0.000) 2.048 12.707 ( -0.099 0.175 0.000) 0.201 12.833 ( 2.648 10.023 0.000) 10.367 12.887 ( -2.991 9.839 0.000) 10.283 13.488 ( 0.820 -4.880 0.000) 4.948 13.498 ( -0.415 -4.185 0.000) 4.206 13.700 ( 2.689 -9.774 0.000) 10.137 13.727 ( -0.462 -8.198 0.000) 8.211 14.100 ( 18.181 11.087 0.000) 21.295 14.496 ( -22.651 13.014 0.000) 26.124 14.879 ( 5.292 -3.683 0.000) 6.448 14.976 ( -4.737 0.925 0.000) 4.826 15.463 ( 7.834 -0.267 0.000) 7.838 15.607 ( -6.533 -1.453 0.000) 6.692 15.790 ( 0.171 -2.948 0.000) 2.953 15.820 ( -2.563 -4.506 0.000) 5.183 17.612 ( 0.176 3.579 0.000) 3.583 17.617 ( -0.289 3.212 0.000) 3.225 18.014 ( 1.632 -6.379 0.000) 6.585 18.023 ( 1.098 -7.571 0.000) 7.650 23.908 ( 8.670 11.349 0.000) 14.282 24.111 ( -11.401 8.288 0.000) 14.096 24.519 ( 3.616 -1.779 0.000) 4.030 24.578 ( -2.140 -2.861 0.000) 3.573 24.753 ( 4.082 6.003 0.000) 7.259 24.839 ( 1.574 5.541 0.000) 5.760 24.854 ( -6.733 8.742 0.000) 11.034 24.956 ( -13.306 13.954 0.000) 19.281 26.432 ( 8.391 10.797 0.000) 13.675 26.605 ( -9.059 10.263 0.000) 13.689 27.734 ( 5.219 -9.340 0.000) 10.700 27.806 ( -0.935 -14.717 0.000) 14.746 28.816 ( 5.601 2.503 0.000) 6.135 28.903 ( -3.590 2.900 0.000) 4.614 29.661 ( 16.965 -22.325 0.000) 28.040 29.893 ( -7.982 -21.279 0.000) 22.727 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.000 32.131 0.000) 32.131 2.099 ( 0.000 30.053 0.000) 30.053 2.995 ( 0.000 13.928 0.000) 13.928 3.046 ( 0.000 -5.773 0.000) 5.773 3.136 ( 0.000 -20.646 0.000) 20.646 3.666 ( 0.000 16.880 0.000) 16.880 3.708 ( 0.000 -17.963 0.000) 17.963 3.773 ( 0.000 3.683 0.000) 3.683 3.924 ( 0.000 27.823 0.000) 27.823 4.048 ( 0.000 -1.361 0.000) 1.361 4.496 ( 0.000 -15.317 0.000) 15.317 4.681 ( 0.000 -4.996 0.000) 4.996 5.215 ( 0.000 12.600 0.000) 12.600 5.430 ( 0.000 2.075 0.000) 2.075 5.545 ( 0.000 6.042 0.000) 6.042 5.630 ( 0.000 13.854 0.000) 13.854 5.722 ( 0.000 -3.613 0.000) 3.613 5.904 ( 0.000 13.951 0.000) 13.951 6.192 ( 0.000 -3.453 0.000) 3.453 6.215 ( 0.000 -8.658 0.000) 8.658 6.493 ( 0.000 0.121 0.000) 0.121 6.503 ( 0.000 -10.102 0.000) 10.102 6.677 ( 0.000 9.131 0.000) 9.131 6.869 ( 0.000 -2.467 0.000) 2.467 7.195 ( 0.000 12.163 0.000) 12.163 7.321 ( 0.000 6.815 0.000) 6.815 7.571 ( 0.000 -3.511 0.000) 3.511 7.639 ( 0.000 -8.558 0.000) 8.558 7.794 ( 0.000 9.221 0.000) 9.221 7.821 ( 0.000 11.717 0.000) 11.717 8.125 ( 0.000 -5.850 0.000) 5.850 8.256 ( 0.000 -7.568 0.000) 7.568 8.630 ( 0.000 -3.762 0.000) 3.762 8.648 ( 0.000 -3.117 0.000) 3.117 8.731 ( 0.000 4.504 0.000) 4.504 8.864 ( 0.000 -3.834 0.000) 3.834 9.077 ( 0.000 11.914 0.000) 11.914 9.471 ( 0.000 7.559 0.000) 7.559 9.690 ( 0.000 7.433 0.000) 7.433 9.705 ( 0.000 -14.903 0.000) 14.903 9.905 ( 0.000 -8.123 0.000) 8.123 10.278 ( 0.000 -15.742 0.000) 15.742 10.363 ( 0.000 5.825 0.000) 5.825 10.762 ( 0.000 -11.609 0.000) 11.609 11.496 ( 0.000 13.800 0.000) 13.800 11.842 ( 0.000 0.385 0.000) 0.385 11.896 ( 0.000 -2.620 0.000) 2.620 12.054 ( 0.000 -13.319 0.000) 13.319 12.792 ( 0.000 5.060 0.000) 5.060 12.812 ( 0.000 12.882 0.000) 12.882 12.981 ( 0.000 6.271 0.000) 6.271 13.200 ( 0.000 8.870 0.000) 8.870 13.317 ( 0.000 -7.832 0.000) 7.832 13.329 ( 0.000 -6.512 0.000) 6.512 13.486 ( 0.000 -4.133 0.000) 4.133 13.531 ( 0.000 -10.431 0.000) 10.431 13.890 ( 0.000 12.404 0.000) 12.404 14.508 ( 0.000 -13.766 0.000) 13.766 15.107 ( 0.000 1.504 0.000) 1.504 15.126 ( 0.000 1.691 0.000) 1.691 15.498 ( 0.000 6.206 0.000) 6.206 15.731 ( 0.000 0.867 0.000) 0.867 15.759 ( 0.000 -5.748 0.000) 5.748 15.784 ( 0.000 -2.359 0.000) 2.359 17.690 ( 0.000 3.899 0.000) 3.899 17.704 ( 0.000 3.922 0.000) 3.922 17.850 ( 0.000 -3.150 0.000) 3.150 17.875 ( 0.000 -4.436 0.000) 4.436 23.958 ( 0.000 10.060 0.000) 10.060 24.326 ( 0.000 -6.610 0.000) 6.610 24.336 ( 0.000 2.456 0.000) 2.456 24.504 ( 0.000 -4.657 0.000) 4.657 24.776 ( 0.000 3.963 0.000) 3.963 24.861 ( 0.000 0.156 0.000) 0.156 25.299 ( 0.000 12.747 0.000) 12.747 25.756 ( 0.000 -9.190 0.000) 9.190 26.854 ( 0.000 0.849 0.000) 0.849 26.893 ( 0.000 -1.313 0.000) 1.313 27.037 ( 0.000 11.454 0.000) 11.454 27.461 ( 0.000 -7.956 0.000) 7.956 28.732 ( 0.000 4.779 0.000) 4.779 28.955 ( 0.000 -5.478 0.000) 5.478 29.081 ( 0.000 7.810 0.000) 7.810 29.630 ( 0.000 -18.106 0.000) 18.106 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 7.793 29.888 0.000) 30.887 2.164 ( 6.694 28.064 0.000) 28.852 2.924 ( -6.801 17.162 0.000) 18.461 3.105 ( 5.144 -11.712 0.000) 12.792 3.131 ( -1.775 -12.948 0.000) 13.070 3.373 ( -17.481 8.280 0.000) 19.343 3.659 ( -2.409 -10.613 0.000) 10.884 3.838 ( -1.699 -4.499 0.000) 4.809 4.060 ( 11.264 20.985 0.000) 23.817 4.194 ( 11.492 5.192 0.000) 12.610 4.525 ( 3.451 -9.085 0.000) 9.719 4.699 ( 1.278 -4.229 0.000) 4.418 5.183 ( -2.835 13.430 0.000) 13.726 5.329 ( -8.238 6.202 0.000) 10.311 5.541 ( -0.357 5.356 0.000) 5.368 5.628 ( -1.947 3.689 0.000) 4.171 5.765 ( 5.584 5.226 0.000) 7.649 5.982 ( 4.808 8.938 0.000) 10.149 6.202 ( 0.593 -3.358 0.000) 3.410 6.209 ( -0.819 -6.578 0.000) 6.629 6.429 ( -1.335 -0.508 0.000) 1.428 6.561 ( 2.502 -5.264 0.000) 5.828 6.646 ( -2.685 8.369 0.000) 8.790 6.838 ( -3.499 -2.443 0.000) 4.267 7.201 ( 0.313 11.686 0.000) 11.690 7.218 ( -6.454 12.139 0.000) 13.748 7.626 ( -2.147 -2.553 0.000) 3.336 7.643 ( 3.347 -8.009 0.000) 8.680 7.774 ( -0.078 3.430 0.000) 3.431 7.817 ( -0.029 9.106 0.000) 9.106 8.130 ( -0.847 -8.069 0.000) 8.114 8.192 ( -5.803 -7.607 0.000) 9.568 8.594 ( -6.554 6.100 0.000) 8.953 8.597 ( -1.273 -2.062 0.000) 2.423 8.676 ( 0.974 -3.255 0.000) 3.398 8.882 ( -4.018 -7.000 0.000) 8.071 9.156 ( 8.318 12.048 0.000) 14.640 9.454 ( -1.512 8.271 0.000) 8.409 9.757 ( 4.416 -13.900 0.000) 14.585 9.803 ( 10.197 4.517 0.000) 11.152 9.903 ( -0.233 -7.954 0.000) 7.958 10.321 ( 4.400 -14.592 0.000) 15.241 10.331 ( -3.592 5.770 0.000) 6.797 10.710 ( -5.118 -10.560 0.000) 11.735 11.550 ( 5.125 11.430 0.000) 12.526 11.827 ( -1.795 1.345 0.000) 2.243 11.900 ( 0.416 -3.263 0.000) 3.289 12.013 ( -3.622 -11.049 0.000) 11.627 12.782 ( -0.708 5.800 0.000) 5.843 12.806 ( -0.620 10.955 0.000) 10.972 12.995 ( 1.286 6.201 0.000) 6.333 13.142 ( -4.292 6.695 0.000) 7.953 13.342 ( 1.076 -7.089 0.000) 7.170 13.343 ( 1.439 -6.360 0.000) 6.521 13.497 ( 1.077 -5.113 0.000) 5.225 13.533 ( 0.139 -10.196 0.000) 10.197 14.026 ( 13.349 12.802 0.000) 18.496 14.585 ( 7.675 -11.711 0.000) 14.002 15.013 ( -9.700 4.230 0.000) 10.582 15.100 ( -4.335 0.394 0.000) 4.353 15.462 ( -1.355 6.507 0.000) 6.646 15.697 ( -3.565 0.587 0.000) 3.613 15.743 ( -1.636 -6.364 0.000) 6.571 15.761 ( -2.090 -2.399 0.000) 3.182 17.692 ( 0.142 3.991 0.000) 3.994 17.699 ( -0.344 4.193 0.000) 4.207 17.868 ( 1.507 -4.269 0.000) 4.527 17.881 ( 0.576 -4.791 0.000) 4.826 24.000 ( 4.382 10.088 0.000) 10.999 24.317 ( -2.178 3.201 0.000) 3.872 24.361 ( 3.335 -6.444 0.000) 7.256 24.503 ( -0.242 -4.896 0.000) 4.902 24.796 ( 2.241 4.150 0.000) 4.717 24.872 ( 1.442 0.839 0.000) 1.669 25.209 ( -8.499 10.618 0.000) 13.601 25.524 ( -20.895 -3.160 0.000) 21.133 26.645 ( -1.584 15.090 0.000) 15.173 26.989 ( -4.818 12.515 0.000) 13.410 27.271 ( 16.415 -16.752 0.000) 23.453 27.476 ( 1.308 -9.599 0.000) 9.687 28.786 ( 5.152 5.022 0.000) 7.195 29.060 ( 10.209 -8.435 0.000) 13.243 29.062 ( -2.102 7.535 0.000) 7.823 29.597 ( -3.548 -18.055 0.000) 18.400 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 9.050 24.552 0.000) 26.167 2.308 ( 5.333 22.914 0.000) 23.526 2.802 ( -2.596 22.706 0.000) 22.853 2.940 ( -14.768 20.350 0.000) 25.144 3.190 ( 2.926 -17.598 0.000) 17.840 3.218 ( -1.047 -18.215 0.000) 18.245 3.663 ( 3.030 -12.405 0.000) 12.770 3.755 ( -5.689 -14.066 0.000) 15.173 4.275 ( 9.505 18.216 0.000) 20.547 4.348 ( 2.826 12.102 0.000) 12.427 4.621 ( 5.584 -3.295 0.000) 6.484 4.698 ( -2.022 -2.921 0.000) 3.553 5.136 ( -0.922 14.214 0.000) 14.243 5.184 ( -5.882 11.118 0.000) 12.578 5.542 ( 0.735 4.100 0.000) 4.166 5.575 ( -2.713 1.979 0.000) 3.358 5.891 ( 6.451 5.937 0.000) 8.767 5.991 ( -3.552 4.252 0.000) 5.541 6.192 ( -0.393 -3.787 0.000) 3.807 6.199 ( -0.708 -3.173 0.000) 3.251 6.500 ( 7.169 4.471 0.000) 8.449 6.594 ( -2.878 5.899 0.000) 6.563 6.609 ( 3.492 -2.812 0.000) 4.484 6.729 ( -7.601 -1.625 0.000) 7.773 7.154 ( -0.055 14.417 0.000) 14.417 7.186 ( -2.094 12.702 0.000) 12.873 7.595 ( 0.503 1.800 0.000) 1.869 7.639 ( -2.771 -3.141 0.000) 4.189 7.802 ( 1.991 -3.846 0.000) 4.331 7.824 ( 0.010 -1.256 0.000) 1.256 8.084 ( -2.450 -8.029 0.000) 8.394 8.090 ( -3.487 -7.018 0.000) 7.836 8.554 ( 1.331 3.518 0.000) 3.761 8.585 ( -0.858 0.237 0.000) 0.890 8.693 ( 1.905 -4.356 0.000) 4.754 8.772 ( -5.925 -5.959 0.000) 8.404 9.311 ( 6.912 9.171 0.000) 11.484 9.409 ( -3.521 8.507 0.000) 9.207 9.837 ( 3.476 -12.578 0.000) 13.050 9.884 ( -1.488 -11.641 0.000) 11.736 10.025 ( 11.592 5.472 0.000) 12.818 10.219 ( -8.248 5.378 0.000) 9.846 10.437 ( 7.427 -12.112 0.000) 14.208 10.585 ( -7.631 -10.276 0.000) 12.800 11.664 ( 6.256 7.389 0.000) 9.681 11.768 ( -4.376 3.898 0.000) 5.860 11.913 ( 1.038 -4.780 0.000) 4.892 11.947 ( -2.753 -7.293 0.000) 7.796 12.777 ( 0.275 6.805 0.000) 6.811 12.790 ( -0.928 8.220 0.000) 8.272 13.025 ( 1.836 6.131 0.000) 6.400 13.070 ( -3.052 6.082 0.000) 6.805 13.358 ( 0.449 -7.104 0.000) 7.118 13.359 ( 0.335 -6.549 0.000) 6.558 13.520 ( 1.117 -7.536 0.000) 7.619 13.533 ( -0.227 -9.385 0.000) 9.388 14.351 ( 19.558 12.440 0.000) 23.179 14.728 ( -18.934 9.535 0.000) 21.200 14.771 ( 10.958 -6.953 0.000) 12.977 14.968 ( -9.070 -1.979 0.000) 9.284 15.497 ( 4.541 3.461 0.000) 5.710 15.603 ( -5.861 1.123 0.000) 5.968 15.714 ( -0.856 -5.709 0.000) 5.773 15.722 ( -1.560 -3.586 0.000) 3.911 17.694 ( 0.078 4.184 0.000) 4.185 17.695 ( -0.045 4.321 0.000) 4.321 17.891 ( 0.631 -5.495 0.000) 5.531 17.892 ( 0.411 -5.454 0.000) 5.470 24.115 ( 7.215 9.062 0.000) 11.584 24.245 ( -5.611 5.832 0.000) 8.093 24.434 ( 3.748 -5.955 0.000) 7.036 24.487 ( -1.692 -5.409 0.000) 5.668 24.870 ( 5.851 5.020 0.000) 7.709 24.937 ( 6.186 2.816 0.000) 6.797 25.023 ( -9.842 7.260 0.000) 12.230 25.143 ( -16.144 3.739 0.000) 16.571 26.721 ( 7.195 16.520 0.000) 18.019 26.868 ( -7.503 14.748 0.000) 16.547 27.462 ( 4.710 -17.985 0.000) 18.591 27.495 ( 0.282 -13.624 0.000) 13.627 28.899 ( 6.085 5.678 0.000) 8.323 29.000 ( -4.338 6.735 0.000) 8.011 29.290 ( 12.330 -14.224 0.000) 18.825 29.488 ( -8.091 -17.336 0.000) 19.131 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 0.000 -28.157 0.000) 28.157 2.625 ( 0.000 28.157 0.000) 28.157 2.666 ( 0.000 -24.520 0.000) 24.520 2.666 ( 0.000 24.520 0.000) 24.520 3.337 ( 0.000 -17.602 0.000) 17.602 3.337 ( 0.000 17.602 0.000) 17.602 3.833 ( 0.000 -0.630 0.000) 0.630 3.833 ( 0.000 0.630 0.000) 0.630 4.176 ( 0.000 -14.037 0.000) 14.037 4.176 ( 0.000 14.037 0.000) 14.037 4.464 ( 0.000 -18.472 0.000) 18.472 4.464 ( 0.000 18.472 0.000) 18.472 5.494 ( 0.000 -12.730 0.000) 12.730 5.494 ( 0.000 12.730 0.000) 12.730 5.518 ( 0.000 -5.975 0.000) 5.975 5.518 ( 0.000 5.975 0.000) 5.975 5.979 ( 0.000 -14.000 0.000) 14.000 5.979 ( 0.000 14.000 0.000) 14.000 6.102 ( 0.000 -5.874 0.000) 5.874 6.102 ( 0.000 5.874 0.000) 5.874 6.445 ( 0.000 -3.073 0.000) 3.073 6.445 ( 0.000 3.073 0.000) 3.073 6.811 ( 0.000 -3.961 0.000) 3.961 6.811 ( 0.000 3.961 0.000) 3.961 7.435 ( 0.000 -10.957 0.000) 10.957 7.435 ( 0.000 10.957 0.000) 10.957 7.460 ( 0.000 -6.645 0.000) 6.645 7.460 ( 0.000 6.645 0.000) 6.645 7.976 ( 0.000 -8.346 0.000) 8.346 7.976 ( 0.000 8.346 0.000) 8.346 8.070 ( 0.000 -11.034 0.000) 11.034 8.070 ( 0.000 11.034 0.000) 11.034 8.595 ( 0.000 -0.966 0.000) 0.966 8.595 ( 0.000 0.966 0.000) 0.966 8.797 ( 0.000 -2.822 0.000) 2.822 8.797 ( 0.000 2.822 0.000) 2.822 9.381 ( 0.000 -16.101 0.000) 16.101 9.381 ( 0.000 16.101 0.000) 16.101 9.653 ( 0.000 -9.193 0.000) 9.193 9.653 ( 0.000 9.193 0.000) 9.193 9.973 ( 0.000 -12.940 0.000) 12.940 9.973 ( 0.000 12.940 0.000) 12.940 10.532 ( 0.000 -10.158 0.000) 10.158 10.532 ( 0.000 10.158 0.000) 10.158 11.777 ( 0.000 -13.506 0.000) 13.506 11.777 ( 0.000 13.506 0.000) 13.506 11.856 ( 0.000 -1.213 0.000) 1.213 11.856 ( 0.000 1.213 0.000) 1.213 12.931 ( 0.000 -7.444 0.000) 7.444 12.931 ( 0.000 7.444 0.000) 7.444 13.090 ( 0.000 -13.423 0.000) 13.423 13.090 ( 0.000 13.423 0.000) 13.423 13.353 ( 0.000 -7.019 0.000) 7.019 13.353 ( 0.000 7.019 0.000) 7.019 13.367 ( 0.000 -6.598 0.000) 6.598 13.367 ( 0.000 6.598 0.000) 6.598 14.196 ( 0.000 -15.937 0.000) 15.937 14.196 ( 0.000 15.937 0.000) 15.937 15.134 ( 0.000 -0.740 0.000) 0.740 15.134 ( 0.000 0.740 0.000) 0.740 15.631 ( 0.000 -6.513 0.000) 6.513 15.631 ( 0.000 6.513 0.000) 6.513 15.749 ( 0.000 -1.100 0.000) 1.100 15.749 ( 0.000 1.100 0.000) 1.100 17.780 ( 0.000 -4.631 0.000) 4.631 17.780 ( 0.000 4.631 0.000) 4.631 17.781 ( 0.000 -3.534 0.000) 3.534 17.781 ( 0.000 3.534 0.000) 3.534 24.160 ( 0.000 -9.240 0.000) 9.240 24.160 ( 0.000 9.240 0.000) 9.240 24.409 ( 0.000 -4.318 0.000) 4.318 24.409 ( 0.000 4.318 0.000) 4.318 24.840 ( 0.000 -2.149 0.000) 2.149 24.840 ( 0.000 2.149 0.000) 2.149 25.546 ( 0.000 -11.126 0.000) 11.126 25.546 ( 0.000 11.126 0.000) 11.126 26.871 ( 0.000 -0.894 0.000) 0.894 26.871 ( 0.000 0.894 0.000) 0.894 27.268 ( 0.000 -10.565 0.000) 10.565 27.268 ( 0.000 10.565 0.000) 10.565 28.840 ( 0.000 -5.545 0.000) 5.545 28.840 ( 0.000 5.545 0.000) 5.545 29.300 ( 0.000 -13.457 0.000) 13.457 29.300 ( 0.000 13.457 0.000) 13.457 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 4.146 -26.754 0.000) 27.073 2.668 ( 4.146 26.754 0.000) 27.073 2.703 ( 3.575 -23.759 0.000) 24.026 2.703 ( 3.575 23.759 0.000) 24.026 3.306 ( -2.703 -19.078 0.000) 19.269 3.306 ( -2.703 19.078 0.000) 19.269 3.645 ( -14.239 -12.828 0.000) 19.165 3.645 ( -14.239 12.828 0.000) 19.165 4.338 ( 11.610 -8.222 0.000) 14.226 4.338 ( 11.610 8.222 0.000) 14.226 4.517 ( 4.639 -15.632 0.000) 16.306 4.517 ( 4.639 15.632 0.000) 16.306 5.473 ( -1.773 -12.702 0.000) 12.826 5.473 ( -1.773 12.702 0.000) 12.826 5.484 ( -2.813 -8.385 0.000) 8.845 5.484 ( -2.813 8.385 0.000) 8.845 6.013 ( 2.963 -12.182 0.000) 12.538 6.013 ( 2.963 12.182 0.000) 12.538 6.116 ( 0.621 -4.994 0.000) 5.033 6.116 ( 0.621 4.994 0.000) 5.033 6.470 ( 2.981 -4.489 0.000) 5.389 6.470 ( 2.981 4.489 0.000) 5.389 6.773 ( -3.785 -4.154 0.000) 5.620 6.773 ( -3.785 4.154 0.000) 5.620 7.444 ( 0.654 -11.343 0.000) 11.362 7.444 ( 0.654 11.343 0.000) 11.362 7.450 ( -0.949 -10.456 0.000) 10.499 7.450 ( -0.949 10.456 0.000) 10.499 7.944 ( -2.854 -9.563 0.000) 9.980 7.944 ( -2.854 9.563 0.000) 9.980 8.017 ( -4.630 -9.495 0.000) 10.564 8.017 ( -4.630 9.495 0.000) 10.564 8.606 ( 0.757 -2.723 0.000) 2.826 8.606 ( 0.757 2.723 0.000) 2.826 8.731 ( -5.242 -7.121 0.000) 8.842 8.731 ( -5.242 7.121 0.000) 8.842 9.451 ( 5.883 -15.305 0.000) 16.397 9.451 ( 5.883 15.305 0.000) 16.397 9.653 ( -0.317 -10.598 0.000) 10.603 9.653 ( -0.317 10.598 0.000) 10.603 10.036 ( 6.412 -12.412 0.000) 13.971 10.036 ( 6.412 12.412 0.000) 13.971 10.494 ( -4.075 -9.708 0.000) 10.528 10.494 ( -4.075 9.708 0.000) 10.528 11.782 ( 0.657 -11.212 0.000) 11.231 11.782 ( 0.657 11.212 0.000) 11.231 11.852 ( -0.537 -1.545 0.000) 1.636 11.852 ( -0.537 1.545 0.000) 1.636 12.939 ( 0.813 -8.291 0.000) 8.330 12.939 ( 0.813 8.291 0.000) 8.330 13.059 ( -2.844 -12.201 0.000) 12.528 13.059 ( -2.844 12.201 0.000) 12.528 13.357 ( 0.356 -6.666 0.000) 6.676 13.357 ( 0.356 6.666 0.000) 6.676 13.369 ( 0.159 -6.599 0.000) 6.601 13.369 ( 0.159 6.599 0.000) 6.601 14.314 ( 11.560 -14.207 0.000) 18.316 14.314 ( 11.560 14.207 0.000) 18.316 15.080 ( -6.122 -2.215 0.000) 6.510 15.080 ( -6.122 2.215 0.000) 6.510 15.604 ( -1.982 -7.035 0.000) 7.309 15.604 ( -1.982 7.035 0.000) 7.309 15.719 ( -2.977 -1.587 0.000) 3.373 15.719 ( -2.977 1.587 0.000) 3.373 17.783 ( 0.238 -4.684 0.000) 4.690 17.783 ( 0.238 4.684 0.000) 4.690 17.784 ( 0.242 -4.067 0.000) 4.074 17.784 ( 0.242 4.067 0.000) 4.074 24.199 ( 3.866 -8.986 0.000) 9.782 24.199 ( 3.866 8.986 0.000) 9.782 24.401 ( -0.922 -4.733 0.000) 4.822 24.401 ( -0.922 4.733 0.000) 4.822 24.861 ( 2.341 -1.971 0.000) 3.060 24.861 ( 2.341 1.971 0.000) 3.060 25.403 ( -13.039 -7.990 0.000) 15.292 25.403 ( -13.039 7.990 0.000) 15.292 26.950 ( 6.940 -14.786 0.000) 16.334 26.950 ( 6.940 14.786 0.000) 16.334 27.248 ( -2.098 -12.202 0.000) 12.381 27.248 ( -2.098 12.202 0.000) 12.381 28.906 ( 6.402 -6.631 0.000) 9.217 28.906 ( 6.402 6.631 0.000) 9.217 29.273 ( -2.877 -13.064 0.000) 13.377 29.273 ( -2.877 13.064 0.000) 13.377 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 3.966 -23.287 0.000) 23.622 2.756 ( 3.966 23.287 0.000) 23.622 2.773 ( 2.460 -21.773 0.000) 21.912 2.773 ( 2.460 21.773 0.000) 21.912 3.275 ( 0.984 -22.097 0.000) 22.119 3.275 ( 0.984 22.097 0.000) 22.119 3.391 ( -10.979 -19.992 0.000) 22.808 3.391 ( -10.979 19.992 0.000) 22.808 4.526 ( 7.103 -5.937 0.000) 9.257 4.526 ( 7.103 5.937 0.000) 9.257 4.585 ( 0.991 -9.401 0.000) 9.453 4.585 ( 0.991 9.401 0.000) 9.453 5.442 ( -1.161 -11.900 0.000) 11.956 5.442 ( -1.161 11.900 0.000) 11.956 5.443 ( -1.080 -12.806 0.000) 12.851 5.443 ( -1.080 12.806 0.000) 12.851 6.067 ( 2.446 -8.421 0.000) 8.769 6.067 ( 2.446 8.421 0.000) 8.769 6.105 ( -1.551 -5.932 0.000) 6.131 6.105 ( -1.551 5.932 0.000) 6.131 6.561 ( 6.123 -2.247 0.000) 6.523 6.561 ( 6.123 2.247 0.000) 6.523 6.679 ( -5.847 -2.925 0.000) 6.537 6.679 ( -5.847 2.925 0.000) 6.537 7.437 ( -0.073 -12.933 0.000) 12.933 7.437 ( -0.073 12.933 0.000) 12.933 7.446 ( -0.582 -12.002 0.000) 12.017 7.446 ( -0.582 12.002 0.000) 12.017 7.902 ( -0.620 -9.032 0.000) 9.053 7.902 ( -0.620 9.032 0.000) 9.053 7.932 ( -3.547 -7.901 0.000) 8.660 7.932 ( -3.547 7.901 0.000) 8.660 8.618 ( 0.729 -2.875 0.000) 2.966 8.618 ( 0.729 2.875 0.000) 2.966 8.649 ( -2.877 -5.478 0.000) 6.187 8.649 ( -2.877 5.478 0.000) 6.187 9.559 ( 4.883 -13.636 0.000) 14.484 9.559 ( 4.883 13.636 0.000) 14.484 9.628 ( -2.424 -12.141 0.000) 12.380 9.628 ( -2.424 12.141 0.000) 12.380 10.197 ( 9.750 -10.513 0.000) 14.338 10.197 ( 9.750 10.513 0.000) 14.338 10.375 ( -8.257 -9.378 0.000) 12.495 10.375 ( -8.257 9.378 0.000) 12.495 11.804 ( 1.550 -6.613 0.000) 6.792 11.804 ( 1.550 6.613 0.000) 6.792 11.834 ( -1.355 -3.114 0.000) 3.396 11.834 ( -1.355 3.114 0.000) 3.396 12.962 ( 1.641 -9.593 0.000) 9.732 12.962 ( 1.641 9.593 0.000) 9.732 13.003 ( -2.665 -10.669 0.000) 10.997 13.003 ( -2.665 10.669 0.000) 10.997 13.365 ( 0.404 -6.546 0.000) 6.559 13.365 ( 0.404 6.546 0.000) 6.559 13.370 ( -0.100 -6.611 0.000) 6.612 13.370 ( -0.100 6.611 0.000) 6.612 14.591 ( 16.278 -10.458 0.000) 19.349 14.591 ( 16.278 10.458 0.000) 19.349 14.888 ( -13.789 -5.868 0.000) 14.986 14.888 ( -13.789 5.868 0.000) 14.986 15.594 ( 1.427 -5.607 0.000) 5.786 15.594 ( 1.427 5.607 0.000) 5.786 15.649 ( -3.840 -3.155 0.000) 4.970 15.649 ( -3.840 3.155 0.000) 4.970 17.787 ( 0.171 -4.776 0.000) 4.779 17.787 ( 0.171 4.776 0.000) 4.779 17.788 ( 0.116 -4.667 0.000) 4.668 17.788 ( 0.116 4.667 0.000) 4.668 24.289 ( 4.985 -7.842 0.000) 9.292 24.289 ( 4.985 7.842 0.000) 9.292 24.367 ( -2.898 -6.014 0.000) 6.675 24.367 ( -2.898 6.014 0.000) 6.675 24.945 ( 6.988 -1.879 0.000) 7.237 24.945 ( 6.988 1.879 0.000) 7.237 25.138 ( -13.060 -3.454 0.000) 13.509 25.138 ( -13.060 3.454 0.000) 13.509 27.085 ( 6.525 -18.295 0.000) 19.423 27.085 ( 6.525 18.295 0.000) 19.423 27.188 ( -4.284 -15.745 0.000) 16.317 27.188 ( -4.284 15.745 0.000) 16.317 29.052 ( 8.069 -9.237 0.000) 12.265 29.052 ( 8.069 9.237 0.000) 12.265 29.189 ( -5.952 -11.705 0.000) 13.131 29.189 ( -5.952 11.705 0.000) 13.131 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.000 0.000 31.901) 31.901 0.770 ( 0.000 0.000 36.537) 36.537 1.337 ( 0.000 0.000 62.226) 62.226 2.653 ( 0.000 0.000 9.035) 9.035 2.680 ( 0.000 0.000 5.160) 5.160 3.230 ( 0.000 0.000 1.325) 1.325 3.965 ( 0.000 0.000 -6.786) 6.786 3.970 ( 0.000 0.000 -2.542) 2.542 4.437 ( 0.000 0.000 3.105) 3.105 4.491 ( 0.000 0.000 -3.872) 3.872 4.505 ( 0.000 0.000 -11.816) 11.816 4.609 ( 0.000 0.000 -2.148) 2.148 4.765 ( 0.000 0.000 5.591) 5.591 4.974 ( 0.000 0.000 1.783) 1.783 4.978 ( 0.000 0.000 -7.277) 7.277 5.310 ( 0.000 0.000 26.311) 26.311 5.325 ( 0.000 0.000 -0.258) 0.258 5.929 ( 0.000 0.000 0.851) 0.851 6.143 ( 0.000 0.000 -2.376) 2.376 6.255 ( 0.000 0.000 1.576) 1.576 6.259 ( 0.000 0.000 2.033) 2.033 6.336 ( 0.000 0.000 1.085) 1.085 6.472 ( 0.000 0.000 9.264) 9.264 6.859 ( 0.000 0.000 -13.044) 13.044 6.882 ( 0.000 0.000 -6.489) 6.489 7.011 ( 0.000 0.000 -1.489) 1.489 7.162 ( 0.000 0.000 0.487) 0.487 7.418 ( 0.000 0.000 1.547) 1.547 7.601 ( 0.000 0.000 0.469) 0.469 7.957 ( 0.000 0.000 -2.948) 2.948 8.286 ( 0.000 0.000 3.370) 3.370 8.504 ( 0.000 0.000 -9.291) 9.291 8.562 ( 0.000 0.000 -7.442) 7.442 8.579 ( 0.000 0.000 -1.349) 1.349 8.657 ( 0.000 0.000 -2.456) 2.456 9.007 ( 0.000 0.000 -6.574) 6.574 9.149 ( 0.000 0.000 -8.666) 8.666 9.430 ( 0.000 0.000 7.257) 7.257 9.585 ( 0.000 0.000 6.584) 6.584 10.084 ( 0.000 0.000 -0.621) 0.621 10.278 ( 0.000 0.000 -7.098) 7.098 10.298 ( 0.000 0.000 -14.289) 14.289 10.636 ( 0.000 0.000 -0.433) 0.433 10.739 ( 0.000 0.000 -0.568) 0.568 10.972 ( 0.000 0.000 -3.611) 3.611 11.952 ( 0.000 0.000 -12.649) 12.649 12.231 ( 0.000 0.000 9.917) 9.917 12.235 ( 0.000 0.000 -1.863) 1.863 12.464 ( 0.000 0.000 9.988) 9.988 12.802 ( 0.000 0.000 14.675) 14.675 12.890 ( 0.000 0.000 8.253) 8.253 13.236 ( 0.000 0.000 -15.422) 15.422 13.257 ( 0.000 0.000 -2.782) 2.782 13.624 ( 0.000 0.000 1.612) 1.612 13.635 ( 0.000 0.000 -7.772) 7.772 13.894 ( 0.000 0.000 -2.545) 2.545 13.932 ( 0.000 0.000 1.969) 1.969 14.700 ( 0.000 0.000 -3.204) 3.204 14.945 ( 0.000 0.000 3.938) 3.938 15.012 ( 0.000 0.000 4.816) 4.816 15.267 ( 0.000 0.000 2.359) 2.359 15.919 ( 0.000 0.000 -2.705) 2.705 15.946 ( 0.000 0.000 0.026) 0.026 15.950 ( 0.000 0.000 -2.242) 2.242 17.462 ( 0.000 0.000 -6.048) 6.048 17.843 ( 0.000 0.000 -9.110) 9.110 18.089 ( 0.000 0.000 1.932) 1.932 18.539 ( 0.000 0.000 -0.232) 0.232 23.414 ( 0.000 0.000 1.812) 1.812 23.589 ( 0.000 0.000 2.754) 2.754 24.374 ( 0.000 0.000 -3.429) 3.429 24.498 ( 0.000 0.000 2.034) 2.034 24.571 ( 0.000 0.000 -2.047) 2.047 24.580 ( 0.000 0.000 0.176) 0.176 24.706 ( 0.000 0.000 2.784) 2.784 24.824 ( 0.000 0.000 1.187) 1.187 26.130 ( 0.000 0.000 4.366) 4.366 26.647 ( 0.000 0.000 2.634) 2.634 26.983 ( 0.000 0.000 1.852) 1.852 28.610 ( 0.000 0.000 2.942) 2.942 28.952 ( 0.000 0.000 3.703) 3.703 29.244 ( 0.000 0.000 7.756) 7.756 29.297 ( 0.000 0.000 -6.716) 6.716 31.130 ( 0.000 0.000 -7.462) 7.462 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 24.711 0.000 21.848) 32.984 1.083 ( 24.869 0.000 27.520) 37.092 1.698 ( 31.481 0.000 43.005) 53.296 2.441 ( -20.398 0.000 6.067) 21.282 2.562 ( -6.218 0.000 11.770) 13.311 3.424 ( 15.600 0.000 0.655) 15.614 3.886 ( -4.421 0.000 -4.620) 6.394 3.973 ( -2.062 0.000 -2.744) 3.432 4.159 ( -20.948 0.000 -2.146) 21.058 4.343 ( -13.041 0.000 -3.797) 13.582 4.630 ( 1.564 0.000 -1.191) 1.965 4.646 ( 5.340 0.000 -2.751) 6.007 4.831 ( 3.390 0.000 4.199) 5.396 4.832 ( -5.376 0.000 -0.650) 5.415 5.206 ( 12.939 0.000 -5.637) 14.114 5.337 ( 6.099 0.000 20.859) 21.732 5.404 ( 7.177 0.000 -0.684) 7.209 5.946 ( 1.772 0.000 0.850) 1.965 6.135 ( -1.003 0.000 -2.640) 2.824 6.146 ( -9.497 0.000 10.709) 14.314 6.231 ( -2.418 0.000 1.543) 2.869 6.309 ( -2.870 0.000 1.022) 3.047 6.446 ( 1.702 0.000 7.782) 7.966 6.662 ( -9.893 0.000 -6.138) 11.642 6.803 ( -9.403 0.000 -6.376) 11.361 6.979 ( -16.088 0.000 2.430) 16.271 7.202 ( 12.930 0.000 -5.649) 14.110 7.475 ( 4.044 0.000 -1.410) 4.283 7.867 ( 15.264 0.000 -7.084) 16.827 8.028 ( 5.574 0.000 -7.101) 9.028 8.300 ( 1.595 0.000 3.584) 3.923 8.452 ( -2.120 0.000 -9.629) 9.859 8.478 ( -5.057 0.000 -0.986) 5.152 8.599 ( -5.693 0.000 -1.126) 5.803 8.644 ( 3.654 0.000 -6.492) 7.450 8.986 ( -5.804 0.000 -5.786) 8.195 9.340 ( 15.476 0.000 -6.780) 16.896 9.588 ( 10.149 0.000 -4.107) 10.948 9.732 ( 12.564 0.000 -3.314) 12.994 10.114 ( 2.970 0.000 -1.806) 3.476 10.234 ( -6.232 0.000 -11.285) 12.892 10.271 ( -0.826 0.000 -6.973) 7.022 10.638 ( 0.320 0.000 -0.084) 0.331 10.724 ( -1.468 0.000 -0.236) 1.487 11.036 ( 6.261 0.000 -7.418) 9.707 11.706 ( -17.661 0.000 -2.280) 17.808 12.252 ( 2.123 0.000 9.669) 9.900 12.371 ( 8.825 0.000 -7.079) 11.314 12.439 ( -2.474 0.000 9.625) 9.937 12.743 ( -5.370 0.000 7.993) 9.629 12.892 ( 0.869 0.000 10.182) 10.219 13.140 ( -6.912 0.000 9.623) 11.848 13.271 ( 3.550 0.000 -14.535) 14.962 13.560 ( -4.206 0.000 -6.466) 7.714 13.691 ( 3.460 0.000 -0.224) 3.467 13.907 ( -2.538 0.000 2.098) 3.293 13.957 ( 4.374 0.000 0.771) 4.442 14.500 ( -17.086 0.000 7.507) 18.662 14.954 ( 0.911 0.000 4.010) 4.113 15.008 ( -0.434 0.000 4.723) 4.743 15.304 ( 6.961 0.000 -0.737) 7.000 15.775 ( -5.739 0.000 4.064) 7.032 15.898 ( -1.914 0.000 -1.814) 2.637 16.003 ( -2.041 0.000 -1.554) 2.565 17.456 ( -0.197 0.000 -5.914) 5.918 17.648 ( -10.587 0.000 0.033) 10.587 18.119 ( 3.791 0.000 1.784) 4.189 18.443 ( -5.642 0.000 0.138) 5.644 23.428 ( 1.468 0.000 1.858) 2.368 23.569 ( -1.982 0.000 2.593) 3.264 24.396 ( 2.182 0.000 -3.225) 3.894 24.548 ( 2.209 0.000 0.088) 2.211 24.554 ( -1.696 0.000 -2.135) 2.726 24.580 ( -0.065 0.000 0.288) 0.295 24.711 ( 1.016 0.000 2.370) 2.579 24.814 ( -1.104 0.000 1.244) 1.663 26.170 ( 4.531 0.000 4.212) 6.186 26.610 ( -5.780 0.000 4.660) 7.424 27.377 ( 26.707 0.000 -15.210) 30.734 28.492 ( -15.955 0.000 4.056) 16.462 28.819 ( -4.259 0.000 9.082) 10.031 28.951 ( -1.667 0.000 4.930) 5.204 29.922 ( 26.776 0.000 -16.154) 31.271 30.897 ( -17.187 0.000 2.352) 17.348 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 28.535 0.000 13.063) 31.383 1.571 ( 25.098 0.000 21.032) 32.745 1.965 ( -11.890 0.000 18.211) 21.749 1.991 ( -26.126 0.000 8.558) 27.492 2.806 ( 36.799 0.000 18.373) 41.131 3.560 ( -36.398 0.000 5.826) 36.861 3.739 ( 16.875 0.000 -0.803) 16.894 3.873 ( 0.076 0.000 -1.502) 1.504 3.922 ( -4.195 0.000 -0.684) 4.251 4.056 ( -16.307 0.000 -2.412) 16.484 4.673 ( 3.093 0.000 -0.602) 3.151 4.742 ( 5.219 0.000 -1.101) 5.334 4.744 ( -4.185 0.000 -0.405) 4.204 4.828 ( -3.078 0.000 0.797) 3.180 5.434 ( 9.819 0.000 -6.024) 11.519 5.517 ( 2.076 0.000 -3.327) 3.922 5.579 ( 17.301 0.000 13.232) 21.781 5.911 ( -15.758 0.000 10.554) 18.966 5.999 ( 3.923 0.000 0.967) 4.040 6.087 ( -4.375 0.000 -0.698) 4.430 6.189 ( -0.538 0.000 -0.307) 0.619 6.233 ( -4.440 0.000 0.081) 4.440 6.522 ( 5.992 0.000 6.668) 8.964 6.558 ( -0.539 0.000 -3.522) 3.563 6.629 ( -7.364 0.000 -3.579) 8.188 6.689 ( -12.267 0.000 5.608) 13.488 7.415 ( 8.692 0.000 -6.748) 11.004 7.511 ( -1.175 0.000 -5.104) 5.237 8.072 ( 6.189 0.000 -4.298) 7.535 8.105 ( 1.999 0.000 -6.146) 6.463 8.355 ( 4.464 0.000 3.522) 5.686 8.384 ( -0.865 0.000 -8.988) 9.029 8.432 ( -3.544 0.000 -4.562) 5.776 8.469 ( -7.130 0.000 1.681) 7.325 8.741 ( 6.725 0.000 -5.283) 8.552 8.870 ( -6.406 0.000 -5.466) 8.421 9.588 ( 10.690 0.000 -8.458) 13.632 9.711 ( -0.122 0.000 -11.461) 11.462 9.921 ( 8.659 0.000 1.186) 8.739 10.088 ( -8.510 0.000 -4.141) 9.464 10.181 ( 3.650 0.000 -4.239) 5.594 10.241 ( -2.406 0.000 -6.186) 6.638 10.654 ( 1.383 0.000 0.447) 1.454 10.688 ( -2.062 0.000 0.350) 2.092 11.189 ( 9.577 0.000 -8.802) 13.008 11.404 ( -13.441 0.000 -3.816) 13.972 12.307 ( 3.503 0.000 9.233) 9.876 12.378 ( -3.699 0.000 9.163) 9.881 12.522 ( 6.912 0.000 -5.506) 8.837 12.637 ( -5.555 0.000 -0.474) 5.575 12.939 ( 4.046 0.000 12.637) 13.269 13.032 ( -5.265 0.000 13.847) 14.814 13.360 ( 5.473 0.000 -12.480) 13.628 13.467 ( -5.465 0.000 -9.853) 11.268 13.764 ( 4.110 0.000 1.695) 4.446 13.842 ( -3.970 0.000 2.212) 4.545 14.048 ( 5.921 0.000 4.518) 7.448 14.211 ( -11.890 0.000 6.881) 13.737 14.975 ( 1.184 0.000 4.214) 4.377 14.996 ( -0.896 0.000 4.488) 4.577 15.493 ( 11.001 0.000 -2.881) 11.373 15.673 ( -7.078 0.000 -0.553) 7.100 15.880 ( 0.987 0.000 0.224) 1.012 15.934 ( -4.069 0.000 -0.145) 4.071 17.469 ( 1.664 0.000 -5.478) 5.725 17.521 ( -4.029 0.000 -3.362) 5.248 18.217 ( 6.065 0.000 0.194) 6.068 18.335 ( -6.019 0.000 -0.795) 6.071 23.468 ( 2.560 0.000 2.008) 3.254 23.521 ( -2.863 0.000 2.273) 3.656 24.449 ( 3.200 0.000 -2.794) 4.248 24.509 ( -2.915 0.000 -2.393) 3.771 24.569 ( 0.515 0.000 0.830) 0.977 24.576 ( -0.296 0.000 0.743) 0.800 24.744 ( 2.134 0.000 1.587) 2.660 24.784 ( -1.949 0.000 1.346) 2.369 26.294 ( 8.091 0.000 4.383) 9.202 26.461 ( -8.986 0.000 4.857) 10.214 27.805 ( 19.343 0.000 -8.241) 21.025 28.152 ( -17.884 0.000 0.282) 17.886 28.849 ( 3.543 0.000 5.331) 6.401 28.911 ( -2.734 0.000 4.644) 5.389 30.312 ( 16.238 0.000 -9.196) 18.661 30.596 ( -14.602 0.000 -0.655) 14.616 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.000 22.675 24.968) 33.727 1.122 ( 0.000 24.960 27.489) 37.130 1.754 ( 0.000 40.926 38.943) 56.493 2.667 ( 0.000 3.869 7.999) 8.886 2.880 ( 0.000 17.010 4.830) 17.682 3.317 ( 0.000 7.236 1.787) 7.454 3.849 ( 0.000 -8.610 -7.229) 11.242 3.895 ( 0.000 -6.749 -1.804) 6.986 4.325 ( 0.000 -5.579 3.825) 6.764 4.379 ( 0.000 -9.552 0.610) 9.572 4.520 ( 0.000 1.268 -11.141) 11.213 4.843 ( 0.000 5.876 2.848) 6.530 4.869 ( 0.000 17.347 -0.651) 17.359 5.050 ( 0.000 5.536 -5.975) 8.146 5.189 ( 0.000 9.831 -7.150) 12.156 5.240 ( 0.000 -5.076 6.012) 7.868 5.401 ( 0.000 7.610 16.121) 17.827 5.998 ( 0.000 -2.488 6.972) 7.403 6.230 ( 0.000 7.507 -1.400) 7.636 6.272 ( 0.000 1.143 -4.503) 4.646 6.311 ( 0.000 4.767 0.976) 4.866 6.384 ( 0.000 3.571 1.176) 3.760 6.639 ( 0.000 12.992 -9.334) 15.998 6.860 ( 0.000 -0.720 -2.634) 2.731 6.878 ( 0.000 2.232 -9.863) 10.113 6.885 ( 0.000 -7.569 -6.201) 9.785 7.354 ( 0.000 12.336 1.499) 12.427 7.481 ( 0.000 4.511 -2.604) 5.209 7.603 ( 0.000 0.416 0.210) 0.466 7.935 ( 0.000 -1.799 -0.344) 1.832 8.390 ( 0.000 8.161 2.552) 8.550 8.461 ( 0.000 -3.739 -7.477) 8.360 8.496 ( 0.000 -5.844 1.417) 6.013 8.606 ( 0.000 2.752 -2.656) 3.825 8.679 ( 0.000 1.324 -2.340) 2.688 8.971 ( 0.000 -9.071 -1.025) 9.129 8.982 ( 0.000 -2.193 -5.937) 6.329 9.387 ( 0.000 -3.546 4.264) 5.546 9.578 ( 0.000 -0.339 5.425) 5.436 10.134 ( 0.000 -0.447 -5.094) 5.114 10.152 ( 0.000 -8.914 -9.782) 13.234 10.240 ( 0.000 -4.061 -6.265) 7.466 10.780 ( 0.000 2.947 -4.599) 5.462 10.880 ( 0.000 8.443 -9.382) 12.622 10.946 ( 0.000 3.770 -0.730) 3.840 11.776 ( 0.000 -12.539 -9.526) 15.747 11.985 ( 0.000 -9.832 -2.898) 10.250 12.461 ( 0.000 9.852 7.186) 12.194 12.628 ( 0.000 12.263 11.552) 16.848 12.738 ( 0.000 -22.151 4.307) 22.566 12.851 ( 0.000 -2.952 7.466) 8.029 12.857 ( 0.000 6.141 11.828) 13.327 13.351 ( 0.000 2.564 -6.297) 6.799 13.617 ( 0.000 -1.729 -7.659) 7.851 13.660 ( 0.000 -2.072 4.335) 4.805 13.806 ( 0.000 -7.203 -0.704) 7.237 13.864 ( 0.000 -3.847 0.776) 3.924 14.842 ( 0.000 2.786 -4.800) 5.549 14.995 ( 0.000 4.181 3.154) 5.237 15.077 ( 0.000 5.234 1.287) 5.389 15.298 ( 0.000 3.285 1.690) 3.694 15.805 ( 0.000 -8.616 4.668) 9.799 15.890 ( 0.000 -2.670 -2.618) 3.739 15.924 ( 0.000 -2.110 -0.010) 2.110 17.492 ( 0.000 2.750 -5.776) 6.397 17.828 ( 0.000 -1.352 -8.900) 9.002 17.901 ( 0.000 -24.147 18.537) 30.442 18.063 ( 0.000 -2.390 1.627) 2.891 23.635 ( 0.000 5.114 2.017) 5.497 24.376 ( 0.000 -3.390 -0.541) 3.433 24.415 ( 0.000 0.864 -1.001) 1.322 24.609 ( 0.000 4.287 0.058) 4.288 24.677 ( 0.000 0.732 -0.089) 0.738 24.754 ( 0.000 11.343 -0.974) 11.385 24.825 ( 0.000 0.481 0.731) 0.875 24.834 ( 0.000 64.368 -61.614) 89.104 26.136 ( 0.000 1.440 3.597) 3.874 26.690 ( 0.000 4.112 1.878) 4.520 26.971 ( 0.000 -0.963 1.928) 2.155 28.593 ( 0.000 -4.666 3.572) 5.876 28.888 ( 0.000 -26.813 20.263) 33.608 28.962 ( 0.000 1.089 3.755) 3.909 29.215 ( 0.000 -2.678 7.562) 8.023 30.593 ( 0.000 -29.447 12.457) 31.974 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 17.858 20.520 20.656) 34.156 1.313 ( 17.461 18.158 25.864) 36.105 2.041 ( 22.429 31.525 26.592) 46.947 2.605 ( -7.638 8.217 10.009) 15.034 2.630 ( -14.849 14.059 8.074) 21.985 3.527 ( 15.967 8.555 0.908) 18.137 3.802 ( -2.803 -7.364 -4.262) 8.958 3.897 ( -1.944 -6.610 -2.055) 7.189 4.153 ( -16.050 0.241 -2.964) 16.323 4.333 ( -7.123 -4.356 -2.528) 8.724 4.547 ( 2.584 -1.431 -0.623) 3.018 4.785 ( -1.383 4.487 0.823) 4.767 4.906 ( -0.757 9.436 -0.651) 9.488 4.989 ( -5.435 11.818 -1.834) 13.136 5.165 ( 2.013 0.446 5.232) 5.623 5.314 ( 6.462 -4.044 2.693) 8.084 5.546 ( 12.050 10.992 4.568) 16.938 5.990 ( -1.314 -2.971 7.444) 8.122 6.197 ( -4.829 6.380 -3.014) 8.550 6.240 ( -2.668 6.046 -2.055) 6.921 6.282 ( -1.903 5.078 0.987) 5.512 6.350 ( -3.533 3.556 2.033) 5.409 6.519 ( -2.933 9.737 3.453) 10.740 6.682 ( -8.562 1.313 -4.849) 9.927 6.801 ( -7.478 -0.144 -5.587) 9.336 6.961 ( -4.740 -1.052 -3.798) 6.164 7.309 ( 0.917 9.376 0.023) 9.421 7.502 ( 2.152 2.743 -2.128) 4.085 7.819 ( 14.271 -4.206 -6.675) 16.307 7.999 ( 5.063 -2.316 -3.312) 6.478 8.342 ( -4.210 1.264 -0.295) 4.406 8.430 ( -1.888 -0.696 -3.763) 4.268 8.460 ( -2.052 -1.777 0.795) 2.828 8.624 ( -4.296 1.520 -1.720) 4.871 8.661 ( 2.739 2.596 -6.137) 7.204 8.937 ( -2.993 -5.370 -2.015) 6.469 9.175 ( 14.473 -9.495 -6.291) 18.417 9.452 ( 5.293 -8.648 2.472) 10.436 9.715 ( 11.310 -0.747 1.270) 11.406 10.110 ( -3.324 -5.331 -7.601) 9.861 10.168 ( 2.229 -1.896 -6.041) 6.713 10.240 ( -0.028 -4.303 -5.733) 7.169 10.764 ( -1.452 1.953 -3.796) 4.509 10.802 ( -4.493 6.347 -2.953) 8.318 11.051 ( 7.471 4.846 -8.508) 12.316 11.611 ( -12.173 -5.842 -6.836) 15.134 12.087 ( 6.635 -10.926 -2.738) 13.073 12.402 ( -5.162 -0.081 7.471) 9.081 12.599 ( -0.143 9.297 5.778) 10.947 12.748 ( -2.748 1.155 4.334) 5.260 12.870 ( 4.345 -8.100 8.727) 12.675 12.896 ( 1.896 0.537 12.220) 12.378 13.364 ( 1.727 3.510 -7.235) 8.225 13.577 ( -3.758 -0.785 -4.818) 6.160 13.685 ( 3.610 -1.966 -0.780) 4.184 13.847 ( 0.000 -5.267 0.825) 5.331 13.908 ( 6.236 -3.595 1.714) 7.400 14.686 ( -18.182 11.233 0.278) 21.374 14.988 ( -0.389 0.052 4.986) 5.002 15.017 ( -3.132 3.237 4.611) 6.446 15.312 ( 5.577 0.963 0.132) 5.661 15.734 ( -3.469 -3.023 3.223) 5.618 15.867 ( -2.050 -2.733 -1.727) 3.828 15.948 ( -0.891 -4.175 -0.802) 4.344 17.485 ( -0.318 2.748 -5.654) 6.295 17.624 ( -7.760 -1.771 0.283) 7.965 18.067 ( 4.295 -6.539 1.624) 7.990 18.146 ( 6.618 -13.815 0.610) 15.330 23.637 ( 0.382 6.759 1.905) 7.033 24.124 ( -23.549 27.368 -8.566) 37.107 24.432 ( 2.244 2.769 -2.165) 4.170 24.587 ( -4.379 15.456 -7.860) 17.884 24.629 ( -2.105 9.062 -3.834) 10.063 24.693 ( 1.551 0.018 0.730) 1.714 24.734 ( -2.059 10.221 -0.769) 10.455 24.812 ( -1.303 0.242 0.761) 1.528 26.187 ( 5.235 2.150 3.485) 6.646 26.656 ( -5.950 4.507 4.245) 8.587 27.340 ( 25.665 -3.518 -14.569) 29.720 28.405 ( -16.827 -9.750 7.386) 20.803 28.779 ( 1.641 -2.372 8.953) 9.406 28.959 ( -1.342 0.984 4.735) 5.019 29.684 ( 28.209 -18.786 -3.537) 34.076 30.525 ( -6.553 -24.857 8.932) 27.214 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 24.053 14.122 15.520) 31.920 1.696 ( 20.381 11.268 20.176) 30.813 2.105 ( -13.626 13.537 13.604) 23.537 2.185 ( -23.567 16.426 8.644) 29.999 2.972 ( 35.336 16.252 14.235) 41.418 3.631 ( -28.323 6.061 1.504) 29.003 3.800 ( -0.313 -5.880 -0.500) 5.909 3.839 ( 9.447 3.167 -0.258) 9.967 3.865 ( 0.433 0.238 0.210) 0.537 4.137 ( -13.577 4.720 -2.271) 14.553 4.628 ( 6.232 -1.533 0.773) 6.464 4.745 ( -4.499 0.083 0.580) 4.537 4.881 ( -1.077 6.443 -0.887) 6.592 4.889 ( -2.782 8.675 -0.212) 9.113 5.296 ( 8.927 -5.188 2.499) 10.623 5.400 ( 0.057 -6.009 0.163) 6.012 5.774 ( 10.566 9.754 3.533) 14.808 5.928 ( -5.606 1.387 8.150) 9.989 6.124 ( 0.102 7.263 -1.217) 7.365 6.181 ( -3.651 5.016 0.208) 6.207 6.261 ( -0.419 7.582 -0.838) 7.640 6.283 ( -2.903 5.295 0.205) 6.042 6.553 ( 3.461 3.734 3.513) 6.186 6.595 ( 0.788 3.471 -3.069) 4.700 6.649 ( -6.528 2.463 -2.752) 7.500 6.752 ( -11.798 5.903 3.352) 13.611 7.424 ( 7.252 1.264 -4.859) 8.821 7.514 ( -1.778 0.645 -4.594) 4.968 8.028 ( 6.879 -4.332 -3.723) 8.941 8.070 ( 1.650 -3.202 -4.505) 5.768 8.281 ( -0.467 -3.849 -3.770) 5.408 8.353 ( -5.970 -4.225 -1.244) 7.419 8.457 ( 2.461 2.883 -0.401) 3.812 8.532 ( -4.691 2.890 -1.111) 5.621 8.751 ( 6.084 1.569 -4.830) 7.925 8.862 ( -5.014 -0.818 -4.159) 6.565 9.410 ( 9.565 -13.436 -6.092) 17.582 9.513 ( -0.592 -13.737 -3.429) 14.171 9.906 ( 7.898 -0.657 -0.006) 7.926 10.025 ( -5.193 -1.709 -2.918) 6.196 10.211 ( 1.883 -2.093 -5.689) 6.348 10.235 ( -0.631 -3.520 -5.430) 6.502 10.736 ( -1.068 0.850 -2.486) 2.836 10.741 ( -1.682 4.743 -1.889) 5.375 11.206 ( 8.780 3.625 -10.258) 13.980 11.389 ( -10.656 0.570 -8.032) 13.356 12.200 ( 5.402 -9.113 1.517) 10.702 12.300 ( -5.265 -6.495 5.316) 9.908 12.627 ( 2.589 7.736 2.131) 8.431 12.685 ( -3.320 5.127 1.843) 6.380 12.923 ( 1.563 -0.761 11.568) 11.698 12.933 ( 0.979 -5.496 11.835) 13.085 13.419 ( 3.862 3.342 -8.296) 9.742 13.500 ( -4.297 1.098 -6.957) 8.251 13.768 ( 4.328 -1.065 -1.090) 4.589 13.828 ( -1.901 -2.905 -0.561) 3.517 14.050 ( 9.403 1.324 5.608) 11.028 14.306 ( -17.900 9.396 6.420) 21.211 14.988 ( 0.297 -0.904 4.959) 5.050 14.994 ( -0.386 1.497 4.200) 4.475 15.476 ( 9.972 -1.384 -1.789) 10.225 15.646 ( -7.023 -2.232 -0.469) 7.384 15.849 ( 0.984 -2.707 0.020) 2.880 15.897 ( -3.428 -3.216 -0.324) 4.712 17.492 ( 1.175 2.248 -5.350) 5.921 17.531 ( -3.003 1.074 -3.691) 4.878 18.144 ( 3.834 -6.453 -0.113) 7.507 18.195 ( -0.887 -10.356 -0.994) 10.441 23.665 ( 3.114 12.079 1.411) 12.554 23.787 ( -10.919 22.178 -0.870) 24.735 24.484 ( 2.824 3.143 -2.045) 4.694 24.531 ( -2.175 4.837 -2.348) 5.800 24.638 ( 1.571 5.447 0.536) 5.694 24.682 ( -2.784 8.222 -0.069) 8.680 24.734 ( 2.297 -0.145 0.724) 2.413 24.778 ( -2.165 -0.071 0.788) 2.305 26.324 ( 8.708 3.216 3.825) 10.040 26.501 ( -9.394 4.058 4.383) 11.132 27.755 ( 18.651 -4.912 -8.256) 20.980 28.085 ( -16.664 -6.666 0.636) 17.959 28.849 ( 4.190 0.238 5.415) 6.851 28.918 ( -2.959 0.843 4.771) 5.677 30.107 ( 16.766 -18.160 -4.677) 25.155 30.360 ( -10.679 -19.289 1.794) 22.121 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.000 27.895 12.691) 30.646 1.614 ( 0.000 24.823 23.598) 34.250 2.659 ( 0.000 33.225 10.599) 34.874 2.863 ( 0.000 19.522 12.326) 23.087 3.288 ( 0.000 20.677 3.341) 20.945 3.414 ( 0.000 -2.600 1.532) 3.018 3.666 ( 0.000 -6.154 -6.199) 8.734 3.762 ( 0.000 -2.605 1.310) 2.916 4.117 ( 0.000 -15.236 3.580) 15.651 4.239 ( 0.000 -2.903 7.757) 8.282 4.577 ( 0.000 3.351 -8.104) 8.769 4.869 ( 0.000 -6.234 5.954) 8.621 5.061 ( 0.000 -0.425 -1.937) 1.984 5.242 ( 0.000 16.805 -1.656) 16.886 5.326 ( 0.000 12.558 0.872) 12.588 5.335 ( 0.000 6.316 -4.585) 7.805 5.640 ( 0.000 14.589 8.461) 16.865 5.886 ( 0.000 -6.599 5.852) 8.820 6.258 ( 0.000 -1.865 -0.108) 1.869 6.320 ( 0.000 -1.550 -0.487) 1.625 6.458 ( 0.000 2.836 1.603) 3.258 6.468 ( 0.000 10.598 0.752) 10.625 6.694 ( 0.000 -11.065 -5.991) 12.583 6.808 ( 0.000 2.916 -10.082) 10.495 6.934 ( 0.000 8.574 -2.607) 8.962 6.990 ( 0.000 7.981 -10.569) 13.244 7.536 ( 0.000 2.367 -2.032) 3.119 7.596 ( 0.000 7.807 -2.024) 8.066 7.675 ( 0.000 8.650 3.670) 9.397 7.876 ( 0.000 -4.353 3.733) 5.734 8.366 ( 0.000 -5.207 -4.152) 6.660 8.366 ( 0.000 -6.291 7.659) 9.911 8.545 ( 0.000 4.969 -3.724) 6.210 8.672 ( 0.000 -2.746 -2.639) 3.809 8.675 ( 0.000 3.413 1.407) 3.692 8.884 ( 0.000 1.442 -5.406) 5.595 8.929 ( 0.000 -3.002 -2.665) 4.014 9.335 ( 0.000 0.046 -2.101) 2.102 9.586 ( 0.000 1.435 1.797) 2.300 9.957 ( 0.000 -10.670 -3.636) 11.273 10.049 ( 0.000 -6.680 -2.748) 7.223 10.157 ( 0.000 -3.384 -10.595) 11.122 10.634 ( 0.000 -10.601 1.095) 10.658 10.918 ( 0.000 -5.471 -5.134) 7.503 11.190 ( 0.000 13.921 -1.755) 14.031 11.612 ( 0.000 -2.363 -15.987) 16.160 11.840 ( 0.000 -4.343 -8.745) 9.764 12.382 ( 0.000 -14.505 0.739) 14.524 12.689 ( 0.000 11.846 7.934) 14.257 12.808 ( 0.000 -0.583 6.268) 6.295 12.828 ( 0.000 8.044 9.495) 12.444 13.060 ( 0.000 10.785 6.530) 12.608 13.378 ( 0.000 -0.310 -4.237) 4.248 13.509 ( 0.000 -9.795 -3.894) 10.541 13.569 ( 0.000 -5.709 2.757) 6.340 13.739 ( 0.000 4.325 1.539) 4.590 13.754 ( 0.000 -7.455 1.341) 7.575 14.797 ( 0.000 -6.034 3.337) 6.895 15.086 ( 0.000 4.122 2.203) 4.674 15.134 ( 0.000 0.832 3.324) 3.426 15.388 ( 0.000 4.770 0.707) 4.823 15.705 ( 0.000 -1.364 0.094) 1.367 15.819 ( 0.000 -3.969 -2.755) 4.832 15.862 ( 0.000 -3.688 0.108) 3.689 17.565 ( 0.000 3.930 -4.822) 6.221 17.663 ( 0.000 -3.292 3.273) 4.642 17.790 ( 0.000 -2.285 -8.328) 8.636 17.995 ( 0.000 -4.049 0.818) 4.131 23.781 ( 0.000 8.692 1.980) 8.915 24.326 ( 0.000 -0.646 0.589) 0.874 24.427 ( 0.000 -1.422 0.476) 1.499 24.615 ( 0.000 -3.730 2.061) 4.262 24.699 ( 0.000 4.431 1.196) 4.590 24.835 ( 0.000 1.373 -0.469) 1.451 25.016 ( 0.000 12.818 -1.241) 12.878 25.615 ( 0.000 12.885 -36.301) 38.520 26.266 ( 0.000 12.295 -10.403) 16.106 26.795 ( 0.000 4.325 -1.654) 4.630 26.968 ( 0.000 2.428 3.733) 4.453 28.194 ( 0.000 -23.679 22.137) 32.415 28.722 ( 0.000 1.829 7.686) 7.901 29.001 ( 0.000 2.560 3.472) 4.314 29.143 ( 0.000 -3.800 7.461) 8.373 30.087 ( 0.000 -21.632 6.034) 22.458 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 12.378 25.467 12.655) 31.015 1.730 ( 11.373 22.496 21.853) 33.361 2.640 ( -6.505 18.441 6.596) 20.637 2.948 ( -2.152 22.903 9.266) 24.799 3.018 ( -2.888 22.981 10.077) 25.259 3.563 ( 3.199 -9.810 0.379) 10.325 3.678 ( 3.099 -3.344 -2.475) 5.188 3.818 ( 4.802 4.013 1.317) 6.395 4.092 ( -0.053 -9.984 1.224) 10.058 4.220 ( -6.076 -1.430 -0.485) 6.260 4.579 ( 1.996 3.460 -0.885) 4.092 4.824 ( -2.566 -1.556 4.756) 5.624 5.018 ( -3.604 0.261 -1.972) 4.117 5.207 ( -8.950 6.831 1.184) 11.322 5.302 ( 1.635 13.580 -0.980) 13.713 5.371 ( 4.739 11.619 0.637) 12.565 5.780 ( 10.238 11.030 3.374) 15.423 5.891 ( 1.514 -4.723 6.745) 8.372 6.240 ( -2.080 -1.598 -1.652) 3.100 6.290 ( -2.729 -0.248 0.361) 2.764 6.417 ( -3.836 3.095 2.150) 5.377 6.462 ( -0.056 9.276 1.184) 9.351 6.648 ( -3.540 -5.394 -5.557) 8.515 6.759 ( -3.385 6.826 -5.892) 9.631 6.871 ( -7.743 9.402 -5.321) 13.291 6.981 ( 1.692 5.066 -4.305) 6.860 7.537 ( -5.916 11.403 3.386) 13.285 7.588 ( -0.802 4.967 -3.497) 6.127 7.724 ( 10.097 -3.613 -3.659) 11.332 7.930 ( 3.800 -4.698 1.749) 6.291 8.297 ( -5.648 -4.077 -3.096) 7.623 8.378 ( -0.271 -6.009 5.094) 7.882 8.461 ( -5.589 2.635 -2.779) 6.775 8.631 ( -3.686 -1.368 -2.008) 4.415 8.726 ( 4.228 -1.757 0.536) 4.610 8.851 ( -1.023 3.565 -2.718) 4.599 9.061 ( 8.886 -3.965 -5.253) 11.059 9.320 ( -1.016 -1.580 -1.443) 2.369 9.712 ( 10.738 0.692 -0.425) 10.769 9.981 ( 2.068 -8.481 -3.116) 9.269 10.062 ( 1.077 -7.711 -3.149) 8.399 10.149 ( -0.870 -2.867 -9.338) 9.807 10.624 ( -0.732 -10.540 -0.299) 10.569 10.845 ( -6.364 -5.091 -3.638) 8.925 11.251 ( 5.385 12.257 -5.865) 14.616 11.573 ( -3.717 2.162 -15.404) 15.993 11.892 ( 4.878 -7.190 -6.748) 11.001 12.276 ( -8.038 -10.260 2.012) 13.188 12.776 ( 4.527 5.766 5.388) 9.098 12.800 ( 0.178 3.766 4.300) 5.719 12.822 ( 0.079 5.201 12.426) 13.471 13.028 ( -2.877 8.798 6.285) 11.188 13.401 ( 1.920 -0.836 -4.408) 4.880 13.524 ( -2.966 -4.252 -0.552) 5.214 13.563 ( 5.017 -9.417 -3.310) 11.171 13.733 ( -0.402 -6.282 0.899) 6.359 13.886 ( 11.508 4.186 4.240) 12.959 14.806 ( -1.497 -1.164 1.233) 2.262 14.985 ( -10.181 1.802 6.382) 12.151 15.096 ( -4.165 2.998 2.949) 5.919 15.357 ( 1.720 3.659 0.682) 4.100 15.687 ( -2.157 -1.257 -0.054) 2.497 15.801 ( -1.825 -3.405 -1.900) 4.305 15.854 ( -1.338 -5.021 -0.613) 5.232 17.561 ( -0.336 4.237 -4.888) 6.478 17.606 ( -2.993 0.566 -1.895) 3.587 17.886 ( 6.274 -6.827 -4.159) 10.162 18.007 ( 0.920 -5.143 0.152) 5.227 23.811 ( 3.383 9.643 1.779) 10.373 24.276 ( -5.590 1.700 0.053) 5.843 24.457 ( 2.933 -1.165 0.351) 3.175 24.617 ( -0.094 -3.847 2.025) 4.348 24.713 ( 1.547 4.847 1.184) 5.224 24.829 ( -0.624 2.044 -0.622) 2.226 24.966 ( -4.893 11.373 -0.959) 12.418 25.227 ( -26.965 21.075 -20.351) 39.817 26.295 ( 5.317 9.085 -0.830) 10.559 26.799 ( -5.842 9.398 3.236) 11.529 27.233 ( 21.945 -6.800 -12.362) 26.089 28.094 ( -9.270 -18.332 12.935) 24.276 28.774 ( 4.761 1.836 6.647) 8.380 29.001 ( -1.213 3.254 4.633) 5.790 29.342 ( 18.139 -13.002 5.459) 22.975 30.050 ( -4.002 -21.467 5.049) 22.413 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 13.441 18.079 17.875) 28.758 1.997 ( 14.981 18.680 13.463) 27.470 2.453 ( -9.158 18.674 9.137) 22.717 2.578 ( -19.851 20.333 7.429) 29.371 3.364 ( 19.748 10.904 3.809) 22.878 3.574 ( -2.346 -10.609 1.064) 10.917 3.692 ( 2.239 0.762 3.820) 4.492 3.879 ( -8.935 2.250 -1.046) 9.273 4.051 ( 1.921 12.514 -0.099) 12.661 4.127 ( -1.473 -4.782 -2.511) 5.599 4.657 ( 5.187 3.336 2.507) 6.657 4.761 ( -4.943 1.369 2.144) 5.559 4.976 ( 0.336 2.315 0.964) 2.530 5.043 ( -6.744 6.549 3.156) 9.916 5.345 ( 3.348 9.353 -0.574) 9.951 5.407 ( -1.732 7.718 -0.494) 7.925 5.912 ( 5.077 1.784 5.313) 7.563 5.968 ( 1.957 4.287 6.330) 7.892 6.198 ( -0.516 0.262 -2.093) 2.171 6.233 ( -2.794 0.561 -0.375) 2.874 6.392 ( 2.288 4.717 0.879) 5.315 6.452 ( -1.924 9.021 0.698) 9.250 6.606 ( 0.162 0.209 -3.872) 3.881 6.673 ( -5.989 1.667 -3.743) 7.256 6.812 ( 2.868 13.803 -1.879) 14.222 6.924 ( -6.812 10.308 -1.467) 12.443 7.494 ( 2.149 5.974 -0.285) 6.355 7.555 ( -2.821 3.493 -3.199) 5.513 7.902 ( 7.053 -7.280 -3.303) 10.660 7.971 ( -0.252 -6.650 -1.113) 6.748 8.211 ( -1.483 -3.163 -1.315) 3.733 8.272 ( -6.862 -3.888 1.370) 8.005 8.478 ( 4.072 -0.143 -1.721) 4.423 8.557 ( -4.007 -0.414 -2.046) 4.518 8.793 ( 2.681 -1.849 -0.485) 3.292 8.831 ( -1.376 -0.407 -1.031) 1.767 9.209 ( 6.153 -4.430 -4.923) 9.040 9.291 ( -2.572 -4.248 -2.891) 5.746 9.912 ( 8.943 1.502 -1.485) 9.189 10.006 ( -0.598 -2.560 -1.995) 3.300 10.082 ( 1.044 -9.546 -4.205) 10.483 10.116 ( -2.535 -5.223 -6.217) 8.506 10.632 ( 2.269 -9.620 -3.279) 10.414 10.717 ( -6.259 -6.955 -3.890) 10.133 11.367 ( 6.386 10.356 -10.439) 16.031 11.483 ( -5.564 7.426 -13.433) 16.326 12.002 ( 6.373 -9.073 -2.538) 11.374 12.130 ( -7.107 -9.196 0.982) 11.664 12.783 ( 0.055 3.045 6.925) 7.565 12.794 ( -0.970 6.469 6.707) 9.369 12.895 ( 4.377 3.964 7.200) 9.312 12.967 ( -3.383 5.784 6.274) 9.179 13.438 ( 1.898 -2.325 -4.086) 5.069 13.476 ( -2.165 -3.405 -2.926) 4.984 13.661 ( 4.367 -8.556 -2.088) 9.830 13.716 ( -1.607 -7.530 -0.303) 7.706 14.163 ( 17.562 9.644 5.105) 20.676 14.539 ( -20.924 11.718 3.424) 24.225 14.947 ( 3.615 -3.290 5.873) 7.641 15.022 ( -3.828 0.821 4.022) 5.613 15.458 ( 7.420 0.147 -0.484) 7.437 15.602 ( -6.813 -1.609 -0.548) 7.022 15.783 ( 0.497 -3.541 -0.768) 3.657 15.814 ( -2.363 -4.779 -0.753) 5.384 17.558 ( 0.183 3.994 -4.956) 6.367 17.570 ( -1.076 2.711 -4.356) 5.242 17.979 ( 3.338 -8.132 -2.362) 9.102 18.014 ( -0.491 -7.214 -1.195) 7.328 23.918 ( 8.005 11.323 0.994) 13.903 24.108 ( -11.030 9.060 -0.254) 14.277 24.525 ( 3.870 -0.796 0.391) 3.970 24.593 ( -2.775 -2.246 1.248) 3.782 24.763 ( 3.704 5.912 0.891) 7.034 24.821 ( 0.416 5.304 -1.588) 5.552 24.846 ( -6.089 9.359 -1.570) 11.276 24.896 ( -8.039 12.861 -4.157) 15.727 26.446 ( 9.724 9.106 1.746) 13.436 26.639 ( -9.970 9.526 3.075) 14.128 27.601 ( 16.532 -10.052 -7.849) 20.880 27.878 ( -12.988 -13.051 1.575) 18.480 28.873 ( 5.081 2.362 5.357) 7.751 28.955 ( -3.462 2.997 4.964) 6.753 29.688 ( 16.052 -19.763 2.404) 25.574 29.927 ( -9.233 -21.101 2.989) 23.225 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 0.000 26.156 13.411) 29.394 2.147 ( 0.000 26.359 4.992) 26.827 3.043 ( 0.000 13.474 2.869) 13.777 3.066 ( 0.000 -8.568 3.089) 9.108 3.163 ( 0.000 -18.543 2.842) 18.759 3.673 ( 0.000 15.624 1.047) 15.659 3.772 ( 0.000 -17.842 4.627) 18.433 3.811 ( 0.000 4.197 3.609) 5.536 3.936 ( 0.000 27.779 4.938) 28.215 4.217 ( 0.000 2.952 11.720) 12.086 4.524 ( 0.000 -11.284 1.461) 11.378 4.710 ( 0.000 -5.207 3.690) 6.382 5.189 ( 0.000 11.539 -2.053) 11.720 5.381 ( 0.000 3.420 -4.358) 5.540 5.552 ( 0.000 6.679 -0.475) 6.696 5.623 ( 0.000 13.338 -0.958) 13.372 5.745 ( 0.000 -5.518 2.354) 5.999 5.939 ( 0.000 11.754 4.368) 12.539 6.198 ( 0.000 -8.248 -2.106) 8.513 6.208 ( 0.000 -2.732 1.291) 3.022 6.462 ( 0.000 -9.438 -3.154) 9.951 6.479 ( 0.000 -1.360 -0.616) 1.493 6.672 ( 0.000 7.932 -0.359) 7.940 6.821 ( 0.000 -0.960 -4.151) 4.261 7.153 ( 0.000 7.862 -11.144) 13.638 7.169 ( 0.000 12.114 -2.069) 12.290 7.524 ( 0.000 -2.038 -3.421) 3.982 7.741 ( 0.000 -7.689 6.276) 9.925 7.826 ( 0.000 12.655 -0.045) 12.655 7.868 ( 0.000 8.878 5.114) 10.245 8.225 ( 0.000 -7.692 6.395) 10.003 8.257 ( 0.000 -5.585 -0.208) 5.589 8.573 ( 0.000 -1.448 -5.208) 5.405 8.581 ( 0.000 -4.754 -4.409) 6.484 8.718 ( 0.000 1.698 -2.455) 2.985 8.852 ( 0.000 -4.216 -1.068) 4.349 9.058 ( 0.000 13.704 -1.163) 13.753 9.418 ( 0.000 7.390 -4.738) 8.779 9.640 ( 0.000 2.999 -4.958) 5.794 9.697 ( 0.000 -14.411 -1.142) 14.457 9.898 ( 0.000 -6.510 -0.329) 6.519 10.074 ( 0.000 -6.221 -13.154) 14.551 10.467 ( 0.000 -3.212 4.069) 5.184 10.727 ( 0.000 -10.967 -2.945) 11.356 11.449 ( 0.000 10.510 -3.785) 11.171 11.613 ( 0.000 0.628 -16.127) 16.139 11.803 ( 0.000 0.857 -8.739) 8.781 12.108 ( 0.000 -12.155 -0.346) 12.160 12.844 ( 0.000 4.110 4.841) 6.350 12.915 ( 0.000 9.955 8.673) 13.203 13.011 ( 0.000 8.066 4.273) 9.128 13.210 ( 0.000 3.520 -0.355) 3.538 13.314 ( 0.000 -5.614 -1.075) 5.716 13.328 ( 0.000 -4.910 -0.326) 4.920 13.438 ( 0.000 -6.703 -1.245) 6.817 13.561 ( 0.000 -10.606 1.635) 10.731 13.961 ( 0.000 15.402 6.691) 16.792 14.604 ( 0.000 -12.431 7.858) 14.706 15.150 ( 0.000 0.933 3.478) 3.601 15.150 ( 0.000 1.915 2.122) 2.858 15.492 ( 0.000 5.446 -0.604) 5.479 15.708 ( 0.000 0.956 -1.936) 2.159 15.727 ( 0.000 -5.091 -2.969) 5.894 15.786 ( 0.000 -3.275 0.042) 3.275 17.625 ( 0.000 2.203 -4.206) 4.748 17.690 ( 0.000 4.450 -2.592) 5.150 17.737 ( 0.000 -2.774 -7.479) 7.977 17.901 ( 0.000 -4.990 -0.320) 5.000 23.978 ( 0.000 10.078 1.960) 10.267 24.345 ( 0.000 -6.163 1.692) 6.391 24.348 ( 0.000 2.482 1.025) 2.685 24.524 ( 0.000 -4.849 1.847) 5.189 24.789 ( 0.000 3.889 1.124) 4.048 24.861 ( 0.000 0.612 -0.088) 0.619 25.274 ( 0.000 11.908 -2.502) 12.168 25.648 ( 0.000 -4.819 -11.787) 12.734 26.530 ( 0.000 10.979 -15.663) 19.128 26.798 ( 0.000 -2.953 -5.650) 6.375 27.134 ( 0.000 12.252 5.863) 13.582 27.767 ( 0.000 -18.205 15.746) 24.070 28.790 ( 0.000 4.324 5.488) 6.987 28.998 ( 0.000 -4.302 4.023) 5.890 29.149 ( 0.000 6.282 6.349) 8.932 29.675 ( 0.000 -18.177 4.328) 18.685 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 7.231 24.098 10.073) 27.102 2.245 ( 8.738 25.574 9.274) 28.573 2.977 ( -6.422 16.498 4.790) 18.340 3.106 ( 4.084 -13.297 1.072) 13.952 3.176 ( -0.715 -10.247 3.959) 11.009 3.429 ( -15.033 8.138 4.154) 17.592 3.711 ( -4.628 -14.051 3.645) 15.236 3.859 ( -1.616 -1.573 2.908) 3.680 4.063 ( 10.264 21.677 2.618) 24.126 4.282 ( 5.521 7.623 5.459) 10.881 4.563 ( 4.300 -6.697 3.207) 8.580 4.731 ( 1.598 -5.000 3.838) 6.503 5.152 ( -2.715 12.566 -2.182) 13.040 5.334 ( -4.580 6.230 -0.390) 7.742 5.539 ( -0.791 6.701 -0.885) 6.805 5.618 ( -1.909 5.200 -1.085) 5.645 5.796 ( 6.154 1.517 3.325) 7.157 6.010 ( 5.134 6.978 2.845) 9.119 6.175 ( -0.598 -3.947 -0.842) 4.080 6.242 ( 0.750 -3.366 1.465) 3.747 6.397 ( -1.840 -3.249 -2.589) 4.543 6.538 ( 2.710 -4.054 -1.581) 5.126 6.641 ( -2.420 6.968 -0.281) 7.381 6.785 ( -3.985 -1.472 -4.583) 6.249 7.105 ( -2.222 11.590 -6.697) 13.569 7.189 ( 0.403 12.617 -2.956) 12.965 7.556 ( 2.650 -5.964 -4.237) 7.781 7.708 ( -4.337 -1.851 5.055) 6.913 7.813 ( -0.939 10.614 -0.454) 10.666 7.848 ( -0.840 2.787 4.194) 5.105 8.200 ( -4.565 -6.350 0.252) 7.824 8.220 ( -1.694 -8.223 5.960) 10.296 8.519 ( -4.121 0.983 -5.664) 7.073 8.588 ( -0.208 -0.617 -1.709) 1.829 8.651 ( -1.681 -2.221 -1.895) 3.369 8.861 ( -2.989 -6.434 -1.905) 7.346 9.134 ( 7.425 12.779 -1.763) 14.884 9.405 ( -1.271 8.120 -4.488) 9.365 9.738 ( 8.707 -0.891 -6.063) 10.648 9.746 ( 4.314 -12.927 -1.409) 13.700 9.899 ( 0.307 -5.340 -0.089) 5.349 10.104 ( 2.855 -3.751 -12.626) 13.477 10.437 ( -2.930 -4.925 2.565) 6.279 10.665 ( -6.062 -10.364 -3.866) 12.614 11.488 ( 3.707 9.788 -5.656) 11.897 11.633 ( 1.489 2.101 -13.782) 14.021 11.803 ( 0.446 -1.148 -8.395) 8.485 12.053 ( -5.020 -10.551 -0.480) 11.695 12.837 ( 0.139 5.031 5.562) 7.502 12.935 ( 0.254 7.715 10.429) 12.975 13.015 ( 1.097 8.320 2.814) 8.852 13.175 ( -3.158 4.929 1.735) 6.106 13.307 ( 0.631 -6.348 -1.973) 6.678 13.366 ( 1.308 -7.285 1.079) 7.479 13.437 ( 1.076 -5.201 -3.582) 6.406 13.554 ( -0.636 -10.166 1.286) 10.267 14.095 ( 12.865 14.160 6.177) 20.104 14.668 ( 6.410 -10.590 6.810) 14.128 15.052 ( -9.472 3.623 3.310) 10.668 15.131 ( -4.028 0.425 2.713) 4.875 15.459 ( -1.158 5.948 -0.262) 6.065 15.676 ( -2.898 -0.264 -1.919) 3.486 15.727 ( -0.738 -4.508 -1.999) 4.987 15.751 ( -3.126 -3.798 -0.477) 4.942 17.629 ( 0.370 2.739 -4.547) 5.321 17.671 ( -1.188 4.906 -3.699) 6.258 17.778 ( 3.118 -4.144 -5.640) 7.662 17.897 ( -0.480 -5.424 -0.831) 5.509 24.018 ( 4.110 10.101 1.715) 11.039 24.327 ( -2.357 3.466 0.832) 4.273 24.377 ( 3.187 -6.215 1.563) 7.157 24.522 ( -0.338 -5.097 1.766) 5.405 24.808 ( 2.171 4.048 1.086) 4.721 24.871 ( 1.234 1.338 -0.245) 1.837 25.190 ( -7.880 9.963 -1.842) 12.835 25.428 ( -18.650 1.190 -9.265) 20.859 26.544 ( 4.959 13.629 -6.235) 15.787 27.001 ( 7.266 2.003 -5.290) 9.208 27.100 ( 3.265 1.829 -0.874) 3.843 27.715 ( -5.415 -17.792 10.883) 21.549 28.843 ( 5.024 4.614 5.374) 8.684 29.081 ( 4.573 -0.032 3.497) 5.757 29.152 ( 3.408 -1.296 6.856) 7.766 29.641 ( -3.693 -17.952 4.156) 18.793 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 9.379 20.526 11.531) 25.343 2.428 ( 7.259 21.715 10.687) 25.268 2.855 ( -3.201 20.022 5.021) 20.888 2.991 ( -14.731 18.575 4.932) 24.214 3.205 ( 5.677 -15.935 2.406) 17.086 3.293 ( -2.940 -15.152 4.810) 16.166 3.665 ( 1.441 -14.277 0.061) 14.350 3.761 ( -6.969 -12.711 0.397) 14.502 4.260 ( 9.078 18.268 0.151) 20.400 4.353 ( 0.123 13.961 0.283) 13.964 4.663 ( 5.224 -3.441 3.968) 7.408 4.736 ( -1.832 -3.950 3.819) 5.791 5.138 ( 2.241 13.902 0.902) 14.110 5.227 ( -6.031 11.429 2.660) 13.193 5.535 ( 0.681 5.357 -1.110) 5.513 5.568 ( -2.573 3.097 -0.910) 4.129 5.937 ( 7.455 3.311 4.578) 9.354 6.048 ( -2.808 2.755 5.110) 6.449 6.163 ( 1.040 -3.191 -1.585) 3.712 6.216 ( -3.066 -2.059 1.176) 3.876 6.464 ( 7.892 2.455 -3.970) 9.170 6.580 ( 0.268 -0.172 -1.953) 1.979 6.598 ( -1.089 2.776 -0.005) 2.981 6.673 ( -6.820 -1.282 -4.224) 8.124 7.106 ( 2.384 14.006 -3.506) 14.634 7.168 ( -2.872 13.173 -2.683) 13.747 7.593 ( 0.964 -4.450 -2.307) 5.104 7.621 ( -3.083 1.519 2.212) 4.087 7.809 ( 0.815 2.770 -0.726) 2.977 7.833 ( -1.194 -2.425 0.965) 2.870 8.129 ( -1.520 -5.720 2.688) 6.500 8.157 ( -3.835 -7.697 4.953) 9.924 8.501 ( 1.893 2.531 -4.518) 5.514 8.551 ( -2.695 1.246 -2.975) 4.203 8.680 ( 3.478 -6.149 -0.798) 7.110 8.769 ( -5.471 -6.399 -0.409) 8.429 9.273 ( 6.301 9.952 -3.422) 12.266 9.364 ( -3.292 8.845 -4.194) 10.328 9.819 ( 3.023 -12.853 -1.760) 13.320 9.851 ( 0.161 -12.351 -3.889) 12.950 9.981 ( 9.702 5.231 -3.143) 11.461 10.128 ( -3.080 3.923 -7.808) 9.265 10.405 ( 2.060 -11.024 -3.177) 11.656 10.521 ( -8.200 -10.673 -5.593) 14.575 11.570 ( 4.333 8.547 -8.855) 13.048 11.634 ( -1.905 6.545 -10.886) 12.844 11.845 ( 4.180 -6.173 -5.487) 9.257 11.945 ( -5.865 -8.438 -1.916) 10.453 12.859 ( 2.048 5.823 7.453) 9.678 12.906 ( -2.561 6.556 9.672) 11.962 13.055 ( 2.659 7.365 2.992) 8.383 13.111 ( -3.258 6.200 3.102) 7.661 13.329 ( 1.448 -6.605 -1.912) 7.028 13.357 ( -1.374 -7.086 -0.555) 7.240 13.488 ( 3.157 -7.493 -1.970) 8.366 13.534 ( -1.614 -9.396 0.148) 9.535 14.404 ( 18.627 12.644 4.737) 23.006 14.756 ( -14.182 8.242 2.487) 16.591 14.847 ( 5.529 -5.737 6.428) 10.237 15.012 ( -8.087 -2.076 3.835) 9.188 15.492 ( 4.207 3.257 -0.468) 5.341 15.593 ( -5.585 0.830 -0.981) 5.731 15.704 ( -1.000 -5.586 -0.931) 5.751 15.707 ( -1.117 -3.924 -1.387) 4.310 17.639 ( 0.642 3.943 -4.700) 6.168 17.652 ( -0.800 4.930 -4.249) 6.558 17.836 ( 2.779 -5.860 -3.828) 7.531 17.878 ( -1.587 -6.086 -2.128) 6.639 24.126 ( 6.838 9.176 1.071) 11.494 24.252 ( -5.624 6.157 0.642) 8.363 24.449 ( 3.746 -5.896 1.367) 7.118 24.504 ( -1.859 -5.555 1.526) 6.053 24.878 ( 5.315 4.867 0.590) 7.231 24.926 ( 5.367 3.479 -1.005) 6.475 25.018 ( -9.148 7.022 -0.653) 11.550 25.101 ( -13.536 5.275 -3.811) 15.019 26.698 ( 10.003 14.812 -1.370) 17.926 26.891 ( -9.611 14.563 1.740) 17.535 27.347 ( 13.503 -14.299 -6.276) 20.645 27.568 ( -9.813 -16.438 1.930) 19.241 28.953 ( 5.951 5.534 5.078) 9.582 29.052 ( -4.183 6.626 4.908) 9.247 29.340 ( 11.559 -13.895 4.599) 18.651 29.530 ( -7.985 -16.904 3.984) 19.115 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 0.000 -1.412 0.065) 1.413 2.578 ( 0.000 1.412 0.065) 1.413 2.788 ( 0.000 -3.476 7.825) 8.562 2.788 ( 0.000 3.476 7.825) 8.562 3.397 ( 0.000 -18.019 4.630) 18.604 3.397 ( 0.000 18.019 4.630) 18.604 3.859 ( 0.000 -1.475 2.395) 2.813 3.859 ( 0.000 1.475 2.395) 2.813 4.254 ( 0.000 -11.784 6.981) 13.696 4.254 ( 0.000 11.784 6.981) 13.696 4.525 ( 0.000 -15.719 5.560) 16.673 4.525 ( 0.000 15.719 5.560) 16.673 5.430 ( 0.000 -5.977 -2.713) 6.564 5.430 ( 0.000 5.977 -2.713) 6.564 5.564 ( 0.000 -0.259 0.969) 1.003 5.564 ( 0.000 0.259 0.969) 1.003 5.924 ( 0.000 -9.887 -4.161) 10.727 5.924 ( 0.000 9.887 -4.161) 10.727 6.164 ( 0.000 -1.551 5.144) 5.373 6.164 ( 0.000 1.551 5.144) 5.373 6.403 ( 0.000 -4.045 -3.287) 5.212 6.403 ( 0.000 4.045 -3.287) 5.212 6.781 ( 0.000 -3.062 -2.737) 4.107 6.781 ( 0.000 3.062 -2.737) 4.107 7.291 ( 0.000 -3.285 -6.807) 7.558 7.291 ( 0.000 3.285 -6.807) 7.558 7.555 ( 0.000 -7.915 3.180) 8.530 7.555 ( 0.000 7.915 3.180) 8.530 8.047 ( 0.000 -7.894 4.622) 9.148 8.047 ( 0.000 7.894 4.622) 9.148 8.094 ( 0.000 -10.128 1.884) 10.301 8.094 ( 0.000 10.128 1.884) 10.301 8.535 ( 0.000 -0.768 -4.699) 4.761 8.535 ( 0.000 0.768 -4.699) 4.761 8.772 ( 0.000 -3.379 -2.498) 4.202 8.772 ( 0.000 3.379 -2.498) 4.202 9.377 ( 0.000 -16.190 -0.436) 16.196 9.377 ( 0.000 16.190 -0.436) 16.196 9.592 ( 0.000 -7.899 -6.024) 9.934 9.592 ( 0.000 7.899 -6.024) 9.934 9.908 ( 0.000 -7.477 -5.617) 9.352 9.908 ( 0.000 7.477 -5.617) 9.352 10.525 ( 0.000 -7.522 -0.556) 7.542 10.525 ( 0.000 7.522 -0.556) 7.542 11.594 ( 0.000 -3.311 -11.671) 12.132 11.594 ( 0.000 3.311 -11.671) 12.132 11.893 ( 0.000 -8.038 -2.238) 8.344 11.893 ( 0.000 8.038 -2.238) 8.344 12.964 ( 0.000 -6.458 3.602) 7.395 12.964 ( 0.000 6.458 3.602) 7.395 13.157 ( 0.000 -10.498 5.925) 12.054 13.157 ( 0.000 10.498 5.925) 12.054 13.329 ( 0.000 -3.990 -2.610) 4.768 13.329 ( 0.000 3.990 -2.610) 4.768 13.343 ( 0.000 -9.813 -0.993) 9.863 13.343 ( 0.000 9.813 -0.993) 9.863 14.302 ( 0.000 -16.394 8.962) 18.683 14.302 ( 0.000 16.394 8.962) 18.683 15.165 ( 0.000 -0.276 2.705) 2.719 15.165 ( 0.000 0.276 2.705) 2.719 15.611 ( 0.000 -5.955 -1.988) 6.278 15.611 ( 0.000 5.955 -1.988) 6.278 15.735 ( 0.000 -1.731 -1.188) 2.100 15.735 ( 0.000 1.731 -1.188) 2.100 17.678 ( 0.000 -2.866 -6.228) 6.856 17.678 ( 0.000 2.866 -6.228) 6.856 17.794 ( 0.000 -5.266 -1.663) 5.522 17.794 ( 0.000 5.266 -1.663) 5.522 24.181 ( 0.000 -9.225 1.967) 9.432 24.181 ( 0.000 9.225 1.967) 9.432 24.425 ( 0.000 -4.534 1.424) 4.753 24.425 ( 0.000 4.534 1.424) 4.753 24.849 ( 0.000 -1.813 0.731) 1.955 24.849 ( 0.000 1.813 0.731) 1.955 25.496 ( 0.000 -9.398 -5.115) 10.700 25.496 ( 0.000 9.398 -5.115) 10.700 26.704 ( 0.000 -6.211 -9.998) 11.770 26.704 ( 0.000 6.211 -9.998) 11.770 27.424 ( 0.000 -15.433 9.125) 17.929 27.424 ( 0.000 15.433 9.125) 17.929 28.891 ( 0.000 -5.331 4.822) 7.188 28.891 ( 0.000 5.331 4.822) 7.188 29.352 ( 0.000 -12.940 4.941) 13.851 29.352 ( 0.000 12.940 4.941) 13.851 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 6.392 -7.125 1.633) 9.710 2.642 ( 6.392 7.125 1.633) 9.710 2.828 ( 3.857 -8.051 7.831) 11.875 2.828 ( 3.857 8.051 7.831) 11.875 3.350 ( -4.391 -18.377 3.759) 19.265 3.350 ( -4.391 18.377 3.759) 19.265 3.688 ( -13.804 -12.196 3.683) 18.784 3.688 ( -13.804 12.196 3.683) 18.784 4.383 ( 9.525 -9.203 4.263) 13.914 4.383 ( 9.525 9.203 4.263) 13.914 4.565 ( 3.321 -13.165 4.335) 14.253 4.565 ( 3.321 13.165 4.335) 14.253 5.421 ( -0.365 -7.776 -1.591) 7.946 5.421 ( -0.365 7.776 -1.591) 7.946 5.536 ( -2.497 -1.845 1.282) 3.359 5.536 ( -2.497 1.845 1.282) 3.359 5.968 ( 3.995 -8.255 -3.169) 9.703 5.968 ( 3.995 8.255 -3.169) 9.703 6.171 ( -0.020 -3.125 4.374) 5.376 6.171 ( -0.020 3.125 4.374) 5.376 6.434 ( 3.461 -5.967 -2.695) 7.406 6.434 ( 3.461 5.967 -2.695) 7.406 6.740 ( -4.019 -2.985 -2.954) 5.812 6.740 ( -4.019 2.985 -2.954) 5.812 7.314 ( 2.264 -6.520 -5.824) 9.031 7.314 ( 2.264 6.520 -5.824) 9.031 7.531 ( -2.543 -9.059 2.165) 9.655 7.531 ( -2.543 9.059 2.165) 9.655 8.013 ( -3.170 -9.740 3.769) 10.914 8.013 ( -3.170 9.740 3.769) 10.914 8.047 ( -4.124 -10.315 3.350) 11.603 8.047 ( -4.124 10.315 3.350) 11.603 8.540 ( 0.687 -2.755 -4.991) 5.742 8.540 ( 0.687 2.755 -4.991) 5.742 8.721 ( -4.423 -6.389 -1.649) 7.943 8.721 ( -4.423 6.389 -1.649) 7.943 9.438 ( 5.258 -15.538 -1.032) 16.435 9.438 ( 5.258 15.538 -1.032) 16.435 9.601 ( 0.480 -9.987 -5.178) 11.260 9.601 ( 0.480 9.987 -5.178) 11.260 9.963 ( 5.849 -7.976 -6.411) 11.787 9.963 ( 5.849 7.976 -6.411) 11.787 10.474 ( -5.397 -7.041 -1.836) 9.059 10.474 ( -5.397 7.041 -1.836) 9.059 11.625 ( 3.147 -3.203 -10.439) 11.364 11.625 ( 3.147 3.203 -10.439) 11.364 11.865 ( -2.798 -6.980 -3.138) 8.149 11.865 ( -2.798 6.980 -3.138) 8.149 12.979 ( 1.544 -7.607 4.153) 8.803 12.979 ( 1.544 7.607 4.153) 8.803 13.133 ( -2.360 -9.550 6.595) 11.843 13.133 ( -2.360 9.550 6.595) 11.843 13.334 ( 0.490 -3.967 -2.441) 4.684 13.334 ( 0.490 3.967 -2.441) 4.684 13.348 ( 0.330 -8.762 -1.114) 8.838 13.348 ( 0.330 8.762 -1.114) 8.838 14.403 ( 10.076 -14.626 7.644) 19.336 14.403 ( 10.076 14.626 7.644) 19.336 15.113 ( -5.918 -2.046 2.832) 6.873 15.113 ( -5.918 2.046 2.832) 6.873 15.591 ( -1.495 -6.522 -1.338) 6.823 15.591 ( -1.495 6.522 -1.338) 6.823 15.702 ( -3.115 -1.421 -1.444) 3.715 15.702 ( -3.115 1.421 -1.444) 3.715 17.693 ( 1.439 -3.337 -5.743) 6.796 17.693 ( 1.439 3.337 -5.743) 6.796 17.786 ( -0.885 -5.259 -2.090) 5.728 17.786 ( -0.885 5.259 -2.090) 5.728 24.217 ( 3.631 -8.994 1.739) 9.854 24.217 ( 3.631 8.994 1.739) 9.854 24.416 ( -1.032 -4.968 1.327) 5.244 24.416 ( -1.032 4.968 1.327) 5.244 24.868 ( 2.215 -1.605 0.643) 2.810 24.868 ( 2.215 1.605 0.643) 2.810 25.363 ( -11.993 -6.399 -3.947) 14.155 25.363 ( -11.993 6.399 -3.947) 14.155 26.814 ( 9.996 -12.169 -8.381) 17.840 26.814 ( 9.996 12.169 -8.381) 17.840 27.367 ( -5.676 -15.986 6.813) 18.280 27.367 ( -5.676 15.986 6.813) 18.280 28.958 ( 6.432 -6.486 4.861) 10.347 28.958 ( 6.432 6.486 4.861) 10.347 29.324 ( -2.944 -12.564 4.857) 13.788 29.324 ( -2.944 12.564 4.857) 13.788 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 8.377 -11.974 5.528) 15.624 2.794 ( 8.377 11.974 5.528) 15.624 2.889 ( 0.190 -12.024 8.319) 14.622 2.889 ( 0.190 12.024 8.319) 14.622 3.288 ( 0.554 -19.852 1.468) 19.914 3.288 ( 0.554 19.852 1.468) 19.914 3.425 ( -12.353 -18.145 2.528) 22.096 3.425 ( -12.353 18.145 2.528) 22.096 4.540 ( 6.269 -8.299 1.970) 10.586 4.540 ( 6.269 8.299 1.970) 10.586 4.604 ( -0.264 -9.390 2.091) 9.624 4.604 ( -0.264 9.390 2.091) 9.624 5.436 ( 1.980 -8.426 0.743) 8.687 5.436 ( 1.980 8.426 0.743) 8.687 5.484 ( -2.774 -5.507 1.643) 6.381 5.484 ( -2.774 5.507 1.643) 6.381 6.055 ( 4.832 -5.800 -0.492) 7.565 6.055 ( 4.832 5.800 -0.492) 7.565 6.138 ( -3.435 -4.704 2.617) 6.386 6.138 ( -3.435 4.704 2.617) 6.386 6.529 ( 5.974 -3.645 -2.513) 7.435 6.529 ( 5.974 3.645 -2.513) 7.435 6.644 ( -5.790 -1.397 -3.007) 6.672 6.644 ( -5.790 1.397 -3.007) 6.672 7.374 ( 4.028 -9.255 -3.342) 10.632 7.374 ( 4.028 9.255 -3.342) 10.632 7.461 ( -4.594 -9.617 -0.360) 10.664 7.461 ( -4.594 9.617 -0.360) 10.664 7.959 ( -1.430 -7.589 3.477) 8.469 7.959 ( -1.430 7.589 3.477) 8.469 7.975 ( -2.785 -7.576 4.137) 9.070 7.975 ( -2.785 7.576 4.137) 9.070 8.569 ( 2.479 -4.377 -3.784) 6.294 8.569 ( 2.479 4.377 -3.784) 6.294 8.634 ( -4.226 -5.912 -1.964) 7.528 8.634 ( -4.226 5.912 -1.964) 7.528 9.534 ( 4.232 -14.056 -2.221) 14.846 9.534 ( 4.232 14.056 -2.221) 14.846 9.591 ( -1.726 -12.398 -3.615) 13.030 9.591 ( -1.726 12.398 -3.615) 13.030 10.124 ( 10.427 -7.358 -6.507) 14.325 10.124 ( 10.427 7.358 -6.507) 14.325 10.325 ( -9.847 -6.632 -4.507) 12.699 10.325 ( -9.847 6.632 -4.507) 12.699 11.704 ( 4.807 -3.651 -7.819) 9.878 11.704 ( 4.807 3.651 -7.819) 9.878 11.794 ( -4.434 -5.071 -5.228) 8.527 11.794 ( -4.434 5.071 -5.228) 8.527 13.020 ( 2.710 -8.568 5.500) 10.536 13.020 ( 2.710 8.568 5.500) 10.536 13.078 ( -3.165 -8.768 6.696) 11.478 13.078 ( -3.165 8.768 6.696) 11.478 13.345 ( 0.533 -5.053 -1.877) 5.416 13.345 ( 0.533 5.053 -1.877) 5.416 13.351 ( -0.072 -6.710 -1.409) 6.857 13.351 ( -0.072 6.710 -1.409) 6.857 14.651 ( 14.985 -10.745 5.308) 19.188 14.651 ( 14.985 10.745 5.308) 19.188 14.929 ( -13.081 -5.973 3.596) 14.822 14.929 ( -13.081 5.973 3.596) 14.822 15.585 ( 1.297 -5.386 -0.903) 5.613 15.585 ( 1.297 5.386 -0.903) 5.613 15.635 ( -3.527 -2.952 -1.318) 4.785 15.635 ( -3.527 2.952 -1.318) 4.785 17.727 ( 1.936 -4.270 -4.563) 6.542 17.727 ( 1.936 4.270 -4.563) 6.542 17.761 ( -1.612 -4.996 -3.191) 6.143 17.761 ( -1.612 4.996 -3.191) 6.143 24.303 ( 4.796 -7.957 1.289) 9.379 24.303 ( 4.796 7.957 1.289) 9.379 24.380 ( -2.975 -6.247 1.156) 7.015 24.380 ( -2.975 6.247 1.156) 7.015 24.946 ( 6.389 -1.431 0.069) 6.548 24.946 ( 6.389 1.431 0.069) 6.548 25.121 ( -11.819 -2.594 -1.611) 12.207 25.121 ( -11.819 2.594 -1.611) 12.207 27.025 ( 11.207 -16.067 -4.066) 20.007 27.025 ( 11.207 16.067 -4.066) 20.007 27.222 ( -9.238 -16.667 1.587) 19.122 27.222 ( -9.238 16.667 1.587) 19.122 29.103 ( 7.984 -9.025 4.777) 12.962 29.103 ( 7.984 9.025 4.777) 12.962 29.239 ( -5.959 -11.298 4.734) 13.622 29.239 ( -5.959 11.298 4.734) 13.622 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 0.000 30.889) 30.889 1.492 ( 0.000 0.000 33.314) 33.314 2.488 ( 0.000 0.000 46.338) 46.338 2.832 ( 0.000 0.000 9.324) 9.324 2.911 ( 0.000 0.000 16.530) 16.530 3.263 ( 0.000 0.000 1.558) 1.558 3.826 ( 0.000 0.000 -6.025) 6.025 3.929 ( 0.000 0.000 -1.041) 1.041 4.300 ( 0.000 0.000 -8.026) 8.026 4.363 ( 0.000 0.000 -8.635) 8.635 4.502 ( 0.000 0.000 3.667) 3.667 4.566 ( 0.000 0.000 -1.819) 1.819 4.814 ( 0.000 0.000 -7.917) 7.917 4.888 ( 0.000 0.000 5.528) 5.528 5.002 ( 0.000 0.000 0.590) 0.590 5.270 ( 0.000 0.000 -5.183) 5.183 5.931 ( 0.000 0.000 32.456) 32.456 5.940 ( 0.000 0.000 -0.111) 0.111 6.072 ( 0.000 0.000 -4.223) 4.223 6.306 ( 0.000 0.000 2.983) 2.983 6.328 ( 0.000 0.000 3.957) 3.957 6.376 ( 0.000 0.000 2.776) 2.776 6.566 ( 0.000 0.000 -14.408) 14.408 6.701 ( 0.000 0.000 -10.234) 10.234 6.725 ( 0.000 0.000 15.496) 15.496 6.974 ( 0.000 0.000 -1.880) 1.880 7.161 ( 0.000 0.000 -0.949) 0.949 7.382 ( 0.000 0.000 -4.813) 4.813 7.610 ( 0.000 0.000 0.137) 0.137 7.880 ( 0.000 0.000 -3.869) 3.869 8.291 ( 0.000 0.000 -10.188) 10.188 8.337 ( 0.000 0.000 -13.658) 13.658 8.387 ( 0.000 0.000 6.034) 6.034 8.596 ( 0.000 0.000 2.895) 2.895 8.607 ( 0.000 0.000 -1.963) 1.963 8.810 ( 0.000 0.000 -11.551) 11.551 8.908 ( 0.000 0.000 -13.718) 13.718 9.584 ( 0.000 0.000 6.132) 6.132 9.747 ( 0.000 0.000 8.303) 8.303 9.976 ( 0.000 0.000 -15.377) 15.377 10.045 ( 0.000 0.000 -3.387) 3.387 10.100 ( 0.000 0.000 -9.234) 9.234 10.632 ( 0.000 0.000 0.117) 0.117 10.738 ( 0.000 0.000 0.707) 0.707 10.826 ( 0.000 0.000 -9.765) 9.765 11.601 ( 0.000 0.000 -20.510) 20.510 12.229 ( 0.000 0.000 1.049) 1.049 12.491 ( 0.000 0.000 14.438) 14.438 12.734 ( 0.000 0.000 15.254) 15.254 12.905 ( 0.000 0.000 -15.563) 15.563 13.069 ( 0.000 0.000 3.624) 3.624 13.152 ( 0.000 0.000 18.225) 18.225 13.190 ( 0.000 0.000 0.573) 0.573 13.423 ( 0.000 0.000 -12.159) 12.159 13.617 ( 0.000 0.000 -1.624) 1.624 13.841 ( 0.000 0.000 -2.279) 2.279 13.955 ( 0.000 0.000 -0.222) 0.222 14.608 ( 0.000 0.000 -5.569) 5.569 15.042 ( 0.000 0.000 5.037) 5.037 15.127 ( 0.000 0.000 5.584) 5.584 15.327 ( 0.000 0.000 3.171) 3.171 15.819 ( 0.000 0.000 -6.963) 6.963 15.901 ( 0.000 0.000 -1.970) 1.970 15.951 ( 0.000 0.000 0.354) 0.354 17.303 ( 0.000 0.000 -8.686) 8.686 17.631 ( 0.000 0.000 -10.972) 10.972 18.114 ( 0.000 0.000 0.946) 0.946 18.525 ( 0.000 0.000 -1.286) 1.286 23.470 ( 0.000 0.000 3.582) 3.582 23.670 ( 0.000 0.000 5.058) 5.058 24.276 ( 0.000 0.000 -5.927) 5.927 24.506 ( 0.000 0.000 -4.199) 4.199 24.545 ( 0.000 0.000 2.216) 2.216 24.586 ( 0.000 0.000 0.408) 0.408 24.778 ( 0.000 0.000 3.905) 3.905 24.860 ( 0.000 0.000 2.218) 2.218 26.248 ( 0.000 0.000 6.694) 6.694 26.709 ( 0.000 0.000 2.849) 2.849 27.044 ( 0.000 0.000 4.380) 4.380 28.636 ( 0.000 0.000 -3.131) 3.131 29.067 ( 0.000 0.000 7.159) 7.159 29.156 ( 0.000 0.000 -4.178) 4.178 29.448 ( 0.000 0.000 11.393) 11.393 30.929 ( 0.000 0.000 -11.392) 11.392 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 14.865 0.000 27.043) 30.859 1.674 ( 17.033 0.000 29.008) 33.639 2.554 ( 1.243 0.000 32.596) 32.619 2.618 ( -17.792 0.000 10.765) 20.795 2.935 ( 7.527 0.000 25.625) 26.708 3.438 ( 13.700 0.000 0.442) 13.707 3.759 ( -4.535 0.000 -7.689) 8.927 3.915 ( -2.124 0.000 -1.785) 2.774 4.173 ( -11.510 0.000 3.616) 12.065 4.232 ( -11.418 0.000 -7.046) 13.417 4.597 ( 2.290 0.000 -1.922) 2.989 4.603 ( 7.721 0.000 -1.330) 7.835 4.782 ( -2.850 0.000 -4.399) 5.242 4.908 ( 0.235 0.000 3.186) 3.194 5.104 ( 9.238 0.000 -3.886) 10.022 5.335 ( 5.510 0.000 -5.913) 8.082 5.901 ( -0.789 0.000 31.353) 31.363 5.955 ( 1.479 0.000 -0.437) 1.543 6.061 ( -1.097 0.000 -4.389) 4.524 6.264 ( -4.213 0.000 0.995) 4.329 6.309 ( -3.194 0.000 6.778) 7.493 6.350 ( -3.272 0.000 2.944) 4.402 6.496 ( -3.973 0.000 -8.873) 9.722 6.643 ( -5.428 0.000 -8.375) 9.980 6.690 ( -1.992 0.000 14.706) 14.840 7.031 ( -11.270 0.000 2.277) 11.497 7.083 ( 9.110 0.000 -5.330) 10.555 7.391 ( 0.263 0.000 -6.379) 6.384 7.758 ( 12.972 0.000 -3.791) 13.515 7.898 ( 1.636 0.000 -5.619) 5.853 8.199 ( -5.234 0.000 -12.014) 13.105 8.402 ( 1.523 0.000 5.840) 6.035 8.411 ( 2.630 0.000 -9.528) 9.884 8.544 ( -2.239 0.000 -1.178) 2.530 8.579 ( -2.802 0.000 -0.584) 2.862 8.807 ( -3.080 0.000 -10.564) 11.004 9.082 ( 15.965 0.000 -13.245) 20.743 9.583 ( -0.439 0.000 1.387) 1.455 9.835 ( 7.571 0.000 7.033) 10.334 9.973 ( -0.034 0.000 -12.288) 12.288 10.051 ( 0.617 0.000 -4.427) 4.470 10.098 ( -0.286 0.000 -8.916) 8.921 10.641 ( 0.962 0.000 0.409) 1.045 10.728 ( -1.012 0.000 0.790) 1.284 10.845 ( 2.670 0.000 -11.197) 11.511 11.476 ( -11.896 0.000 -17.359) 21.044 12.295 ( 6.296 0.000 -1.184) 6.406 12.505 ( 1.475 0.000 13.979) 14.057 12.687 ( -3.844 0.000 12.274) 12.861 12.852 ( -13.758 0.000 0.910) 13.788 12.970 ( 5.726 0.000 -12.396) 13.655 13.160 ( 1.968 0.000 13.318) 13.462 13.293 ( 2.978 0.000 9.775) 10.218 13.360 ( -5.560 0.000 -11.588) 12.853 13.671 ( 4.578 0.000 -1.895) 4.954 13.929 ( -2.643 0.000 -0.295) 2.659 13.951 ( 9.289 0.000 -0.892) 9.332 14.539 ( -7.839 0.000 -2.361) 8.187 15.053 ( 1.052 0.000 5.069) 5.177 15.121 ( -0.619 0.000 5.517) 5.552 15.332 ( 2.427 0.000 2.713) 3.640 15.790 ( -5.372 0.000 -4.092) 6.753 15.839 ( -0.980 0.000 -1.444) 1.745 15.964 ( -1.213 0.000 -1.862) 2.222 17.303 ( 0.318 0.000 -8.306) 8.312 17.546 ( -7.301 0.000 -8.111) 10.913 18.143 ( 2.935 0.000 0.730) 3.025 18.447 ( -6.453 0.000 -0.165) 6.455 23.485 ( 1.584 0.000 3.629) 3.959 23.645 ( -2.438 0.000 4.726) 5.317 24.303 ( 2.718 0.000 -5.569) 6.197 24.488 ( -1.888 0.000 -4.268) 4.667 24.565 ( 1.495 0.000 1.121) 1.868 24.587 ( 0.097 0.000 0.504) 0.513 24.780 ( 0.444 0.000 3.910) 3.935 24.853 ( -0.843 0.000 2.433) 2.574 26.289 ( 4.574 0.000 6.908) 8.285 26.725 ( -2.975 0.000 6.057) 6.748 27.201 ( 17.989 0.000 -4.068) 18.443 28.475 ( -16.893 0.000 -5.952) 17.911 28.982 ( -2.807 0.000 7.800) 8.290 29.094 ( -1.880 0.000 8.035) 8.252 29.769 ( 22.230 0.000 -0.631) 22.239 30.806 ( -11.874 0.000 -8.425) 14.559 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 21.392 0.000 20.243) 29.452 2.049 ( 20.431 0.000 23.777) 31.349 2.236 ( -21.603 0.000 14.641) 26.097 2.399 ( -15.171 0.000 21.590) 26.387 3.273 ( 23.273 0.000 23.105) 32.795 3.645 ( -11.820 0.000 -1.055) 11.867 3.710 ( 14.525 0.000 -2.091) 14.675 3.860 ( -0.876 0.000 -0.299) 0.926 3.947 ( -9.506 0.000 7.693) 12.229 3.983 ( -14.048 0.000 -4.680) 14.807 4.649 ( 3.269 0.000 -1.869) 3.765 4.718 ( -3.715 0.000 -2.426) 4.437 4.738 ( 6.423 0.000 0.361) 6.433 4.853 ( -5.410 0.000 1.750) 5.686 5.296 ( 9.468 0.000 -6.940) 11.739 5.402 ( -0.480 0.000 -7.400) 7.416 5.972 ( 8.357 0.000 24.003) 25.416 5.995 ( 2.542 0.000 -1.897) 3.171 6.034 ( -1.573 0.000 -4.234) 4.517 6.171 ( -10.654 0.000 14.405) 17.917 6.191 ( -1.455 0.000 0.158) 1.463 6.247 ( -6.190 0.000 0.811) 6.243 6.478 ( 1.643 0.000 -3.287) 3.675 6.539 ( -4.611 0.000 -4.270) 6.284 6.706 ( 3.919 0.000 10.480) 11.189 6.828 ( -8.817 0.000 7.363) 11.487 7.254 ( 7.959 0.000 -8.176) 11.410 7.365 ( -3.490 0.000 -8.369) 9.067 7.938 ( 2.541 0.000 -8.528) 8.898 7.960 ( 3.518 0.000 -7.254) 8.063 8.167 ( 5.333 0.000 -9.635) 11.013 8.338 ( -8.759 0.000 -5.643) 10.420 8.445 ( 3.024 0.000 4.816) 5.686 8.512 ( -3.821 0.000 2.390) 4.507 8.601 ( 6.386 0.000 -7.820) 10.097 8.721 ( -5.644 0.000 -8.577) 10.268 9.368 ( 12.427 0.000 -11.032) 16.618 9.536 ( -5.304 0.000 -6.114) 8.094 9.957 ( 3.797 0.000 1.697) 4.159 9.980 ( 0.438 0.000 -4.586) 4.607 10.068 ( 1.055 0.000 -6.430) 6.516 10.087 ( -0.870 0.000 -8.029) 8.076 10.667 ( 1.693 0.000 0.844) 1.892 10.701 ( -1.707 0.000 0.931) 1.944 10.961 ( 9.963 0.000 -13.460) 16.746 11.208 ( -14.861 0.000 -14.470) 20.742 12.442 ( 8.716 0.000 -2.839) 9.167 12.547 ( 2.863 0.000 12.938) 13.251 12.611 ( -3.831 0.000 11.961) 12.560 12.622 ( -10.457 0.000 -1.787) 10.608 13.097 ( 7.249 0.000 -11.514) 13.606 13.220 ( 4.113 0.000 13.738) 14.341 13.236 ( -7.163 0.000 -11.516) 13.562 13.292 ( -2.567 0.000 12.514) 12.775 13.767 ( 5.176 0.000 -1.260) 5.327 13.860 ( -4.452 0.000 -0.608) 4.494 14.132 ( 9.615 0.000 3.018) 10.077 14.335 ( -11.795 0.000 3.482) 12.299 15.078 ( 1.441 0.000 5.179) 5.376 15.103 ( -1.180 0.000 5.354) 5.482 15.456 ( 9.672 0.000 -0.704) 9.698 15.646 ( -9.237 0.000 -2.142) 9.482 15.855 ( 2.004 0.000 -2.302) 3.052 15.910 ( -3.513 0.000 -1.989) 4.037 17.330 ( 2.792 0.000 -7.497) 8.000 17.413 ( -5.940 0.000 -6.719) 8.968 18.220 ( 4.937 0.000 0.092) 4.938 18.325 ( -6.049 0.000 -0.192) 6.052 23.528 ( 2.832 0.000 3.800) 4.740 23.588 ( -3.314 0.000 4.170) 5.327 24.368 ( 3.780 0.000 -4.948) 6.227 24.438 ( -3.313 0.000 -4.501) 5.588 24.585 ( 0.546 0.000 0.466) 0.718 24.589 ( 0.020 0.000 0.599) 0.600 24.799 ( 1.456 0.000 3.503) 3.794 24.829 ( -1.551 0.000 2.917) 3.304 26.418 ( 8.564 0.000 7.316) 11.264 26.594 ( -9.186 0.000 7.683) 11.975 27.629 ( 24.262 0.000 -8.721) 25.782 28.081 ( -22.891 0.000 -7.235) 24.007 28.997 ( 2.729 0.000 8.739) 9.155 29.052 ( -2.660 0.000 8.604) 9.006 30.174 ( 19.871 0.000 -4.194) 20.309 30.524 ( -16.930 0.000 -5.300) 17.740 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 11.276 28.822) 30.949 1.645 ( 0.000 25.006 24.710) 35.155 2.614 ( 0.000 12.175 34.922) 36.984 2.952 ( 0.000 6.799 21.074) 22.144 3.019 ( 0.000 15.711 8.946) 18.080 3.362 ( 0.000 8.109 2.248) 8.415 3.731 ( 0.000 -7.733 -3.966) 8.691 3.874 ( 0.000 -4.654 -0.048) 4.654 4.311 ( 0.000 0.208 -8.805) 8.807 4.339 ( 0.000 -2.235 -4.785) 5.281 4.381 ( 0.000 -3.186 2.461) 4.026 4.849 ( 0.000 17.552 -1.086) 17.586 4.896 ( 0.000 6.791 -4.036) 7.900 4.911 ( 0.000 2.947 -0.186) 2.952 5.085 ( 0.000 5.910 -3.553) 6.896 5.244 ( 0.000 -1.806 -3.839) 4.243 5.908 ( 0.000 -1.005 28.212) 28.230 6.084 ( 0.000 9.050 -0.414) 9.060 6.187 ( 0.000 10.057 -2.296) 10.315 6.296 ( 0.000 -4.283 8.219) 9.268 6.347 ( 0.000 3.258 2.290) 3.983 6.386 ( 0.000 3.422 -0.966) 3.556 6.519 ( 0.000 -1.452 -9.338) 9.450 6.694 ( 0.000 -2.895 -9.608) 10.035 6.788 ( 0.000 3.952 6.058) 7.233 6.823 ( 0.000 -5.500 -2.100) 5.887 7.374 ( 0.000 13.082 -0.008) 13.082 7.409 ( 0.000 2.960 -5.208) 5.990 7.604 ( 0.000 0.078 -0.283) 0.294 7.906 ( 0.000 2.232 -2.100) 3.064 8.278 ( 0.000 -1.230 -9.295) 9.376 8.332 ( 0.000 -0.338 -12.887) 12.891 8.454 ( 0.000 3.621 4.099) 5.469 8.625 ( 0.000 4.303 1.890) 4.700 8.635 ( 0.000 1.446 -1.664) 2.204 8.798 ( 0.000 -0.184 -10.840) 10.842 8.844 ( 0.000 -5.484 -9.578) 11.037 9.475 ( 0.000 -9.171 2.864) 9.608 9.702 ( 0.000 -3.966 5.377) 6.681 9.899 ( 0.000 -4.671 -12.581) 13.420 10.051 ( 0.000 -0.379 -3.097) 3.120 10.098 ( 0.000 -2.888 -7.658) 8.184 10.704 ( 0.000 0.607 -3.213) 3.270 10.791 ( 0.000 4.513 -0.886) 4.600 10.848 ( 0.000 7.268 -7.440) 10.400 11.470 ( 0.000 -11.336 -18.692) 21.861 11.980 ( 0.000 -15.152 2.291) 15.324 12.634 ( 0.000 -18.419 -10.772) 21.338 12.663 ( 0.000 8.931 11.283) 14.390 12.884 ( 0.000 12.376 13.122) 18.037 13.017 ( 0.000 -3.857 6.055) 7.179 13.154 ( 0.000 0.149 14.192) 14.193 13.261 ( 0.000 3.677 -1.596) 4.008 13.439 ( 0.000 2.052 -7.510) 7.785 13.671 ( 0.000 0.914 -2.069) 2.262 13.788 ( 0.000 -4.135 -0.799) 4.212 13.891 ( 0.000 -4.400 1.173) 4.553 14.722 ( 0.000 7.965 -6.917) 10.549 15.074 ( 0.000 2.846 4.239) 5.106 15.142 ( 0.000 1.525 4.115) 4.388 15.346 ( 0.000 1.982 2.680) 3.333 15.793 ( 0.000 -2.422 -6.725) 7.148 15.838 ( 0.000 -5.492 0.069) 5.493 15.928 ( 0.000 -2.173 0.298) 2.193 17.338 ( 0.000 3.355 -8.416) 9.060 17.623 ( 0.000 -0.747 -10.550) 10.577 18.080 ( 0.000 -3.216 0.386) 3.239 18.166 ( 0.000 -24.952 7.734) 26.123 23.695 ( 0.000 5.684 3.663) 6.762 24.090 ( 0.000 43.441 -16.214) 46.369 24.325 ( 0.000 3.269 -4.118) 5.258 24.398 ( 0.000 -2.822 -1.272) 3.095 24.625 ( 0.000 3.600 0.863) 3.702 24.731 ( 0.000 10.748 -1.190) 10.814 24.754 ( 0.000 -2.211 3.713) 4.321 24.849 ( 0.000 -0.743 1.578) 1.745 26.248 ( 0.000 0.255 6.560) 6.565 26.730 ( 0.000 1.821 1.542) 2.387 27.037 ( 0.000 -0.300 4.763) 4.773 28.588 ( 0.000 -5.919 -5.542) 8.108 29.041 ( 0.000 -8.781 3.574) 9.481 29.078 ( 0.000 1.027 7.079) 7.153 29.416 ( 0.000 -2.968 11.267) 11.652 30.669 ( 0.000 -21.334 -3.107) 21.559 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 11.815 16.703 25.849) 32.966 1.815 ( 14.772 15.341 23.362) 31.613 2.627 ( -2.769 7.442 22.927) 24.263 2.799 ( -17.249 15.012 11.505) 25.598 3.022 ( 10.142 10.362 26.948) 30.601 3.550 ( 14.271 9.042 1.254) 16.941 3.699 ( -2.229 -5.313 -5.924) 8.264 3.859 ( -2.361 -4.602 -0.864) 5.244 4.125 ( -12.778 -0.865 0.300) 12.811 4.269 ( -6.601 -0.635 -2.906) 7.240 4.519 ( 7.509 -0.897 -1.913) 7.801 4.795 ( -1.995 9.435 0.064) 9.644 4.870 ( -1.865 5.129 -3.271) 6.363 4.945 ( -0.082 8.430 -1.673) 8.595 5.147 ( 4.838 3.062 -3.199) 6.559 5.318 ( 6.047 -1.018 -4.500) 7.606 5.901 ( 1.014 1.403 25.156) 25.216 6.086 ( 0.412 8.279 -0.314) 8.296 6.180 ( -0.939 9.464 -1.043) 9.568 6.248 ( -4.501 -2.102 4.417) 6.647 6.321 ( -2.484 1.688 4.985) 5.820 6.370 ( -3.071 3.098 0.447) 4.385 6.494 ( -0.279 1.343 -6.519) 6.661 6.620 ( -5.439 -2.148 -5.569) 8.075 6.743 ( -3.587 3.394 6.870) 8.460 6.877 ( 1.710 -5.251 -3.681) 6.637 7.313 ( -4.042 13.279 -0.129) 13.881 7.411 ( -0.176 2.422 -6.147) 6.610 7.726 ( 11.470 -2.732 -3.103) 12.193 7.920 ( 1.171 1.816 -4.190) 4.714 8.187 ( -5.520 -0.673 -10.427) 11.818 8.392 ( 1.260 -1.629 -8.511) 8.757 8.448 ( -0.609 -0.139 1.976) 2.073 8.579 ( -0.437 6.368 -0.254) 6.388 8.607 ( -2.862 1.841 -0.314) 3.418 8.796 ( -1.856 -0.413 -9.513) 9.701 9.014 ( 14.147 -5.705 -8.978) 17.700 9.470 ( -1.010 -9.712 -0.400) 9.772 9.782 ( 7.127 -4.252 3.310) 8.935 9.915 ( 1.713 -3.241 -9.605) 10.281 10.060 ( 0.928 -0.302 -3.916) 4.036 10.099 ( 0.074 -2.702 -7.703) 8.163 10.693 ( -0.932 -1.110 -3.692) 3.967 10.765 ( -2.167 4.485 -0.478) 5.004 10.876 ( 2.794 6.438 -8.522) 11.040 11.358 ( -10.186 -9.635 -16.584) 21.717 12.055 ( 6.824 -14.510 0.201) 16.036 12.524 ( -7.914 -13.214 -1.412) 15.467 12.701 ( 1.739 7.498 6.888) 10.329 12.888 ( -3.680 8.205 9.656) 13.195 12.985 ( 2.852 0.353 2.348) 3.711 13.164 ( 0.421 -0.649 11.095) 11.122 13.303 ( 2.225 1.523 3.708) 4.584 13.404 ( -3.536 3.508 -8.806) 10.117 13.668 ( 2.558 -2.196 -1.268) 3.602 13.872 ( -1.138 -4.510 0.892) 4.736 13.934 ( 10.494 -0.679 0.775) 10.545 14.647 ( -8.590 8.470 -4.107) 12.743 15.081 ( 0.595 2.190 4.394) 4.946 15.128 ( -1.542 0.798 5.070) 5.359 15.342 ( 1.784 1.023 2.477) 3.219 15.758 ( -5.268 -3.010 -2.781) 6.674 15.807 ( -0.008 -2.900 -2.039) 3.545 15.927 ( -1.430 -3.265 -1.115) 3.735 17.337 ( 0.091 3.217 -8.116) 8.731 17.538 ( -6.869 -0.733 -7.431) 10.146 18.097 ( 1.819 -4.451 0.528) 4.837 18.188 ( 1.084 -18.710 3.179) 19.009 23.694 ( 0.076 7.203 3.520) 8.018 23.945 ( -10.439 30.509 -6.165) 32.830 24.358 ( 2.613 4.975 -4.721) 7.340 24.445 ( 2.470 2.101 -4.338) 5.416 24.629 ( 0.463 3.759 0.700) 3.852 24.716 ( -1.523 9.710 -0.840) 9.865 24.757 ( 0.559 -2.043 3.772) 4.326 24.840 ( -0.973 -0.908 1.866) 2.292 26.296 ( 5.120 0.878 6.555) 8.364 26.757 ( -2.750 3.137 5.079) 6.573 27.172 ( 16.710 -2.731 -3.732) 17.338 28.406 ( -17.364 -7.170 -6.039) 19.733 28.962 ( -0.566 -1.495 8.864) 9.007 29.098 ( -0.933 0.731 8.063) 8.149 29.673 ( 19.845 -8.412 2.698) 21.723 30.580 ( -8.849 -18.985 -2.505) 21.096 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 19.528 15.968 20.558) 32.542 2.138 ( 17.590 8.869 21.005) 28.797 2.422 ( -19.000 15.075 13.584) 27.799 2.467 ( -15.092 7.723 19.640) 25.945 3.331 ( 19.007 6.517 17.136) 26.408 3.629 ( -9.166 -0.963 -3.150) 9.740 3.792 ( 1.420 -1.310 -1.417) 2.396 3.841 ( 12.833 5.282 2.021) 14.024 3.898 ( -8.975 -0.210 3.746) 9.727 4.098 ( -11.467 5.797 0.191) 12.850 4.650 ( 6.803 -0.464 0.822) 6.868 4.766 ( -3.298 2.774 1.312) 4.505 4.848 ( -0.619 6.545 -2.100) 6.902 4.869 ( -4.458 7.784 -2.083) 9.209 5.277 ( 7.609 -0.997 -3.745) 8.539 5.375 ( -1.361 -1.984 -3.893) 4.576 5.983 ( 6.756 3.639 14.391) 16.309 6.092 ( -2.335 5.744 -0.185) 6.203 6.156 ( 1.335 4.107 9.303) 10.257 6.194 ( -0.400 6.999 0.762) 7.052 6.247 ( -4.366 4.496 3.224) 7.048 6.274 ( -5.945 2.877 0.429) 6.618 6.504 ( 0.715 2.290 -3.472) 4.220 6.540 ( -3.151 0.559 -4.306) 5.365 6.719 ( 2.795 1.455 7.740) 8.357 6.821 ( -6.186 -0.172 2.962) 6.861 7.317 ( 3.668 6.054 -4.860) 8.586 7.387 ( -2.680 2.456 -7.114) 7.989 7.928 ( 5.996 -3.081 -6.284) 9.216 7.944 ( 1.262 0.267 -6.788) 6.910 8.134 ( 2.849 -1.810 -8.357) 9.013 8.287 ( -9.350 -4.135 -5.128) 11.438 8.489 ( 3.163 0.984 1.337) 3.573 8.549 ( -3.108 1.664 1.767) 3.943 8.636 ( 5.178 5.301 -4.969) 8.922 8.734 ( -4.521 2.219 -7.445) 8.989 9.263 ( 10.861 -8.891 -7.733) 16.025 9.415 ( -5.195 -10.252 -5.044) 12.551 9.907 ( 4.804 -3.219 -1.104) 5.887 9.947 ( 0.598 -1.753 -3.693) 4.131 10.081 ( 1.108 -0.640 -5.595) 5.740 10.096 ( -0.453 -1.884 -7.432) 7.680 10.687 ( 0.793 -2.241 -2.622) 3.540 10.721 ( -2.314 1.506 -0.232) 2.770 10.965 ( 6.945 3.125 -12.321) 14.484 11.142 ( -11.242 -3.971 -15.064) 19.212 12.205 ( 8.406 -13.692 -0.967) 16.095 12.366 ( -8.442 -13.292 -0.606) 15.758 12.739 ( 2.464 9.174 8.145) 12.513 12.800 ( -4.109 8.465 8.412) 12.621 13.084 ( 5.562 -1.337 0.312) 5.729 13.158 ( -1.733 -2.984 6.667) 7.507 13.320 ( -0.002 2.915 3.675) 4.690 13.336 ( -2.517 5.112 -4.824) 7.466 13.750 ( 4.925 -2.302 -0.756) 5.489 13.830 ( -3.196 -2.993 0.157) 4.381 14.152 ( 12.232 2.561 3.711) 13.037 14.410 ( -14.510 6.944 2.551) 16.287 15.092 ( 0.524 1.070 4.884) 5.028 15.104 ( -0.786 -0.071 5.456) 5.513 15.450 ( 8.715 -0.407 -0.478) 8.738 15.624 ( -8.551 -1.871 -1.795) 8.936 15.826 ( 1.847 -2.699 -2.061) 3.866 15.876 ( -3.189 -3.151 -1.653) 4.779 17.355 ( 2.075 2.431 -7.434) 8.092 17.421 ( -4.909 0.867 -6.606) 8.276 18.142 ( 2.621 -6.865 -0.062) 7.349 18.184 ( -1.472 -11.332 0.108) 11.428 23.710 ( 1.994 11.393 2.975) 11.943 23.783 ( -6.053 18.701 0.841) 19.674 24.414 ( 2.931 4.561 -4.644) 7.139 24.456 ( -1.138 3.821 -4.695) 6.160 24.646 ( 1.400 5.026 0.364) 5.230 24.680 ( -2.008 7.410 -0.121) 7.678 24.779 ( 1.654 -1.634 3.247) 3.994 24.813 ( -1.729 -1.247 2.501) 3.286 26.436 ( 9.129 1.938 6.729) 11.505 26.621 ( -9.606 2.831 6.973) 12.203 27.582 ( 23.447 -4.563 -8.463) 25.341 28.019 ( -22.139 -6.043 -6.938) 23.975 29.000 ( 3.275 0.416 8.876) 9.470 29.061 ( -2.789 0.964 8.622) 9.113 30.044 ( 18.224 -11.665 -1.372) 21.681 30.355 ( -14.354 -14.860 -1.990) 20.756 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.000 18.015 19.799) 26.768 2.115 ( 0.000 19.753 22.818) 30.180 2.870 ( 0.000 11.133 10.076) 15.015 3.255 ( 0.000 11.424 19.145) 22.294 3.384 ( 0.000 18.375 6.649) 19.541 3.458 ( 0.000 -2.947 2.705) 4.000 3.634 ( 0.000 7.914 5.634) 9.715 3.808 ( 0.000 0.376 1.787) 1.826 4.159 ( 0.000 -11.053 0.855) 11.086 4.375 ( 0.000 2.102 5.601) 5.983 4.419 ( 0.000 6.786 -6.767) 9.583 4.964 ( 0.000 -1.383 3.083) 3.379 4.997 ( 0.000 2.736 -4.223) 5.032 5.167 ( 0.000 6.398 -5.430) 8.391 5.253 ( 0.000 16.366 -2.911) 16.623 5.295 ( 0.000 8.914 -4.057) 9.794 5.945 ( 0.000 5.657 19.385) 20.193 6.046 ( 0.000 -9.883 7.543) 12.433 6.266 ( 0.000 -0.807 1.164) 1.417 6.296 ( 0.000 -4.347 -2.203) 4.873 6.476 ( 0.000 2.819 -0.695) 2.904 6.498 ( 0.000 11.339 2.219) 11.554 6.562 ( 0.000 -6.075 -4.934) 7.826 6.623 ( 0.000 11.698 -5.860) 13.083 6.838 ( 0.000 0.689 -2.237) 2.341 6.857 ( 0.000 7.467 -4.540) 8.739 7.511 ( 0.000 -0.800 -0.377) 0.884 7.535 ( 0.000 9.850 -4.425) 10.798 7.726 ( 0.000 11.675 0.554) 11.688 7.942 ( 0.000 0.090 2.496) 2.498 8.246 ( 0.000 -1.553 -7.102) 7.270 8.313 ( 0.000 -2.387 -9.757) 10.044 8.473 ( 0.000 0.328 -3.696) 3.711 8.595 ( 0.000 -5.152 -5.052) 7.216 8.717 ( 0.000 -5.912 -5.096) 7.806 8.801 ( 0.000 11.163 3.675) 11.752 8.846 ( 0.000 3.278 -4.345) 5.443 9.293 ( 0.000 -6.153 -1.978) 6.463 9.599 ( 0.000 -5.632 -1.488) 5.825 9.797 ( 0.000 -5.732 -11.208) 12.589 9.975 ( 0.000 -8.218 -6.628) 10.558 10.006 ( 0.000 -3.919 -0.730) 3.986 10.614 ( 0.000 -6.247 -2.906) 6.890 10.841 ( 0.000 -3.100 -1.638) 3.506 11.114 ( 0.000 14.727 -5.853) 15.848 11.258 ( 0.000 -4.982 -17.842) 18.525 11.707 ( 0.000 -10.587 -2.730) 10.933 12.281 ( 0.000 -15.418 -9.459) 18.088 12.860 ( 0.000 10.641 8.745) 13.774 12.956 ( 0.000 -1.497 6.599) 6.766 13.087 ( 0.000 5.999 12.456) 13.826 13.157 ( 0.000 0.297 1.779) 1.804 13.301 ( 0.000 0.003 -2.944) 2.944 13.458 ( 0.000 -4.004 1.150) 4.166 13.606 ( 0.000 -5.686 0.685) 5.727 13.792 ( 0.000 -6.326 2.380) 6.759 13.805 ( 0.000 10.287 4.893) 11.391 14.831 ( 0.000 1.480 -1.199) 1.905 15.142 ( 0.000 3.343 2.990) 4.485 15.180 ( 0.000 1.786 1.361) 2.245 15.407 ( 0.000 3.581 1.138) 3.758 15.718 ( 0.000 -4.962 1.103) 5.083 15.726 ( 0.000 -3.889 -6.185) 7.306 15.866 ( 0.000 -3.702 0.127) 3.704 17.433 ( 0.000 5.506 -7.485) 9.293 17.602 ( 0.000 -1.241 -9.420) 9.501 17.760 ( 0.000 -13.021 5.700) 14.214 17.989 ( 0.000 -5.379 -1.021) 5.475 23.840 ( 0.000 8.542 3.762) 9.334 24.331 ( 0.000 0.124 -0.259) 0.287 24.432 ( 0.000 1.704 -0.300) 1.730 24.664 ( 0.000 -1.863 2.038) 2.761 24.725 ( 0.000 3.427 0.041) 3.428 24.826 ( 0.000 0.459 -0.301) 0.549 24.913 ( 0.000 29.425 -24.378) 38.212 24.977 ( 0.000 11.382 -2.433) 11.640 26.276 ( 0.000 3.079 5.017) 5.887 26.760 ( 0.000 0.067 -1.651) 1.653 27.064 ( 0.000 4.112 5.462) 6.837 28.335 ( 0.000 -17.864 -4.021) 18.311 28.924 ( 0.000 -1.536 10.301) 10.415 29.109 ( 0.000 1.792 6.622) 6.860 29.341 ( 0.000 -3.640 11.160) 11.739 30.201 ( 0.000 -22.125 3.679) 22.429 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 11.681 16.981 18.977) 28.016 2.200 ( 8.469 18.159 21.465) 29.364 2.824 ( -5.108 11.032 10.190) 15.863 3.138 ( -16.770 15.912 9.691) 25.067 3.306 ( 4.925 5.414 12.048) 14.098 3.596 ( 3.448 -5.650 2.640) 7.126 3.687 ( 7.808 11.311 6.795) 15.332 3.834 ( 1.500 3.306 -0.358) 3.648 4.131 ( -4.761 -6.557 -2.557) 8.497 4.204 ( -6.922 4.012 5.680) 9.812 4.571 ( 8.005 4.862 -0.839) 9.404 4.889 ( -4.747 3.201 1.104) 5.831 4.982 ( -0.363 1.496 -1.358) 2.053 5.185 ( -2.778 8.781 -2.883) 9.651 5.262 ( 1.672 10.008 -3.515) 10.738 5.356 ( 4.772 7.929 -2.801) 9.669 5.984 ( 4.244 6.829 15.760) 17.693 6.064 ( 2.216 -8.082 7.654) 11.350 6.223 ( -2.052 -1.189 -0.105) 2.374 6.291 ( -2.123 -1.525 0.386) 2.643 6.454 ( -2.766 1.756 -0.663) 3.343 6.475 ( -3.352 10.366 1.046) 10.944 6.535 ( -0.055 -0.592 -2.181) 2.260 6.640 ( 0.817 9.568 -4.430) 10.575 6.796 ( -3.312 2.165 -0.287) 3.967 6.874 ( 1.065 5.666 -5.664) 8.082 7.493 ( -1.236 5.681 -4.480) 7.340 7.597 ( -1.357 11.012 0.603) 11.111 7.678 ( 2.867 1.008 -1.175) 3.258 7.943 ( -0.285 -0.845 -0.625) 1.089 8.177 ( -4.523 -0.406 -7.885) 9.099 8.368 ( 1.471 -0.415 -6.802) 6.972 8.373 ( -5.382 -5.021 -4.297) 8.523 8.586 ( -2.352 -3.053 -2.862) 4.800 8.769 ( 3.532 -4.896 -1.899) 6.328 8.799 ( 0.085 11.722 2.739) 12.038 8.928 ( 7.495 -0.300 -6.799) 10.124 9.271 ( -2.330 -6.798 -2.974) 7.777 9.679 ( 7.543 -5.628 -3.581) 10.069 9.847 ( 4.631 -3.866 -9.622) 11.356 9.975 ( -0.067 -8.581 -6.496) 10.763 10.016 ( 0.903 -3.836 -0.739) 4.009 10.576 ( -3.444 -7.604 -4.414) 9.443 10.784 ( -6.142 -6.136 -1.877) 8.882 11.104 ( -0.124 12.188 -8.084) 14.626 11.231 ( -2.271 1.802 -16.458) 16.712 11.782 ( 6.922 -11.428 -3.186) 13.735 12.222 ( -5.566 -14.245 -7.229) 16.916 12.883 ( 2.059 9.963 6.956) 12.324 12.942 ( -0.328 0.175 6.554) 6.564 13.093 ( -0.797 6.203 8.705) 10.718 13.143 ( -0.951 -0.587 6.792) 6.884 13.322 ( 1.735 -0.658 -2.831) 3.385 13.468 ( -1.922 0.379 -0.602) 2.050 13.558 ( 1.464 -7.436 0.720) 7.613 13.770 ( -1.214 -5.872 2.428) 6.469 13.982 ( 13.491 7.572 4.988) 16.255 14.804 ( -4.507 5.256 -2.147) 7.249 15.104 ( -3.350 -0.046 4.784) 5.841 15.163 ( -2.351 2.151 3.004) 4.379 15.379 ( 0.061 2.690 1.564) 3.112 15.682 ( -3.485 -3.657 -1.527) 5.277 15.736 ( 0.716 -3.591 -3.149) 4.830 15.843 ( -2.373 -4.642 -0.428) 5.231 17.429 ( -0.327 5.430 -7.408) 9.191 17.524 ( -4.935 -0.329 -6.108) 7.860 17.849 ( 5.951 -12.011 0.990) 13.442 17.991 ( 0.088 -6.241 -1.242) 6.364 23.866 ( 2.754 9.383 3.444) 10.367 24.269 ( -6.631 3.993 -0.926) 7.796 24.456 ( 2.509 2.244 -0.752) 3.449 24.667 ( -0.694 -3.295 2.515) 4.203 24.727 ( 0.136 7.819 -3.548) 8.588 24.807 ( -3.040 9.726 -5.365) 11.516 24.829 ( -3.505 12.242 -6.718) 14.397 24.944 ( -3.371 10.642 -2.020) 11.344 26.342 ( 6.683 4.153 4.672) 9.151 26.854 ( 0.666 5.621 1.286) 5.805 27.099 ( 10.354 -3.452 -1.610) 11.032 28.171 ( -15.000 -15.202 -3.839) 21.699 28.948 ( 2.989 0.671 9.620) 10.096 29.133 ( -0.001 2.755 7.672) 8.151 29.475 ( 13.092 -9.673 7.466) 17.908 30.148 ( -5.544 -21.055 3.355) 22.030 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 16.949 14.435 17.761) 28.480 2.397 ( 10.352 14.154 19.029) 25.876 2.684 ( -8.129 14.020 11.962) 20.143 2.788 ( -18.513 17.269 12.418) 28.199 3.432 ( 7.958 -3.040 1.396) 8.632 3.579 ( -5.641 -5.788 -0.988) 8.142 3.799 ( 3.370 5.549 5.034) 8.215 3.869 ( -1.135 -0.143 0.754) 1.370 4.049 ( 3.431 7.325 1.326) 8.197 4.150 ( -3.263 4.002 6.110) 8.000 4.704 ( 6.043 5.473 1.465) 8.284 4.806 ( -4.599 4.272 2.188) 6.647 5.001 ( 2.561 5.378 0.453) 5.974 5.085 ( -6.068 9.179 -0.181) 11.005 5.316 ( 3.880 6.123 -2.414) 7.641 5.384 ( -2.110 4.995 -2.080) 5.808 6.071 ( 4.527 2.529 9.112) 10.484 6.164 ( -0.904 1.757 10.068) 10.260 6.176 ( 4.295 0.001 0.690) 4.351 6.266 ( 0.253 -0.131 4.891) 4.900 6.364 ( -3.963 1.270 -2.408) 4.808 6.402 ( -4.988 7.753 -4.678) 10.338 6.565 ( 2.498 4.516 0.787) 5.220 6.619 ( -2.902 5.695 -0.646) 6.424 6.783 ( 2.897 6.457 -0.606) 7.103 6.858 ( -3.228 5.294 -4.325) 7.560 7.475 ( -0.112 7.506 -3.050) 8.103 7.506 ( -3.610 10.528 -0.234) 11.132 7.828 ( 7.826 -6.230 -3.774) 10.691 7.921 ( -2.318 -3.767 -3.624) 5.719 8.124 ( 0.219 0.674 -6.769) 6.806 8.211 ( -7.955 -2.013 -6.219) 10.296 8.454 ( 4.622 -3.017 -2.303) 5.980 8.531 ( -3.384 -2.803 -1.377) 4.605 8.800 ( 0.426 4.179 1.336) 4.408 8.805 ( 0.184 4.368 -0.688) 4.426 9.082 ( 7.648 -5.315 -6.715) 11.481 9.203 ( -4.941 -7.196 -4.976) 10.048 9.835 ( 7.343 -4.393 -6.761) 10.905 9.913 ( -0.069 -2.165 -7.900) 8.192 9.987 ( 2.251 -7.629 -3.932) 8.873 10.027 ( -0.589 -3.631 -0.670) 3.739 10.533 ( 0.828 -10.840 -6.638) 12.738 10.632 ( -8.321 -10.368 -4.571) 14.058 11.128 ( 2.413 10.514 -11.275) 15.604 11.182 ( -2.886 8.211 -13.918) 16.416 11.935 ( 8.513 -12.144 -3.876) 15.329 12.092 ( -7.755 -12.849 -4.870) 15.778 12.923 ( 2.013 9.215 6.523) 11.468 12.947 ( -0.058 5.258 6.853) 8.638 13.075 ( 0.223 1.664 6.333) 6.552 13.110 ( -2.547 -1.100 8.161) 8.620 13.358 ( 2.129 -0.256 -2.415) 3.230 13.406 ( -3.031 0.737 -1.628) 3.518 13.650 ( 5.490 -7.323 0.858) 9.192 13.732 ( -3.007 -6.572 1.686) 7.421 14.272 ( 16.662 9.440 4.747) 19.730 14.596 ( -16.166 10.386 1.303) 19.259 15.078 ( 1.129 -2.418 5.883) 6.460 15.116 ( -2.339 0.490 4.513) 5.107 15.448 ( 6.316 0.462 -0.254) 6.338 15.583 ( -6.856 -1.801 -1.443) 7.234 15.754 ( 1.316 -3.995 -1.884) 4.608 15.791 ( -2.570 -4.887 -1.294) 5.672 17.428 ( 0.500 4.564 -7.094) 8.450 17.454 ( -2.391 2.469 -6.417) 7.279 17.941 ( 3.502 -10.527 -0.990) 11.138 17.984 ( -1.142 -8.303 -1.468) 8.509 23.951 ( 6.340 11.035 2.239) 12.922 24.104 ( -9.357 10.408 0.005) 13.996 24.519 ( 3.852 3.134 -1.452) 5.174 24.600 ( -4.689 3.955 -1.979) 6.446 24.750 ( 2.218 6.870 -2.938) 7.794 24.788 ( -0.922 2.422 -0.009) 2.592 24.802 ( 1.211 5.923 0.244) 6.050 24.865 ( -4.334 8.050 -0.274) 9.147 26.513 ( 10.644 5.949 4.577) 13.025 26.722 ( -10.581 7.281 4.806) 13.713 27.442 ( 20.984 -8.858 -7.505) 23.981 27.833 ( -19.619 -11.743 -5.706) 23.567 29.024 ( 4.392 2.169 8.906) 10.164 29.099 ( -3.186 2.960 8.543) 9.586 29.752 ( 14.430 -15.160 3.718) 21.257 29.993 ( -10.573 -18.520 2.897) 21.521 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.000 19.216 11.608) 22.450 2.490 ( 0.000 16.879 18.018) 24.689 3.065 ( 0.000 -1.327 0.826) 1.563 3.193 ( 0.000 2.283 7.379) 7.725 3.257 ( 0.000 -13.899 5.990) 15.135 3.729 ( 0.000 14.290 4.487) 14.978 3.755 ( 0.000 -10.762 -4.536) 11.679 3.993 ( 0.000 -1.835 11.107) 11.257 4.123 ( 0.000 24.589 11.295) 27.059 4.456 ( 0.000 6.492 10.899) 12.686 4.508 ( 0.000 -1.158 -2.723) 2.959 4.846 ( 0.000 -6.750 8.216) 10.633 5.136 ( 0.000 11.344 -3.395) 11.842 5.275 ( 0.000 6.748 -5.247) 8.548 5.495 ( 0.000 7.449 -4.931) 8.933 5.577 ( 0.000 11.241 -3.799) 11.866 5.818 ( 0.000 -10.577 3.886) 11.268 6.072 ( 0.000 -11.055 0.505) 11.067 6.151 ( 0.000 9.147 4.870) 10.363 6.228 ( 0.000 -1.309 0.166) 1.320 6.420 ( 0.000 -7.174 0.483) 7.191 6.508 ( 0.000 -1.056 4.515) 4.637 6.682 ( 0.000 4.667 2.228) 5.171 6.748 ( 0.000 -1.284 -1.080) 1.678 6.954 ( 0.000 12.292 -7.410) 14.353 7.125 ( 0.000 15.668 -2.222) 15.825 7.457 ( 0.000 -3.005 -2.563) 3.949 7.784 ( 0.000 9.274 -3.303) 9.844 7.880 ( 0.000 -2.785 5.935) 6.556 7.931 ( 0.000 7.193 -0.287) 7.199 8.205 ( 0.000 -7.245 -8.479) 11.153 8.231 ( 0.000 -0.429 -2.451) 2.488 8.471 ( 0.000 -5.341 -5.934) 7.984 8.534 ( 0.000 3.662 -1.257) 3.872 8.607 ( 0.000 -3.231 -6.119) 6.920 8.829 ( 0.000 -4.862 -0.822) 4.931 9.064 ( 0.000 13.971 1.774) 14.083 9.295 ( 0.000 5.208 -6.718) 8.501 9.488 ( 0.000 -4.618 -9.342) 10.421 9.638 ( 0.000 -10.230 -5.282) 11.513 9.804 ( 0.000 -6.683 -11.657) 13.437 9.896 ( 0.000 -6.476 -0.173) 6.479 10.509 ( 0.000 -2.984 0.153) 2.988 10.667 ( 0.000 -10.047 -2.537) 10.362 11.284 ( 0.000 4.267 -14.366) 14.986 11.368 ( 0.000 6.800 -4.095) 7.937 11.581 ( 0.000 0.770 -10.921) 10.948 11.993 ( 0.000 -12.717 -9.843) 16.082 12.969 ( 0.000 2.918 6.336) 6.975 13.092 ( 0.000 10.577 7.638) 13.047 13.160 ( 0.000 1.495 -0.136) 1.501 13.186 ( 0.000 3.479 6.372) 7.260 13.272 ( 0.000 -2.249 -3.987) 4.578 13.316 ( 0.000 -6.422 3.139) 7.148 13.475 ( 0.000 -6.835 3.410) 7.639 13.611 ( 0.000 -10.914 3.579) 11.485 14.138 ( 0.000 18.693 9.505) 20.971 14.762 ( 0.000 -8.310 6.167) 10.348 15.200 ( 0.000 2.040 2.415) 3.162 15.209 ( 0.000 1.076 1.440) 1.797 15.478 ( 0.000 3.274 -0.587) 3.326 15.640 ( 0.000 -4.348 -5.353) 6.897 15.669 ( 0.000 0.241 -1.414) 1.434 15.783 ( 0.000 -4.076 -0.339) 4.090 17.540 ( 0.000 2.964 -4.524) 5.409 17.575 ( 0.000 -1.317 -7.737) 7.849 17.622 ( 0.000 0.232 -2.522) 2.533 17.865 ( 0.000 -6.537 -2.767) 7.099 24.036 ( 0.000 10.015 3.510) 10.612 24.368 ( 0.000 3.249 0.726) 3.329 24.392 ( 0.000 -5.292 2.686) 5.934 24.572 ( 0.000 -5.415 2.505) 5.967 24.813 ( 0.000 3.765 0.854) 3.860 24.854 ( 0.000 1.589 -0.705) 1.738 25.197 ( 0.000 9.350 -4.791) 10.506 25.303 ( 0.000 8.759 -18.261) 20.253 26.392 ( 0.000 7.940 0.187) 7.942 26.707 ( 0.000 -5.010 -3.036) 5.858 27.235 ( 0.000 12.169 3.877) 12.772 27.931 ( 0.000 -19.947 0.497) 19.954 28.947 ( 0.000 2.980 9.208) 9.678 29.112 ( 0.000 -2.600 6.754) 7.237 29.326 ( 0.000 3.825 10.228) 10.919 29.791 ( 0.000 -17.409 6.115) 18.452 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 9.412 18.156 11.168) 23.302 2.558 ( 6.741 16.792 17.230) 24.986 3.065 ( -1.397 8.156 1.817) 8.472 3.168 ( 0.040 -7.534 5.627) 9.403 3.289 ( 1.053 -8.657 6.627) 10.953 3.523 ( -14.125 7.615 4.560) 16.682 3.748 ( -3.698 -11.214 -0.169) 11.810 3.951 ( -7.460 -4.387 4.723) 9.859 4.197 ( 6.604 21.033 9.493) 24.003 4.386 ( -0.129 11.663 5.742) 13.001 4.637 ( 7.434 -0.545 3.660) 8.305 4.857 ( 0.625 -5.722 7.284) 9.283 5.113 ( -0.086 13.193 -1.662) 13.298 5.296 ( 0.053 6.185 -3.133) 6.933 5.480 ( -0.846 7.627 -4.808) 9.056 5.574 ( -1.358 6.839 -3.561) 7.829 5.890 ( 7.677 -6.413 4.227) 10.860 6.068 ( 0.613 -7.428 0.027) 7.453 6.211 ( 5.737 8.539 4.976) 11.428 6.234 ( -0.774 -1.900 -1.015) 2.289 6.382 ( -3.294 -5.776 2.680) 7.169 6.534 ( 1.722 -0.392 2.468) 3.035 6.645 ( -2.952 3.563 1.292) 4.804 6.710 ( -3.547 -1.781 -0.552) 4.007 6.977 ( 2.182 13.559 -5.004) 14.617 7.122 ( -0.653 16.057 -3.318) 16.410 7.489 ( 3.113 -5.117 -2.133) 6.358 7.761 ( -2.207 5.646 -2.118) 6.421 7.830 ( -4.690 0.790 3.509) 5.910 7.898 ( -3.139 6.581 -0.287) 7.297 8.156 ( -2.887 -3.288 -5.727) 7.207 8.249 ( -0.789 -5.195 -3.296) 6.203 8.404 ( -2.838 1.157 -4.775) 5.674 8.539 ( -2.283 1.477 -5.268) 5.928 8.614 ( 2.360 -7.995 0.121) 8.337 8.828 ( -1.411 -7.224 -0.847) 7.409 9.104 ( 3.815 14.553 -0.732) 15.062 9.285 ( -1.108 6.651 -6.700) 9.506 9.558 ( 6.873 -5.888 -10.501) 13.863 9.704 ( 5.256 -11.609 -3.021) 13.096 9.817 ( 2.017 -4.192 -12.753) 13.575 9.916 ( 2.370 -5.572 -0.393) 6.068 10.442 ( -6.618 -4.249 -1.741) 8.055 10.580 ( -8.423 -10.276 -3.867) 13.838 11.288 ( 1.389 6.955 -12.376) 14.264 11.408 ( 1.852 9.275 -8.052) 12.422 11.605 ( 3.308 -4.445 -8.950) 10.526 11.950 ( -4.265 -12.219 -8.946) 15.733 12.977 ( 1.497 3.716 6.812) 7.902 13.106 ( 1.145 10.727 5.910) 12.301 13.160 ( -0.581 2.248 -0.557) 2.388 13.192 ( -0.333 4.217 9.783) 10.659 13.270 ( 0.471 -3.882 -1.399) 4.153 13.365 ( 4.891 -7.119 -0.052) 8.638 13.433 ( -3.618 -5.556 3.209) 7.366 13.599 ( -1.243 -10.512 3.390) 11.115 14.252 ( 11.012 16.281 8.224) 21.307 14.803 ( 3.959 -6.201 5.042) 8.919 15.119 ( -7.952 2.227 2.619) 8.664 15.191 ( -3.121 0.339 2.588) 4.069 15.452 ( -0.903 4.305 -0.254) 4.406 15.621 ( -1.733 -2.652 -3.624) 4.813 15.672 ( 0.020 -2.077 -2.338) 3.127 15.744 ( -3.669 -4.652 -0.315) 5.933 17.525 ( -0.780 1.997 -5.348) 5.762 17.560 ( -1.031 5.419 -6.424) 8.468 17.677 ( 4.204 -5.245 -3.363) 7.516 17.855 ( -1.123 -6.906 -2.886) 7.569 24.068 ( 3.395 10.021 3.110) 11.029 24.344 ( -2.600 4.262 0.636) 5.033 24.420 ( 2.760 -5.338 2.403) 6.472 24.567 ( -0.580 -5.644 2.366) 6.147 24.831 ( 1.945 3.847 0.778) 4.380 24.859 ( 0.754 2.418 -0.923) 2.696 25.130 ( -6.650 8.469 -4.410) 11.635 25.184 ( -9.837 9.205 -12.067) 18.086 26.481 ( 8.674 9.106 0.256) 12.578 26.867 ( 14.129 -6.048 -5.197) 16.224 27.157 ( -7.251 10.710 3.170) 13.317 27.817 ( -11.072 -18.175 -0.753) 21.296 28.994 ( 4.563 3.691 8.880) 10.644 29.188 ( 5.187 -0.226 6.347) 8.200 29.329 ( 1.845 -1.353 9.909) 10.170 29.752 ( -4.047 -16.920 5.968) 18.393 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 13.036 15.505 11.711) 23.398 2.705 ( 6.628 15.995 14.883) 22.832 2.995 ( -3.313 15.758 7.392) 17.718 3.124 ( -15.240 15.142 7.403) 22.723 3.252 ( 7.174 -11.910 1.320) 13.967 3.378 ( -3.736 -12.142 3.377) 13.145 3.676 ( -1.286 -13.726 1.103) 13.830 3.760 ( -9.252 -11.901 -0.410) 15.080 4.328 ( 6.239 18.073 6.798) 20.292 4.402 ( -0.886 15.176 5.745) 16.251 4.766 ( 5.996 -1.683 5.296) 8.175 4.847 ( -2.175 -3.500 6.455) 7.658 5.161 ( 4.539 13.227 0.348) 13.989 5.253 ( -4.229 9.630 -0.778) 10.547 5.482 ( 1.287 6.366 -3.956) 7.604 5.526 ( -2.971 4.571 -3.324) 6.385 6.052 ( 6.962 -2.375 4.129) 8.435 6.137 ( 7.574 -3.965 1.445) 8.671 6.164 ( -5.407 -1.092 1.945) 5.849 6.289 ( -6.300 -2.847 6.192) 9.281 6.359 ( 8.188 5.066 -2.642) 9.984 6.508 ( -6.003 3.905 -2.587) 7.614 6.617 ( 0.968 -1.329 2.876) 3.313 6.649 ( -2.224 -1.627 1.933) 3.366 7.029 ( 3.204 15.017 -3.483) 15.746 7.090 ( -2.746 15.751 -4.123) 16.512 7.564 ( 4.778 -5.186 -0.539) 7.072 7.674 ( -6.543 -2.932 2.127) 7.479 7.784 ( 0.921 7.305 -1.900) 7.604 7.832 ( -3.440 3.954 -1.457) 5.440 8.128 ( 0.552 -2.010 -3.910) 4.431 8.181 ( -4.538 -3.124 -3.792) 6.688 8.419 ( 3.055 0.701 -2.841) 4.230 8.482 ( -3.236 -0.022 -3.536) 4.793 8.678 ( 4.124 -9.758 0.746) 10.620 8.765 ( -4.599 -9.113 0.463) 10.219 9.185 ( 4.104 12.361 -4.736) 13.859 9.250 ( -2.666 9.428 -6.434) 11.721 9.694 ( 5.567 -9.362 -10.484) 15.118 9.749 ( -0.565 -12.341 -6.286) 13.861 9.920 ( 7.645 0.789 -4.972) 9.154 9.988 ( 3.082 -0.038 -1.860) 3.600 10.307 ( -4.453 -9.696 -6.205) 12.343 10.387 ( -10.267 -11.519 -6.666) 16.808 11.338 ( 3.408 9.563 -11.783) 15.554 11.398 ( -2.458 11.090 -11.202) 15.954 11.711 ( 7.023 -9.560 -6.983) 13.765 11.844 ( -6.547 -11.156 -7.561) 14.983 13.034 ( 4.182 4.493 7.560) 9.738 13.114 ( -2.977 7.127 5.948) 9.748 13.138 ( 0.694 6.197 4.595) 7.746 13.166 ( -1.707 5.945 5.006) 7.957 13.300 ( 2.547 -5.003 -0.232) 5.619 13.360 ( -3.591 -4.745 1.384) 6.110 13.475 ( 5.539 -8.816 1.388) 10.504 13.559 ( -3.166 -9.906 2.595) 10.719 14.517 ( 15.977 13.252 5.519) 21.479 14.806 ( -10.797 8.944 1.723) 14.126 14.990 ( 2.167 -5.803 6.485) 8.968 15.100 ( -6.147 -2.440 3.998) 7.729 15.480 ( 3.525 2.768 -0.615) 4.524 15.564 ( -4.444 0.189 -1.777) 4.789 15.669 ( -0.102 -4.160 -1.981) 4.608 15.682 ( -1.882 -5.347 -1.012) 5.758 17.522 ( 0.466 4.195 -6.027) 7.358 17.539 ( -1.096 5.939 -6.230) 8.677 17.757 ( 3.943 -7.435 -3.332) 9.051 17.820 ( -2.585 -7.542 -3.127) 8.564 24.158 ( 5.730 9.315 1.995) 11.117 24.268 ( -5.260 6.891 0.877) 8.713 24.484 ( 3.598 -5.414 1.935) 6.782 24.542 ( -2.211 -5.748 1.998) 6.475 24.879 ( 2.974 4.959 -1.105) 5.887 24.903 ( 4.326 4.575 -0.982) 6.372 24.977 ( -7.250 8.124 -3.990) 11.597 25.020 ( -7.306 5.907 -2.528) 9.730 26.690 ( 12.500 11.116 0.739) 16.744 26.926 ( -11.135 12.292 1.560) 16.659 27.224 ( 16.952 -11.986 -5.538) 21.487 27.550 ( -16.243 -15.276 -3.591) 22.585 29.097 ( 5.682 5.089 8.498) 11.419 29.191 ( -3.641 6.139 8.097) 10.794 29.462 ( 9.919 -12.439 6.817) 17.309 29.638 ( -7.897 -15.410 5.890) 18.290 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 0.000 -9.566 7.472) 12.138 2.659 ( 0.000 9.566 7.472) 12.138 2.973 ( 0.000 -9.167 9.879) 13.477 2.973 ( 0.000 9.167 9.879) 13.477 3.458 ( 0.000 -15.551 0.333) 15.555 3.458 ( 0.000 15.551 0.333) 15.555 3.946 ( 0.000 -5.890 6.115) 8.490 3.946 ( 0.000 5.890 6.115) 8.490 4.401 ( 0.000 -6.895 5.636) 8.905 4.401 ( 0.000 6.895 5.636) 8.905 4.678 ( 0.000 -11.026 8.996) 14.230 4.678 ( 0.000 11.026 8.996) 14.230 5.399 ( 0.000 -6.124 -0.777) 6.173 5.399 ( 0.000 6.124 -0.777) 6.173 5.531 ( 0.000 -0.725 -4.182) 4.245 5.531 ( 0.000 0.725 -4.182) 4.245 5.832 ( 0.000 -7.767 -4.444) 8.949 5.832 ( 0.000 7.767 -4.444) 8.949 6.272 ( 0.000 -5.871 1.671) 6.104 6.272 ( 0.000 5.871 1.671) 6.104 6.387 ( 0.000 -10.109 6.319) 11.921 6.387 ( 0.000 10.109 6.319) 11.921 6.728 ( 0.000 -0.625 -1.091) 1.257 6.728 ( 0.000 0.625 -1.091) 1.257 7.194 ( 0.000 -9.015 -2.337) 9.313 7.194 ( 0.000 9.015 -2.337) 9.313 7.595 ( 0.000 -14.934 0.903) 14.961 7.595 ( 0.000 14.934 0.903) 14.961 8.052 ( 0.000 -4.327 -5.649) 7.116 8.052 ( 0.000 4.327 -5.649) 7.116 8.113 ( 0.000 -9.959 -0.803) 9.991 8.113 ( 0.000 9.959 -0.803) 9.991 8.470 ( 0.000 -4.552 -1.213) 4.711 8.470 ( 0.000 4.552 -1.213) 4.711 8.701 ( 0.000 -6.930 -3.703) 7.858 8.701 ( 0.000 6.930 -3.703) 7.858 9.344 ( 0.000 -9.313 -5.254) 10.693 9.344 ( 0.000 9.313 -5.254) 10.693 9.430 ( 0.000 -1.532 -6.468) 6.647 9.430 ( 0.000 1.532 -6.468) 6.647 9.772 ( 0.000 -3.890 -7.195) 8.179 9.772 ( 0.000 3.890 -7.195) 8.179 10.516 ( 0.000 -3.918 -0.346) 3.933 10.516 ( 0.000 3.918 -0.346) 3.933 11.365 ( 0.000 -3.263 -9.530) 10.073 11.365 ( 0.000 3.263 -9.530) 10.073 11.747 ( 0.000 -11.254 -10.726) 15.546 11.747 ( 0.000 11.254 -10.726) 15.546 13.068 ( 0.000 -6.076 5.407) 8.134 13.068 ( 0.000 6.076 5.407) 8.134 13.229 ( 0.000 -1.598 -2.976) 3.378 13.229 ( 0.000 1.598 -2.976) 3.378 13.329 ( 0.000 -7.219 4.863) 8.704 13.329 ( 0.000 7.219 4.863) 8.704 13.368 ( 0.000 -11.643 5.357) 12.816 13.368 ( 0.000 11.643 5.357) 12.816 14.505 ( 0.000 -15.937 9.573) 18.591 14.505 ( 0.000 15.937 9.573) 18.591 15.222 ( 0.000 -0.091 2.174) 2.176 15.222 ( 0.000 0.091 2.174) 2.176 15.552 ( 0.000 -4.017 -3.436) 5.286 15.552 ( 0.000 4.017 -3.436) 5.286 15.707 ( 0.000 -3.050 -1.396) 3.354 15.707 ( 0.000 3.050 -1.396) 3.354 17.553 ( 0.000 -0.592 -5.291) 5.324 17.553 ( 0.000 0.592 -5.291) 5.324 17.726 ( 0.000 -6.732 -4.458) 8.075 17.726 ( 0.000 6.732 -4.458) 8.075 24.237 ( 0.000 -9.107 3.343) 9.701 24.237 ( 0.000 9.107 3.343) 9.701 24.459 ( 0.000 -5.214 1.649) 5.469 24.459 ( 0.000 5.214 1.649) 5.469 24.863 ( 0.000 -0.956 0.437) 1.051 24.863 ( 0.000 0.956 0.437) 1.051 25.339 ( 0.000 -3.707 -9.417) 10.120 25.339 ( 0.000 3.707 -9.417) 10.120 26.568 ( 0.000 -8.186 -2.978) 8.711 26.568 ( 0.000 8.186 -2.978) 8.711 27.543 ( 0.000 -17.300 2.224) 17.442 27.543 ( 0.000 17.300 2.224) 17.442 29.028 ( 0.000 -4.562 8.062) 9.263 29.028 ( 0.000 4.562 8.062) 9.263 29.491 ( 0.000 -11.541 8.020) 14.054 29.491 ( 0.000 11.541 8.020) 14.054 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 8.282 -9.868 7.015) 14.669 2.740 ( 8.282 9.868 7.015) 14.669 3.003 ( 3.090 -10.073 9.134) 13.944 3.003 ( 3.090 10.073 9.134) 13.944 3.414 ( -4.268 -15.077 1.394) 15.731 3.414 ( -4.268 15.077 1.394) 15.731 3.785 ( -14.590 -10.420 5.470) 18.744 3.785 ( -14.590 10.420 5.470) 18.744 4.488 ( 7.172 -7.794 5.037) 11.729 4.488 ( 7.172 7.794 5.037) 11.729 4.696 ( 1.217 -9.977 8.523) 13.179 4.696 ( 1.217 9.977 8.523) 13.179 5.407 ( 1.088 -7.355 -0.547) 7.455 5.407 ( 1.088 7.355 -0.547) 7.455 5.510 ( -1.720 -2.323 -3.909) 4.862 5.510 ( -1.720 2.323 -3.909) 4.862 5.904 ( 6.623 -5.365 -2.946) 9.018 5.904 ( 6.623 5.365 -2.946) 9.018 6.257 ( -1.718 -4.776 1.789) 5.381 6.257 ( -1.718 4.776 1.789) 5.381 6.429 ( 3.818 -9.306 5.218) 11.332 6.429 ( 3.818 9.306 5.218) 11.332 6.684 ( -4.101 -1.136 -1.114) 4.399 6.684 ( -4.101 1.136 -1.114) 4.399 7.232 ( 3.668 -9.299 -1.886) 10.172 7.232 ( 3.668 9.299 -1.886) 10.172 7.552 ( -4.303 -14.060 0.169) 14.705 7.552 ( -4.303 14.060 0.169) 14.705 8.019 ( -2.459 -8.655 -3.354) 9.603 8.019 ( -2.459 8.655 -3.354) 9.603 8.098 ( -2.054 -10.015 -0.772) 10.252 8.098 ( -2.054 10.015 -0.772) 10.252 8.464 ( 0.120 -5.916 -1.768) 6.176 8.464 ( 0.120 5.916 -1.768) 6.176 8.662 ( -3.758 -8.022 -3.330) 9.464 8.662 ( -3.758 8.022 -3.330) 9.464 9.403 ( 4.729 -8.909 -4.743) 11.145 9.403 ( 4.729 8.909 -4.743) 11.145 9.447 ( 1.609 -1.977 -7.183) 7.622 9.447 ( 1.609 1.977 -7.183) 7.622 9.810 ( 4.713 -3.447 -7.509) 9.512 9.810 ( 4.713 3.447 -7.509) 9.512 10.431 ( -8.463 -3.514 -1.993) 9.378 10.431 ( -8.463 3.514 -1.993) 9.378 11.413 ( 4.569 -5.086 -9.296) 11.539 11.413 ( 4.569 5.086 -9.296) 11.539 11.713 ( -3.354 -10.703 -10.466) 15.341 11.713 ( -3.354 10.703 -10.466) 15.341 13.090 ( 2.302 -6.604 5.288) 8.768 13.090 ( 2.302 6.604 5.288) 8.768 13.257 ( 2.511 -3.322 -1.836) 4.551 13.257 ( 2.511 3.322 -1.836) 4.551 13.304 ( -2.548 -5.934 5.718) 8.625 13.304 ( -2.548 5.934 5.718) 8.625 13.363 ( -0.533 -11.559 4.101) 12.277 13.363 ( -0.533 11.559 4.101) 12.277 14.579 ( 7.599 -14.378 8.420) 18.313 14.579 ( 7.599 14.378 8.420) 18.313 15.172 ( -5.499 -2.105 2.285) 6.316 15.172 ( -5.499 2.105 2.285) 6.316 15.547 ( -0.211 -4.507 -2.713) 5.265 15.547 ( -0.211 4.507 -2.713) 5.265 15.671 ( -3.300 -1.947 -1.310) 4.049 15.671 ( -3.300 1.947 -1.310) 4.049 17.574 ( 2.010 -2.914 -5.246) 6.328 17.574 ( 2.010 2.914 -5.246) 6.328 17.712 ( -1.439 -6.707 -4.558) 8.236 17.712 ( -1.439 6.707 -4.558) 8.236 24.267 ( 3.008 -8.932 2.969) 9.882 24.267 ( 3.008 8.932 2.969) 9.882 24.448 ( -1.213 -5.654 1.575) 5.994 24.448 ( -1.213 5.654 1.575) 5.994 24.880 ( 1.885 -0.701 0.301) 2.033 24.880 ( 1.885 0.701 0.301) 2.033 25.246 ( -8.488 -2.213 -6.971) 11.204 25.246 ( -8.488 2.213 -6.971) 11.204 26.688 ( 11.396 -10.143 -3.562) 15.666 26.688 ( 11.396 10.143 -3.562) 15.666 27.452 ( -9.056 -16.694 1.243) 19.033 27.452 ( -9.056 16.694 1.243) 19.033 29.094 ( 6.291 -5.738 7.898) 11.614 29.094 ( 6.291 5.738 7.898) 11.614 29.461 ( -3.176 -11.173 7.884) 14.039 29.461 ( -3.176 11.173 7.884) 14.039 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 11.819 -10.528 7.424) 17.483 2.948 ( 11.819 10.528 7.424) 17.483 3.064 ( 1.235 -11.361 7.810) 13.842 3.064 ( 1.235 11.361 7.810) 13.842 3.335 ( -1.513 -14.272 2.927) 14.647 3.335 ( -1.513 14.272 2.927) 14.647 3.477 ( -15.233 -12.916 2.928) 20.185 3.477 ( -15.233 12.916 2.928) 20.185 4.621 ( 5.958 -8.269 5.762) 11.708 4.621 ( 5.958 8.269 5.762) 11.708 4.696 ( -1.774 -8.796 7.271) 11.549 4.696 ( -1.774 8.796 7.271) 11.549 5.440 ( 1.992 -5.619 -1.352) 6.113 5.440 ( 1.992 5.619 -1.352) 6.113 5.476 ( -1.814 -3.365 -2.924) 4.813 5.476 ( -1.814 3.365 -2.924) 4.813 6.054 ( 8.423 -3.000 0.008) 8.941 6.054 ( 8.423 3.000 0.008) 8.941 6.192 ( -5.451 -4.158 1.681) 7.059 6.192 ( -5.451 4.158 1.681) 7.059 6.510 ( 4.376 -6.968 2.511) 8.603 6.510 ( 4.376 6.968 2.511) 8.603 6.596 ( -4.724 -3.354 -0.093) 5.795 6.596 ( -4.724 3.354 -0.093) 5.795 7.323 ( 5.753 -10.312 -1.416) 11.893 7.323 ( 5.753 10.312 -1.416) 11.893 7.444 ( -6.586 -12.072 -0.942) 13.784 7.444 ( -6.586 12.072 -0.942) 13.784 7.995 ( 0.559 -10.125 -0.725) 10.166 7.995 ( 0.559 10.125 -0.725) 10.166 8.039 ( -3.478 -10.135 0.214) 10.717 8.039 ( -3.478 10.135 0.214) 10.717 8.496 ( 3.256 -6.844 -2.668) 8.035 8.496 ( 3.256 6.844 -2.668) 8.035 8.576 ( -4.793 -7.924 -2.944) 9.718 8.576 ( -4.793 7.924 -2.944) 9.718 9.467 ( 1.757 -13.595 -5.260) 14.683 9.467 ( 1.757 13.595 -5.260) 14.683 9.477 ( 0.810 -11.916 -6.915) 13.801 9.477 ( 0.810 11.916 -6.915) 13.801 9.971 ( 11.807 -2.881 -7.136) 14.093 9.971 ( 11.807 2.881 -7.136) 14.093 10.219 ( -13.067 -3.036 -4.965) 14.305 10.219 ( -13.067 3.036 -4.965) 14.305 11.518 ( 6.048 -7.550 -9.411) 13.496 11.518 ( 6.048 7.550 -9.411) 13.496 11.629 ( -5.327 -9.390 -9.936) 14.673 11.629 ( -5.327 9.390 -9.936) 14.673 13.153 ( 4.143 -6.461 5.631) 9.519 13.153 ( 4.143 6.461 5.631) 9.519 13.236 ( -4.246 -5.832 6.007) 9.387 13.236 ( -4.246 5.832 6.007) 9.387 13.308 ( 2.467 -7.113 0.389) 7.539 13.308 ( 2.467 7.113 0.389) 7.539 13.345 ( -1.403 -10.159 2.264) 10.503 13.345 ( -1.403 10.159 2.264) 10.503 14.775 ( 12.222 -10.741 5.841) 17.287 14.775 ( 12.222 10.741 5.841) 17.287 15.008 ( -11.313 -6.139 3.413) 13.316 15.008 ( -11.313 6.139 3.413) 13.316 15.558 ( 1.539 -4.044 -1.628) 4.623 15.558 ( 1.539 4.044 -1.628) 4.623 15.605 ( -3.249 -1.825 -1.296) 3.945 15.605 ( -3.249 1.825 -1.296) 3.945 17.622 ( 2.823 -5.087 -5.079) 7.723 17.622 ( 2.823 5.087 -5.079) 7.723 17.674 ( -2.494 -6.315 -4.808) 8.320 17.674 ( -2.494 6.315 -4.808) 8.320 24.339 ( 4.151 -8.168 2.130) 9.407 24.339 ( 4.151 8.168 2.130) 9.407 24.409 ( -2.939 -6.822 1.583) 7.595 24.409 ( -2.939 6.822 1.583) 7.595 24.943 ( 4.923 -0.730 -0.520) 5.004 24.943 ( 4.923 0.730 -0.520) 5.004 25.072 ( -8.578 -1.144 -2.988) 9.155 25.072 ( -8.578 1.144 -2.988) 9.155 26.949 ( 14.919 -13.141 -3.123) 20.125 26.949 ( 14.919 13.141 -3.123) 20.125 27.227 ( -13.820 -15.286 -1.041) 20.633 27.227 ( -13.820 15.286 -1.041) 20.633 29.236 ( 7.845 -8.043 7.645) 13.590 29.236 ( 7.845 8.043 7.645) 13.590 29.371 ( -6.106 -10.012 7.652) 14.003 29.371 ( -6.106 10.012 7.652) 14.003 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.000 0.000 28.903) 28.903 2.135 ( 0.000 0.000 28.923) 28.923 3.053 ( 0.000 0.000 11.855) 11.855 3.083 ( 0.000 0.000 15.814) 15.814 3.278 ( 0.000 0.000 -0.668) 0.668 3.404 ( 0.000 0.000 25.362) 25.362 3.716 ( 0.000 0.000 -4.857) 4.857 3.925 ( 0.000 0.000 0.101) 0.101 4.138 ( 0.000 0.000 -12.874) 12.874 4.172 ( 0.000 0.000 -4.601) 4.601 4.535 ( 0.000 0.000 -1.264) 1.264 4.619 ( 0.000 0.000 7.982) 7.982 4.666 ( 0.000 0.000 -6.367) 6.367 4.971 ( 0.000 0.000 2.191) 2.191 4.994 ( 0.000 0.000 -1.264) 1.264 5.129 ( 0.000 0.000 -7.609) 7.609 5.919 ( 0.000 0.000 -1.826) 1.826 5.979 ( 0.000 0.000 -4.551) 4.551 6.286 ( 0.000 0.000 -11.323) 11.323 6.331 ( 0.000 0.000 -3.069) 3.069 6.410 ( 0.000 0.000 4.228) 4.228 6.457 ( 0.000 0.000 3.955) 3.955 6.526 ( 0.000 0.000 -3.867) 3.867 6.559 ( 0.000 0.000 24.919) 24.919 6.942 ( 0.000 0.000 -1.016) 1.016 7.119 ( 0.000 0.000 22.594) 22.594 7.128 ( 0.000 0.000 -0.373) 0.373 7.247 ( 0.000 0.000 -7.574) 7.574 7.600 ( 0.000 0.000 -0.973) 0.973 7.814 ( 0.000 0.000 -2.527) 2.527 8.036 ( 0.000 0.000 -14.493) 14.493 8.114 ( 0.000 0.000 -7.234) 7.234 8.511 ( 0.000 0.000 5.459) 5.459 8.545 ( 0.000 0.000 -13.748) 13.748 8.586 ( 0.000 0.000 -8.815) 8.815 8.587 ( 0.000 0.000 0.070) 0.070 8.757 ( 0.000 0.000 5.303) 5.303 9.634 ( 0.000 0.000 -2.009) 2.009 9.712 ( 0.000 0.000 -9.266) 9.266 9.900 ( 0.000 0.000 5.983) 5.983 9.923 ( 0.000 0.000 -7.496) 7.496 9.946 ( 0.000 0.000 -5.802) 5.802 10.621 ( 0.000 0.000 -8.835) 8.835 10.644 ( 0.000 0.000 1.058) 1.058 10.762 ( 0.000 0.000 1.177) 1.177 11.149 ( 0.000 0.000 -22.254) 22.254 12.266 ( 0.000 0.000 2.436) 2.436 12.638 ( 0.000 0.000 -9.451) 9.451 12.797 ( 0.000 0.000 14.501) 14.501 12.922 ( 0.000 0.000 -11.777) 11.777 13.056 ( 0.000 0.000 14.818) 14.818 13.158 ( 0.000 0.000 -12.390) 12.390 13.366 ( 0.000 0.000 10.206) 10.206 13.521 ( 0.000 0.000 16.690) 16.690 13.568 ( 0.000 0.000 -3.188) 3.188 13.804 ( 0.000 0.000 -1.039) 1.039 13.913 ( 0.000 0.000 -3.876) 3.876 14.478 ( 0.000 0.000 -6.923) 6.923 15.140 ( 0.000 0.000 4.322) 4.322 15.223 ( 0.000 0.000 3.540) 3.540 15.386 ( 0.000 0.000 2.346) 2.346 15.652 ( 0.000 0.000 -8.422) 8.422 15.883 ( 0.000 0.000 0.227) 0.227 15.955 ( 0.000 0.000 -0.020) 0.020 17.133 ( 0.000 0.000 -7.091) 7.091 17.406 ( 0.000 0.000 -10.555) 10.555 18.143 ( 0.000 0.000 2.087) 2.087 18.481 ( 0.000 0.000 -3.045) 3.045 23.561 ( 0.000 0.000 5.177) 5.177 23.793 ( 0.000 0.000 6.704) 6.704 24.137 ( 0.000 0.000 -7.310) 7.310 24.400 ( 0.000 0.000 -6.070) 6.070 24.582 ( 0.000 0.000 1.355) 1.355 24.596 ( 0.000 0.000 0.462) 0.462 24.857 ( 0.000 0.000 3.577) 3.577 24.909 ( 0.000 0.000 2.244) 2.244 26.391 ( 0.000 0.000 6.870) 6.870 26.741 ( 0.000 0.000 -0.039) 0.039 27.178 ( 0.000 0.000 8.770) 8.770 28.424 ( 0.000 0.000 -15.854) 15.854 29.187 ( 0.000 0.000 5.603) 5.603 29.225 ( 0.000 0.000 7.444) 7.444 29.694 ( 0.000 0.000 12.146) 12.146 30.682 ( 0.000 0.000 -12.219) 12.219 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 9.563 0.000 26.919) 28.567 2.251 ( 11.344 0.000 26.420) 28.752 2.867 ( -14.288 0.000 12.913) 19.258 3.010 ( -7.545 0.000 15.786) 17.496 3.431 ( 10.999 0.000 -1.358) 11.082 3.467 ( 5.536 0.000 18.049) 18.879 3.601 ( -7.046 0.000 -6.584) 9.644 3.924 ( -0.031 0.000 3.939) 3.939 4.049 ( -8.339 0.000 -10.750) 13.605 4.272 ( 4.248 0.000 3.983) 5.823 4.554 ( 1.707 0.000 -2.121) 2.723 4.615 ( 1.964 0.000 3.647) 4.142 4.668 ( -0.316 0.000 -5.999) 6.007 4.959 ( -1.806 0.000 1.415) 2.295 5.039 ( 4.922 0.000 -2.762) 5.644 5.182 ( 4.314 0.000 -8.103) 9.180 5.923 ( 0.337 0.000 -2.396) 2.419 5.964 ( -1.418 0.000 -4.675) 4.886 6.216 ( -4.535 0.000 -6.046) 7.557 6.321 ( -3.648 0.000 -6.802) 7.719 6.421 ( 1.198 0.000 7.972) 8.062 6.443 ( 0.090 0.000 4.016) 4.017 6.519 ( -0.855 0.000 -1.766) 1.962 6.540 ( -1.890 0.000 22.681) 22.760 6.995 ( 4.991 0.000 -3.029) 5.838 7.020 ( -6.173 0.000 12.992) 14.383 7.108 ( -3.927 0.000 11.647) 12.291 7.237 ( -1.200 0.000 -7.887) 7.978 7.679 ( 6.673 0.000 -4.088) 7.826 7.810 ( -0.068 0.000 -3.091) 3.092 7.968 ( -3.490 0.000 -10.457) 11.024 8.191 ( 4.695 0.000 -9.805) 10.871 8.473 ( -5.507 0.000 -8.869) 10.440 8.519 ( 0.838 0.000 5.151) 5.218 8.581 ( -0.640 0.000 0.821) 1.041 8.587 ( -0.730 0.000 -9.091) 9.120 8.920 ( 14.273 0.000 -0.446) 14.280 9.579 ( -5.297 0.000 -1.136) 5.417 9.762 ( 5.399 0.000 -8.700) 10.239 9.923 ( -0.001 0.000 -7.254) 7.254 9.943 ( -0.360 0.000 -6.149) 6.159 9.968 ( 5.199 0.000 5.320) 7.438 10.603 ( -1.027 0.000 -11.346) 11.393 10.656 ( 1.260 0.000 1.088) 1.665 10.752 ( -1.031 0.000 1.177) 1.565 11.063 ( -8.708 0.000 -21.340) 23.048 12.297 ( 3.256 0.000 0.949) 3.391 12.663 ( 2.604 0.000 -7.971) 8.385 12.769 ( -12.102 0.000 -7.907) 14.456 12.800 ( 0.108 0.000 12.795) 12.796 13.041 ( -1.397 0.000 13.482) 13.554 13.114 ( -3.755 0.000 -11.211) 11.823 13.397 ( 3.531 0.000 10.507) 11.085 13.580 ( 2.042 0.000 15.670) 15.802 13.619 ( 4.715 0.000 -3.044) 5.612 13.888 ( -2.556 0.000 -3.643) 4.450 13.919 ( 11.287 0.000 -2.406) 11.540 14.447 ( -3.501 0.000 -5.942) 6.896 15.150 ( 0.981 0.000 4.204) 4.317 15.217 ( -0.650 0.000 3.583) 3.641 15.390 ( 1.110 0.000 2.494) 2.730 15.647 ( -1.090 0.000 -7.760) 7.837 15.842 ( -3.071 0.000 0.790) 3.171 15.935 ( -2.457 0.000 -0.996) 2.651 17.141 ( 0.992 0.000 -6.816) 6.888 17.361 ( -4.338 0.000 -9.215) 10.185 18.164 ( 2.247 0.000 1.619) 2.769 18.426 ( -5.036 0.000 -1.909) 5.385 23.576 ( 1.631 0.000 5.151) 5.403 23.758 ( -3.235 0.000 5.986) 6.804 24.175 ( 3.516 0.000 -6.619) 7.495 24.381 ( -1.932 0.000 -6.016) 6.318 24.584 ( 0.267 0.000 0.762) 0.808 24.599 ( 0.186 0.000 0.507) 0.540 24.860 ( 0.435 0.000 3.652) 3.677 24.906 ( -0.347 0.000 2.497) 2.521 26.439 ( 5.198 0.000 7.375) 9.023 26.826 ( 4.381 0.000 2.511) 5.050 27.184 ( 4.366 0.000 3.030) 5.314 28.254 ( -16.221 0.000 -14.455) 21.727 29.157 ( 0.174 0.000 8.823) 8.825 29.261 ( 0.566 0.000 7.696) 7.716 29.838 ( 13.323 0.000 6.195) 14.693 30.606 ( -7.742 0.000 -10.314) 12.896 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 15.144 0.000 22.359) 27.005 2.520 ( 15.708 0.000 21.524) 26.646 2.571 ( -16.332 0.000 17.296) 23.788 2.806 ( -13.481 0.000 17.500) 22.090 3.528 ( -0.513 0.000 -7.845) 7.861 3.536 ( 0.368 0.000 0.287) 0.467 3.645 ( 11.328 0.000 -4.485) 12.184 3.859 ( -10.985 0.000 -7.586) 13.350 3.997 ( 8.807 0.000 14.708) 17.143 4.200 ( -9.896 0.000 13.736) 16.930 4.595 ( 2.506 0.000 -3.218) 4.079 4.643 ( -2.194 0.000 -4.592) 5.089 4.740 ( 8.833 0.000 -0.327) 8.839 4.886 ( -5.931 0.000 0.858) 5.993 5.160 ( 6.522 0.000 -6.047) 8.895 5.234 ( -0.284 0.000 -8.355) 8.360 5.927 ( 0.109 0.000 -4.079) 4.081 5.937 ( -1.016 0.000 -4.532) 4.645 6.164 ( -0.099 0.000 -3.072) 3.073 6.219 ( -5.318 0.000 -3.946) 6.622 6.452 ( 1.939 0.000 14.930) 15.056 6.464 ( 1.557 0.000 1.956) 2.500 6.495 ( -1.596 0.000 0.401) 1.646 6.496 ( -2.562 0.000 18.646) 18.821 6.953 ( 0.128 0.000 13.990) 13.991 7.013 ( -5.096 0.000 13.159) 14.111 7.103 ( 5.646 0.000 -6.122) 8.328 7.193 ( -3.599 0.000 -7.800) 8.590 7.760 ( 2.071 0.000 -8.252) 8.508 7.803 ( -2.089 0.000 -7.747) 8.024 8.009 ( 8.765 0.000 -5.834) 10.529 8.187 ( -7.018 0.000 -8.070) 10.695 8.440 ( 3.820 0.000 -8.344) 9.177 8.537 ( -4.571 0.000 -8.646) 9.779 8.540 ( 1.264 0.000 4.160) 4.348 8.564 ( -1.141 0.000 2.525) 2.771 9.208 ( 14.426 0.000 -3.277) 14.793 9.439 ( -9.623 0.000 -2.494) 9.941 9.899 ( 8.004 0.000 -3.232) 8.632 9.926 ( 0.299 0.000 -6.930) 6.936 9.934 ( -0.521 0.000 -6.641) 6.661 10.012 ( -2.214 0.000 3.084) 3.796 10.645 ( 6.935 0.000 -16.689) 18.072 10.688 ( 1.930 0.000 1.140) 2.242 10.724 ( -1.789 0.000 1.169) 2.137 10.848 ( -12.650 0.000 -19.426) 23.181 12.392 ( 6.750 0.000 -2.124) 7.077 12.552 ( -10.057 0.000 -4.858) 11.169 12.728 ( 3.757 0.000 -2.819) 4.697 12.787 ( -1.936 0.000 6.267) 6.559 13.020 ( -0.188 0.000 6.652) 6.654 13.046 ( -2.832 0.000 -3.605) 4.585 13.486 ( 5.120 0.000 12.066) 13.107 13.567 ( -2.886 0.000 13.603) 13.906 13.721 ( 5.582 0.000 -2.919) 6.299 13.820 ( -4.554 0.000 -3.178) 5.553 14.150 ( 11.489 0.000 -1.497) 11.586 14.337 ( -8.011 0.000 -2.923) 8.528 15.174 ( 1.395 0.000 3.950) 4.189 15.199 ( -1.193 0.000 3.719) 3.906 15.455 ( 5.832 0.000 0.367) 5.843 15.580 ( -6.019 0.000 -3.919) 7.183 15.817 ( 1.049 0.000 -0.935) 1.406 15.869 ( -3.821 0.000 -1.674) 4.172 17.180 ( 3.324 0.000 -6.552) 7.347 17.264 ( -5.228 0.000 -7.242) 8.932 18.226 ( 4.179 0.000 0.619) 4.225 18.320 ( -5.562 0.000 -0.448) 5.580 23.621 ( 3.022 0.000 5.130) 5.954 23.688 ( -3.821 0.000 5.304) 6.537 24.253 ( 4.286 0.000 -6.007) 7.380 24.329 ( -3.500 0.000 -5.922) 6.878 24.592 ( 0.435 0.000 0.282) 0.518 24.599 ( -0.227 0.000 0.299) 0.375 24.874 ( 0.996 0.000 3.533) 3.671 24.894 ( -0.918 0.000 3.057) 3.191 26.582 ( 9.335 0.000 8.341) 12.518 26.765 ( -8.694 0.000 8.600) 12.229 27.450 ( 20.825 0.000 -8.359) 22.440 27.874 ( -22.334 0.000 -12.052) 25.378 29.192 ( 2.770 0.000 9.578) 9.970 29.242 ( -2.164 0.000 9.200) 9.451 30.126 ( 15.624 0.000 -0.855) 15.648 30.404 ( -13.088 0.000 -6.047) 14.417 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.000 18.151 24.176) 30.232 2.191 ( 0.000 5.514 26.764) 27.327 3.037 ( 0.000 0.224 12.427) 12.429 3.247 ( 0.000 12.430 11.970) 17.257 3.391 ( 0.000 9.107 -0.122) 9.108 3.497 ( 0.000 9.131 24.149) 25.818 3.675 ( 0.000 -2.399 -1.838) 3.022 3.865 ( 0.000 -4.789 -2.409) 5.361 4.161 ( 0.000 0.305 -5.790) 5.798 4.210 ( 0.000 4.533 -6.438) 7.874 4.462 ( 0.000 -1.775 5.574) 5.850 4.763 ( 0.000 8.254 -5.820) 10.099 4.832 ( 0.000 14.881 -0.359) 14.885 4.956 ( 0.000 -0.150 1.266) 1.275 5.023 ( 0.000 2.391 -2.632) 3.556 5.121 ( 0.000 -0.648 -7.259) 7.288 6.054 ( 0.000 11.261 -1.729) 11.393 6.114 ( 0.000 12.210 -3.097) 12.597 6.240 ( 0.000 -3.932 -10.378) 11.097 6.292 ( 0.000 -4.012 -2.099) 4.528 6.373 ( 0.000 -1.399 -0.677) 1.554 6.457 ( 0.000 -2.584 6.178) 6.697 6.548 ( 0.000 6.166 9.871) 11.638 6.606 ( 0.000 -0.424 7.113) 7.126 6.835 ( 0.000 -3.121 7.559) 8.178 7.063 ( 0.000 -4.766 19.122) 19.707 7.278 ( 0.000 3.508 -6.725) 7.585 7.336 ( 0.000 13.769 -3.709) 14.260 7.591 ( 0.000 -0.484 -0.632) 0.797 7.854 ( 0.000 3.601 -2.954) 4.658 8.040 ( 0.000 0.761 -14.164) 14.184 8.102 ( 0.000 -1.037 -7.912) 7.979 8.494 ( 0.000 -4.605 -9.724) 10.760 8.553 ( 0.000 -3.159 -8.262) 8.845 8.588 ( 0.000 5.315 2.642) 5.935 8.655 ( 0.000 6.094 0.137) 6.096 8.766 ( 0.000 1.686 3.757) 4.118 9.480 ( 0.000 -11.393 -1.434) 11.483 9.672 ( 0.000 -3.929 -9.934) 10.683 9.749 ( 0.000 -9.886 -1.294) 9.970 9.941 ( 0.000 -1.021 -7.046) 7.120 10.017 ( 0.000 2.159 -0.005) 2.159 10.591 ( 0.000 -2.626 -7.478) 7.926 10.749 ( 0.000 9.504 -1.101) 9.567 10.802 ( 0.000 3.711 0.986) 3.840 11.056 ( 0.000 -8.482 -20.166) 21.877 12.050 ( 0.000 -16.151 3.741) 16.579 12.403 ( 0.000 -16.731 -10.091) 19.539 12.896 ( 0.000 6.052 10.871) 12.442 12.990 ( 0.000 2.533 -6.965) 7.411 13.100 ( 0.000 -0.097 -2.230) 2.232 13.217 ( 0.000 7.978 6.403) 10.230 13.334 ( 0.000 -2.319 6.122) 6.547 13.576 ( 0.000 5.167 15.878) 16.697 13.617 ( 0.000 2.256 -2.423) 3.310 13.774 ( 0.000 -1.662 -0.691) 1.800 13.893 ( 0.000 -1.470 -1.154) 1.869 14.561 ( 0.000 7.356 -8.505) 11.245 15.159 ( 0.000 1.698 3.794) 4.157 15.218 ( 0.000 -0.441 2.882) 2.915 15.398 ( 0.000 1.164 2.110) 2.410 15.633 ( 0.000 -1.802 -8.038) 8.238 15.845 ( 0.000 -3.541 0.883) 3.650 15.931 ( 0.000 -2.331 -0.113) 2.334 17.173 ( 0.000 3.756 -7.002) 7.946 17.409 ( 0.000 0.270 -9.944) 9.947 18.094 ( 0.000 -4.544 1.232) 4.708 18.257 ( 0.000 -18.381 1.660) 18.455 23.778 ( 0.000 9.520 4.144) 10.383 23.935 ( 0.000 21.248 -1.101) 21.277 24.220 ( 0.000 7.065 -5.909) 9.210 24.345 ( 0.000 -2.420 -3.894) 4.585 24.645 ( 0.000 4.445 0.955) 4.547 24.709 ( 0.000 9.394 -0.893) 9.436 24.830 ( 0.000 -2.505 3.448) 4.262 24.885 ( 0.000 -2.092 1.804) 2.763 26.388 ( 0.000 -0.090 6.735) 6.735 26.739 ( 0.000 -0.248 -0.766) 0.805 27.175 ( 0.000 -0.052 8.594) 8.594 28.355 ( 0.000 -6.770 -15.473) 16.889 29.160 ( 0.000 -2.038 7.373) 7.649 29.232 ( 0.000 0.691 7.227) 7.260 29.660 ( 0.000 -3.092 12.078) 12.467 30.540 ( 0.000 -12.723 -8.326) 15.205 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 8.286 16.494 23.498) 29.880 2.301 ( 10.584 5.272 23.709) 26.494 2.945 ( -9.305 4.074 11.490) 15.336 3.093 ( -10.954 9.794 14.399) 20.573 3.471 ( 3.122 3.335 7.315) 8.625 3.579 ( -4.877 2.253 -3.067) 6.186 3.603 ( 7.971 8.677 4.514) 12.617 3.875 ( 1.643 -3.764 3.013) 5.094 4.084 ( -8.040 1.795 -3.842) 9.090 4.287 ( 4.219 2.579 3.153) 5.865 4.495 ( 4.390 -1.523 0.908) 4.734 4.772 ( 0.662 8.962 -4.829) 10.202 4.791 ( -1.857 11.272 -0.811) 11.452 4.930 ( -2.835 -0.267 -0.277) 2.861 5.081 ( 3.748 3.093 -3.204) 5.820 5.185 ( 5.983 0.827 -7.341) 9.506 6.049 ( -0.565 10.439 -2.108) 10.665 6.086 ( -2.708 9.775 -3.999) 10.903 6.195 ( -2.455 -0.906 -5.448) 6.044 6.278 ( -3.027 -2.912 -2.024) 4.662 6.385 ( 2.833 -1.992 -1.761) 3.886 6.484 ( 1.042 -0.555 3.367) 3.567 6.532 ( -1.364 5.310 11.315) 12.573 6.598 ( -0.970 2.624 12.726) 13.030 6.852 ( 1.657 -5.006 5.176) 7.389 7.007 ( -4.678 -4.310 17.393) 18.519 7.260 ( -1.726 4.855 -6.280) 8.123 7.299 ( -3.160 11.721 -2.924) 12.486 7.665 ( 6.776 -1.231 -2.928) 7.484 7.838 ( -1.355 2.504 -3.822) 4.766 7.971 ( -3.594 0.534 -10.193) 10.821 8.179 ( 4.339 -0.860 -9.961) 10.899 8.416 ( -5.384 -4.890 -7.396) 10.373 8.556 ( -0.696 -2.395 -7.390) 7.800 8.618 ( 1.468 7.843 3.512) 8.718 8.657 ( 0.028 6.355 -0.107) 6.356 8.895 ( 12.062 -2.402 -0.577) 12.312 9.443 ( -3.784 -10.688 -1.070) 11.388 9.717 ( 4.780 -4.285 -8.404) 10.575 9.802 ( 4.224 -8.606 -3.750) 10.294 9.938 ( -0.196 -1.139 -7.288) 7.379 10.034 ( 1.644 1.933 1.239) 2.823 10.554 ( -3.116 -4.089 -9.406) 10.719 10.747 ( -0.519 7.488 -1.067) 7.582 10.798 ( -0.321 4.275 0.555) 4.323 10.974 ( -7.921 -7.641 -19.363) 22.272 12.083 ( 3.447 -15.693 1.900) 16.179 12.376 ( -3.065 -17.246 -8.856) 19.628 12.902 ( 0.257 6.676 8.145) 10.535 12.924 ( -3.343 5.053 -2.920) 6.725 13.090 ( -1.073 0.798 -1.135) 1.754 13.197 ( -3.740 9.427 3.241) 10.647 13.366 ( 3.245 -2.452 6.815) 7.936 13.543 ( -0.086 -0.589 10.163) 10.180 13.661 ( 2.729 0.288 3.213) 4.225 13.867 ( -0.222 -1.839 -1.503) 2.385 13.940 ( 11.593 2.885 -0.188) 11.948 14.526 ( -3.978 7.203 -7.270) 10.980 15.166 ( 0.664 1.353 3.668) 3.966 15.213 ( -0.625 -0.404 3.077) 3.166 15.396 ( 0.646 0.631 2.397) 2.561 15.628 ( -0.999 -1.707 -7.291) 7.554 15.811 ( -2.562 -2.903 1.049) 4.011 15.907 ( -2.612 -2.622 -0.810) 3.789 17.177 ( 0.661 3.500 -6.764) 7.644 17.365 ( -4.126 0.421 -8.623) 9.569 18.108 ( 1.429 -5.193 0.941) 5.467 18.237 ( -1.893 -15.732 1.156) 15.888 23.776 ( -0.063 10.164 4.239) 11.013 23.894 ( -3.565 18.073 0.918) 18.444 24.247 ( 2.529 6.568 -5.942) 9.211 24.353 ( 0.378 -0.242 -4.996) 5.016 24.645 ( 0.133 4.546 0.803) 4.618 24.700 ( -0.910 8.534 -0.635) 8.606 24.834 ( 0.523 -2.378 3.509) 4.271 24.883 ( -0.348 -2.091 2.101) 2.985 26.440 ( 5.449 0.187 7.094) 8.947 26.831 ( 5.301 0.496 1.151) 5.447 27.167 ( 2.743 -1.494 3.659) 4.811 28.190 ( -15.764 -6.274 -13.857) 21.907 29.151 ( 0.967 -0.413 9.184) 9.244 29.266 ( 0.921 0.615 7.637) 7.717 29.781 ( 11.625 -5.190 7.167) 14.610 30.474 ( -6.789 -11.910 -6.985) 15.386 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 13.641 14.766 19.562) 28.050 2.558 ( 15.255 3.675 19.692) 25.179 2.717 ( -13.686 11.062 14.448) 22.769 2.853 ( -14.482 5.562 17.031) 23.037 3.489 ( 0.687 -2.945 -3.928) 4.957 3.526 ( -2.096 0.483 -3.613) 4.205 3.735 ( 6.527 5.704 -4.134) 9.604 3.882 ( -7.773 1.116 -4.300) 8.953 4.037 ( 9.987 5.012 14.475) 18.286 4.237 ( -8.309 3.852 11.326) 14.565 4.639 ( 8.704 1.215 -2.238) 9.069 4.763 ( -2.809 10.385 -3.752) 11.393 4.790 ( 1.272 7.743 -1.549) 7.998 4.842 ( -4.899 -2.580 0.163) 5.539 5.182 ( 6.019 1.940 -4.976) 8.047 5.254 ( -0.211 1.760 -6.968) 7.190 6.036 ( -0.303 8.721 -4.158) 9.667 6.046 ( -1.074 9.461 -3.518) 10.151 6.171 ( 0.201 1.044 -2.282) 2.518 6.211 ( -3.564 -0.498 -2.508) 4.386 6.441 ( 2.488 -0.368 -1.105) 2.747 6.478 ( -1.461 0.870 0.182) 1.710 6.528 ( 1.337 4.270 17.463) 18.027 6.567 ( -2.199 4.665 16.629) 17.410 6.883 ( 1.663 -4.930 7.356) 9.010 6.929 ( -3.190 -5.110 12.252) 13.653 7.230 ( -0.394 8.058 -4.184) 9.088 7.250 ( -1.963 6.483 -4.999) 8.418 7.768 ( 2.807 0.363 -8.000) 8.486 7.811 ( -1.987 0.762 -7.123) 7.434 7.988 ( 6.856 -1.545 -5.389) 8.856 8.152 ( -7.793 -3.202 -7.121) 11.031 8.406 ( 4.894 -2.451 -7.843) 9.564 8.508 ( -4.423 -2.142 -7.413) 8.894 8.638 ( 0.862 8.208 3.189) 8.848 8.652 ( -0.537 7.292 1.343) 7.434 9.143 ( 12.344 -6.179 -2.562) 14.040 9.335 ( -7.755 -8.937 -1.704) 11.955 9.821 ( 4.529 -5.614 -6.053) 9.416 9.860 ( 0.619 -5.528 -6.065) 8.230 9.958 ( 3.776 0.095 -5.168) 6.401 10.043 ( -2.388 1.444 1.427) 3.134 10.542 ( 3.908 -7.853 -13.093) 15.760 10.684 ( -7.714 -5.135 -7.542) 11.948 10.797 ( 0.496 6.153 -2.237) 6.566 10.831 ( -4.253 2.444 -10.394) 11.493 12.173 ( 5.738 -15.442 -1.879) 16.580 12.287 ( -5.824 -16.453 -5.649) 18.344 12.897 ( 0.977 7.519 -2.200) 7.895 12.916 ( -0.201 6.530 5.446) 8.505 13.072 ( -0.124 2.964 0.124) 2.969 13.109 ( -4.064 7.601 2.360) 8.936 13.444 ( 4.518 -2.970 8.897) 10.411 13.519 ( -2.893 -2.886 10.838) 11.583 13.742 ( 5.073 0.216 0.416) 5.095 13.825 ( -3.421 -0.462 -0.466) 3.484 14.186 ( 12.609 4.111 -0.445) 13.270 14.399 ( -9.335 6.058 -3.320) 11.613 15.181 ( 0.817 0.497 3.548) 3.674 15.197 ( -0.902 -0.292 3.458) 3.585 15.452 ( 5.324 -0.197 0.468) 5.348 15.567 ( -5.508 -1.184 -3.513) 6.639 15.791 ( 1.037 -2.396 -0.805) 2.732 15.841 ( -3.680 -2.625 -1.427) 4.740 17.207 ( 2.628 2.600 -6.471) 7.452 17.277 ( -4.555 1.299 -6.922) 8.387 18.145 ( 2.352 -7.255 0.451) 7.640 18.193 ( -2.565 -10.936 0.454) 11.242 23.785 ( 1.257 11.526 4.243) 12.346 23.827 ( -3.073 13.866 3.356) 14.593 24.301 ( 2.855 5.070 -6.046) 8.391 24.344 ( -1.442 2.874 -5.985) 6.795 24.654 ( 0.931 5.227 0.419) 5.325 24.677 ( -1.357 6.763 -0.105) 6.899 24.850 ( 1.066 -2.187 3.324) 4.119 24.870 ( -0.940 -2.110 2.755) 3.595 26.588 ( 9.644 0.743 7.786) 12.417 26.777 ( -8.907 1.275 7.785) 11.898 27.410 ( 20.073 -3.851 -7.935) 21.925 27.821 ( -21.665 -5.135 -11.508) 25.064 29.196 ( 3.109 0.506 9.590) 10.094 29.250 ( -2.213 0.869 9.112) 9.417 30.040 ( 14.274 -7.844 0.725) 16.304 30.293 ( -11.812 -10.039 -3.740) 15.947 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.000 10.528 21.565) 23.998 2.526 ( 0.000 16.333 17.340) 23.821 3.065 ( 0.000 2.485 8.786) 9.131 3.445 ( 0.000 -0.717 3.623) 3.693 3.511 ( 0.000 -0.833 1.737) 1.927 3.599 ( 0.000 8.116 11.443) 14.029 3.763 ( 0.000 -4.798 -6.504) 8.082 3.903 ( 0.000 22.023 15.265) 26.797 4.195 ( 0.000 2.418 1.895) 3.072 4.307 ( 0.000 5.966 -3.534) 6.934 4.500 ( 0.000 5.466 7.066) 8.934 4.902 ( 0.000 4.213 -4.261) 5.992 5.004 ( 0.000 2.492 0.969) 2.674 5.062 ( 0.000 3.898 -4.178) 5.714 5.167 ( 0.000 7.775 -7.871) 11.063 5.186 ( 0.000 15.972 -4.127) 16.496 6.073 ( 0.000 -9.282 -5.151) 10.615 6.165 ( 0.000 -8.115 -4.985) 9.524 6.250 ( 0.000 -0.098 -0.866) 0.872 6.306 ( 0.000 -0.339 6.196) 6.205 6.475 ( 0.000 14.487 -2.713) 14.739 6.526 ( 0.000 10.093 0.024) 10.093 6.610 ( 0.000 7.427 6.987) 10.197 6.672 ( 0.000 5.571 12.184) 13.398 6.830 ( 0.000 1.103 7.878) 7.955 6.950 ( 0.000 -5.783 13.604) 14.782 7.417 ( 0.000 10.163 -6.820) 12.239 7.517 ( 0.000 -0.184 0.753) 0.775 7.679 ( 0.000 11.343 -4.867) 12.343 7.925 ( 0.000 1.936 -5.657) 5.979 8.084 ( 0.000 0.125 -8.496) 8.497 8.094 ( 0.000 4.723 -9.767) 10.849 8.357 ( 0.000 -8.075 -7.969) 11.345 8.458 ( 0.000 -5.926 -7.742) 9.750 8.638 ( 0.000 -0.950 0.321) 1.002 8.799 ( 0.000 6.298 -0.001) 6.298 8.878 ( 0.000 8.953 2.323) 9.249 9.257 ( 0.000 -8.823 -0.913) 8.870 9.522 ( 0.000 -11.782 -5.158) 12.862 9.556 ( 0.000 -6.752 -11.956) 13.731 9.848 ( 0.000 -7.642 -5.759) 9.569 10.008 ( 0.000 -3.313 -0.179) 3.318 10.528 ( 0.000 -3.077 -4.918) 5.802 10.811 ( 0.000 -10.194 -6.527) 12.105 10.934 ( 0.000 5.002 -8.126) 9.542 10.990 ( 0.000 12.854 -4.799) 13.721 11.713 ( 0.000 -15.408 2.005) 15.538 12.058 ( 0.000 -15.905 -10.723) 19.182 13.016 ( 0.000 0.923 -1.470) 1.736 13.023 ( 0.000 6.325 5.653) 8.483 13.085 ( 0.000 0.170 -4.005) 4.008 13.275 ( 0.000 -3.421 0.523) 3.460 13.346 ( 0.000 3.139 10.661) 11.113 13.580 ( 0.000 -5.443 8.667) 10.235 13.615 ( 0.000 -2.044 0.683) 2.155 13.841 ( 0.000 -4.472 1.937) 4.873 13.931 ( 0.000 17.091 7.270) 18.573 14.735 ( 0.000 8.082 -7.582) 11.081 15.202 ( 0.000 2.247 2.664) 3.485 15.207 ( 0.000 -0.588 1.231) 1.364 15.432 ( 0.000 2.049 1.148) 2.349 15.583 ( 0.000 -2.797 -6.913) 7.458 15.749 ( 0.000 -5.230 1.874) 5.556 15.864 ( 0.000 -4.066 -0.418) 4.088 17.281 ( 0.000 6.507 -6.644) 9.300 17.417 ( 0.000 0.553 -8.258) 8.277 17.873 ( 0.000 -16.460 4.704) 17.119 17.968 ( 0.000 -7.331 -0.779) 7.372 23.933 ( 0.000 8.042 5.110) 9.528 24.310 ( 0.000 1.525 -1.862) 2.407 24.405 ( 0.000 6.578 -2.453) 7.020 24.479 ( 0.000 24.441 -12.123) 27.282 24.723 ( 0.000 -1.909 2.099) 2.838 24.802 ( 0.000 5.155 2.027) 5.539 24.828 ( 0.000 -1.714 0.519) 1.791 24.921 ( 0.000 9.396 -2.894) 9.831 26.396 ( 0.000 1.147 6.025) 6.134 26.724 ( 0.000 -1.501 -1.964) 2.472 27.194 ( 0.000 2.517 7.214) 7.641 28.147 ( 0.000 -13.059 -12.616) 18.158 29.129 ( 0.000 -0.563 9.397) 9.414 29.252 ( 0.000 1.073 6.615) 6.701 29.583 ( 0.000 -3.746 11.898) 12.473 30.222 ( 0.000 -16.697 -1.518) 16.765 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 8.791 9.355 19.417) 23.277 2.586 ( 6.142 15.424 16.312) 23.275 3.019 ( -4.595 3.999 8.434) 10.404 3.328 ( -11.312 9.379 6.631) 16.121 3.428 ( -3.596 -4.891 3.375) 6.945 3.655 ( -1.503 -1.589 2.916) 3.645 3.773 ( 1.054 0.811 -5.819) 5.969 3.911 ( 1.375 13.083 8.457) 15.639 4.141 ( -2.482 6.179 6.568) 9.353 4.364 ( 3.347 4.749 6.505) 8.721 4.551 ( 5.793 7.288 0.789) 9.343 4.886 ( -1.343 3.660 -1.069) 4.043 4.961 ( -0.226 4.785 -0.415) 4.808 5.093 ( -3.570 12.203 -6.044) 14.078 5.174 ( 4.614 4.643 -4.173) 7.763 5.264 ( 4.936 9.250 -5.820) 11.992 6.061 ( 0.039 -6.627 -5.791) 8.801 6.193 ( 2.144 -5.578 -5.067) 7.835 6.217 ( -2.212 -1.533 2.538) 3.700 6.295 ( -1.477 3.517 2.520) 4.572 6.483 ( 0.835 13.559 0.004) 13.584 6.550 ( 1.170 6.461 0.007) 6.566 6.615 ( 0.402 7.528 11.162) 13.469 6.679 ( 0.758 5.570 10.064) 11.528 6.819 ( -0.852 1.402 7.110) 7.297 6.905 ( -3.928 -5.035 12.048) 13.636 7.390 ( -1.204 8.813 -5.786) 10.612 7.570 ( 0.121 8.959 -3.094) 9.479 7.648 ( 0.807 3.154 -2.027) 3.835 7.884 ( -3.472 0.857 -5.739) 6.762 7.997 ( -3.385 1.775 -8.523) 9.341 8.180 ( 0.628 1.826 -9.678) 9.868 8.283 ( -2.090 -7.375 -5.408) 9.381 8.480 ( 0.222 -4.786 -7.393) 8.809 8.742 ( 7.986 -1.530 0.604) 8.154 8.815 ( 2.173 7.155 -1.234) 7.579 8.876 ( 0.057 5.825 1.543) 6.026 9.222 ( -3.546 -9.158 -1.039) 9.875 9.564 ( 4.460 -10.470 -6.814) 13.265 9.635 ( 7.003 -6.848 -10.676) 14.489 9.847 ( 0.204 -7.444 -5.872) 9.484 10.027 ( 1.933 -2.952 0.538) 3.569 10.458 ( -6.647 -4.580 -6.395) 10.299 10.706 ( -10.092 -11.135 -8.825) 17.427 10.935 ( 0.466 6.962 -5.151) 8.673 10.993 ( -0.217 11.354 -5.715) 12.713 11.757 ( 4.225 -15.021 0.084) 15.604 12.030 ( -2.815 -15.776 -9.820) 18.795 12.997 ( -0.818 2.920 -0.948) 3.177 13.029 ( 0.305 5.563 4.112) 6.925 13.093 ( 1.022 1.121 -1.608) 2.211 13.300 ( 1.877 -3.301 0.744) 3.869 13.361 ( -0.570 4.450 10.052) 11.008 13.551 ( -3.876 -0.065 5.556) 6.775 13.596 ( 2.674 -6.141 4.697) 8.181 13.817 ( -1.575 -3.949 1.780) 4.609 14.086 ( 12.452 12.416 5.057) 18.297 14.708 ( -3.426 9.278 -6.886) 12.051 15.182 ( -1.245 -0.810 2.855) 3.219 15.211 ( -0.367 0.935 1.819) 2.078 15.417 ( -0.406 1.441 1.825) 2.360 15.582 ( -0.616 -2.533 -6.042) 6.581 15.732 ( -1.325 -4.408 1.278) 4.777 15.833 ( -3.014 -4.396 -0.605) 5.364 17.280 ( -0.017 6.249 -6.476) 9.000 17.381 ( -3.179 1.206 -7.062) 7.838 17.899 ( 2.214 -15.030 2.923) 15.471 17.968 ( -0.037 -7.969 -0.798) 8.009 23.951 ( 1.982 8.729 4.781) 10.147 24.240 ( -6.179 7.331 -1.645) 9.728 24.417 ( 1.597 7.764 -3.109) 8.514 24.504 ( 1.128 17.299 -9.596) 19.814 24.720 ( 0.221 -1.222 2.323) 2.634 24.807 ( 0.638 3.633 2.018) 4.204 24.823 ( -0.705 -0.976 0.750) 1.418 24.901 ( -1.900 8.412 -2.211) 8.903 26.457 ( 6.303 1.789 5.961) 8.858 26.838 ( 8.988 -0.399 -2.413) 9.315 27.143 ( -2.919 0.157 5.118) 5.894 28.000 ( -14.076 -11.807 -11.403) 21.624 29.151 ( 2.633 0.670 9.599) 9.976 29.291 ( 1.880 1.818 7.034) 7.504 29.648 ( 7.196 -6.972 9.083) 13.523 30.172 ( -5.115 -15.975 -0.930) 16.799 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 13.139 7.323 13.817) 20.425 2.747 ( 9.758 12.353 15.696) 22.230 2.904 ( -6.395 8.547 9.006) 13.967 3.057 ( -16.012 11.258 12.535) 23.244 3.414 ( 2.734 -4.616 -1.945) 5.707 3.530 ( -8.455 -1.838 -3.420) 9.304 3.814 ( 2.896 -0.014 -2.664) 3.935 3.880 ( -3.800 -1.934 -1.091) 4.402 4.216 ( 8.222 12.308 13.223) 19.848 4.351 ( -4.691 8.033 11.910) 15.112 4.707 ( 8.924 7.030 -1.092) 11.413 4.840 ( -4.464 4.886 0.616) 6.647 4.982 ( 2.038 7.829 -1.599) 8.247 5.030 ( -2.913 12.155 -4.266) 13.207 5.250 ( 4.021 4.902 -3.781) 7.382 5.309 ( -1.024 4.646 -5.064) 6.948 6.104 ( 4.123 -1.688 -5.777) 7.296 6.177 ( -2.670 -0.931 -1.203) 3.073 6.227 ( 1.412 0.632 -3.278) 3.625 6.257 ( -1.957 4.073 1.557) 4.780 6.503 ( 1.362 8.306 3.975) 9.308 6.538 ( -1.995 4.363 4.969) 6.907 6.638 ( 2.107 8.295 11.908) 14.665 6.678 ( -1.442 6.521 11.498) 13.297 6.813 ( 0.474 -0.302 4.447) 4.482 6.838 ( -2.416 -2.889 7.892) 8.745 7.398 ( 2.333 10.142 -4.588) 11.373 7.479 ( -5.814 13.257 -3.330) 14.854 7.743 ( 5.412 -3.376 -4.728) 7.940 7.820 ( -3.190 -1.053 -6.482) 7.300 7.976 ( 1.905 0.856 -6.224) 6.565 8.073 ( -7.315 -3.500 -6.243) 10.234 8.357 ( 5.746 -1.931 -6.690) 9.028 8.449 ( -3.469 -3.409 -6.738) 8.310 8.817 ( 1.655 6.477 1.654) 6.887 8.843 ( -0.963 10.159 1.794) 10.361 8.972 ( 9.012 -8.754 -2.739) 12.859 9.125 ( -6.633 -9.669 -1.534) 11.825 9.665 ( 5.243 -9.214 -8.642) 13.677 9.727 ( -0.042 -7.416 -9.416) 11.986 9.914 ( 8.186 -4.035 -3.739) 9.863 10.049 ( -2.368 -0.921 1.999) 3.233 10.349 ( -0.837 -10.145 -11.121) 15.076 10.481 ( -11.818 -11.950 -10.540) 19.839 10.953 ( 1.279 8.540 -4.766) 9.863 10.978 ( -1.220 10.070 -5.501) 11.539 11.854 ( 5.574 -14.824 -3.712) 16.266 11.956 ( -4.847 -15.273 -7.305) 17.610 13.001 ( 1.028 4.217 -0.676) 4.393 13.023 ( -0.963 4.109 0.144) 4.223 13.142 ( 4.299 3.808 3.177) 6.563 13.246 ( -6.067 3.948 4.186) 8.362 13.398 ( 4.338 -1.163 6.404) 7.822 13.481 ( -4.051 -1.303 7.537) 8.655 13.687 ( 5.510 -5.557 2.535) 8.226 13.773 ( -3.339 -4.787 1.973) 6.161 14.342 ( 13.706 11.000 1.982) 17.686 14.579 ( -10.279 10.806 -2.912) 15.195 15.171 ( 0.380 -1.983 3.189) 3.774 15.192 ( -1.404 -0.286 2.673) 3.033 15.452 ( 3.981 0.323 0.548) 4.031 15.539 ( -4.102 -1.354 -2.645) 5.065 15.724 ( 0.920 -3.955 -0.683) 4.117 15.767 ( -3.343 -4.474 -0.981) 5.671 17.287 ( 0.994 5.138 -6.137) 8.065 17.322 ( -2.640 3.128 -6.091) 7.338 17.939 ( 1.774 -12.300 0.609) 12.442 17.962 ( -0.689 -9.749 -0.532) 9.788 24.011 ( 4.323 10.150 3.542) 11.587 24.114 ( -6.393 10.604 1.057) 12.427 24.458 ( 2.435 8.448 -4.282) 9.779 24.499 ( -1.554 11.235 -6.406) 13.026 24.746 ( 2.396 0.732 1.485) 2.912 24.795 ( -2.262 0.558 0.954) 2.517 24.827 ( 1.394 3.111 1.341) 3.664 24.860 ( -2.091 5.325 -0.357) 5.732 26.624 ( 10.649 3.046 5.911) 12.554 26.829 ( -9.361 4.080 5.230) 11.474 27.295 ( 17.762 -7.192 -6.554) 20.252 27.667 ( -19.715 -9.581 -9.709) 23.974 29.219 ( 3.988 1.924 9.455) 10.441 29.284 ( -2.371 2.565 8.750) 9.421 29.834 ( 11.074 -11.316 3.985) 16.327 30.033 ( -9.273 -14.091 0.810) 16.888 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 0.000 12.688 15.368) 19.929 2.807 ( 0.000 10.671 11.183) 15.457 3.112 ( 0.000 0.330 4.529) 4.541 3.356 ( 0.000 -1.882 8.199) 8.412 3.378 ( 0.000 -9.769 4.747) 10.861 3.629 ( 0.000 -8.538 -6.791) 10.910 3.839 ( 0.000 12.094 5.539) 13.303 4.195 ( 0.000 -2.851 7.109) 7.660 4.325 ( 0.000 14.950 7.366) 16.666 4.442 ( 0.000 4.169 -2.967) 5.117 4.663 ( 0.000 9.671 9.292) 13.412 5.000 ( 0.000 -2.854 6.183) 6.810 5.047 ( 0.000 12.082 -4.770) 12.989 5.187 ( 0.000 9.617 -3.088) 10.101 5.361 ( 0.000 7.952 -7.709) 11.075 5.458 ( 0.000 7.735 -7.729) 10.935 5.838 ( 0.000 -11.981 -2.583) 12.256 5.957 ( 0.000 -11.661 -6.649) 13.423 6.226 ( 0.000 -0.227 0.450) 0.504 6.285 ( 0.000 -0.228 2.278) 2.290 6.572 ( 0.000 0.924 13.315) 13.347 6.706 ( 0.000 2.069 13.949) 14.101 6.799 ( 0.000 0.926 2.413) 2.584 6.813 ( 0.000 1.041 11.782) 11.828 6.906 ( 0.000 11.101 7.648) 13.481 7.066 ( 0.000 23.508 -3.396) 23.752 7.447 ( 0.000 -5.967 2.085) 6.320 7.671 ( 0.000 12.697 -7.578) 14.786 7.834 ( 0.000 2.528 -8.432) 8.803 7.929 ( 0.000 -0.796 -6.211) 6.262 8.035 ( 0.000 -13.390 -2.555) 13.631 8.158 ( 0.000 4.623 -4.774) 6.646 8.327 ( 0.000 -4.394 -8.537) 9.601 8.346 ( 0.000 9.096 -11.758) 14.865 8.583 ( 0.000 -3.431 -0.653) 3.493 8.825 ( 0.000 -4.849 0.336) 4.861 9.099 ( 0.000 12.044 0.620) 12.060 9.151 ( 0.000 -2.759 -7.512) 8.003 9.289 ( 0.000 -9.956 -8.815) 13.297 9.472 ( 0.000 1.805 -9.171) 9.347 9.642 ( 0.000 -11.996 -4.449) 12.795 9.872 ( 0.000 -9.830 -2.566) 10.159 10.483 ( 0.000 -0.916 -2.303) 2.478 10.604 ( 0.000 -7.889 -4.248) 8.960 11.076 ( 0.000 7.349 -4.990) 8.883 11.246 ( 0.000 11.087 -7.387) 13.323 11.442 ( 0.000 -10.060 -2.094) 10.276 11.759 ( 0.000 -13.110 -11.460) 17.413 13.058 ( 0.000 3.527 1.167) 3.715 13.088 ( 0.000 1.900 -3.769) 4.221 13.183 ( 0.000 5.731 1.441) 5.909 13.202 ( 0.000 -3.404 -1.754) 3.830 13.356 ( 0.000 -1.202 8.924) 9.005 13.485 ( 0.000 -1.529 10.176) 10.290 13.550 ( 0.000 -4.038 3.617) 5.421 13.698 ( 0.000 -8.859 4.272) 9.835 14.323 ( 0.000 19.023 8.079) 20.667 14.825 ( 0.000 -1.085 -0.415) 1.162 15.203 ( 0.000 0.736 -1.328) 1.518 15.239 ( 0.000 1.036 1.135) 1.537 15.472 ( 0.000 1.532 0.016) 1.532 15.527 ( 0.000 -2.411 -4.850) 5.416 15.663 ( 0.000 -2.081 0.872) 2.256 15.770 ( 0.000 -4.760 -0.920) 4.848 17.428 ( 0.000 7.191 -5.627) 9.131 17.434 ( 0.000 1.204 -5.710) 5.835 17.620 ( 0.000 -7.770 1.739) 7.963 17.803 ( 0.000 -8.435 -2.920) 8.926 24.118 ( 0.000 9.610 4.339) 10.544 24.371 ( 0.000 4.457 -0.533) 4.489 24.447 ( 0.000 -3.228 2.477) 4.069 24.617 ( 0.000 -6.271 1.603) 6.473 24.793 ( 0.000 6.775 -3.817) 7.776 24.830 ( 0.000 1.988 -1.569) 2.533 25.016 ( 0.000 11.498 -7.653) 13.812 25.091 ( 0.000 6.336 -4.965) 8.050 26.448 ( 0.000 4.038 3.960) 5.656 26.665 ( 0.000 -4.323 -1.408) 4.547 27.303 ( 0.000 8.401 3.134) 8.966 27.844 ( 0.000 -15.576 -7.562) 17.315 29.144 ( 0.000 1.980 9.340) 9.548 29.256 ( 0.000 -1.269 6.674) 6.793 29.547 ( 0.000 1.395 10.640) 10.731 29.896 ( 0.000 -14.166 3.659) 14.631 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 6.438 11.479 12.812) 18.367 2.859 ( 5.229 10.749 10.174) 15.697 3.095 ( -1.379 1.614 3.067) 3.730 3.300 ( -2.794 -3.216 5.795) 7.193 3.416 ( 0.483 -4.885 4.824) 6.882 3.572 ( -7.259 -4.043 -0.219) 8.311 3.753 ( -5.895 1.423 1.766) 6.316 4.021 ( -14.998 -3.184 2.144) 15.481 4.397 ( 6.338 13.364 8.665) 17.142 4.519 ( 6.558 8.906 5.279) 12.255 4.720 ( 4.929 7.429 5.468) 10.459 5.000 ( -0.051 0.413 6.021) 6.035 5.063 ( 2.204 12.091 -3.150) 12.687 5.222 ( 1.274 5.547 -3.605) 6.737 5.353 ( 0.020 8.588 -7.070) 11.124 5.461 ( -0.489 5.109 -7.372) 8.982 5.897 ( 6.523 -7.677 -3.381) 10.626 6.005 ( 4.672 -10.341 -4.725) 12.292 6.206 ( -1.696 0.830 0.319) 1.915 6.299 ( 0.369 -1.470 0.993) 1.812 6.581 ( 0.857 1.286 14.479) 14.561 6.703 ( -1.149 4.153 13.485) 14.156 6.734 ( -2.836 0.775 6.634) 7.256 6.799 ( -3.147 -3.522 9.272) 10.406 6.944 ( 3.064 14.865 4.223) 15.754 7.055 ( -1.176 21.833 -2.703) 22.031 7.478 ( 3.013 -4.946 1.163) 5.907 7.670 ( 0.259 10.324 -6.294) 12.094 7.804 ( -2.985 -1.112 -7.140) 7.818 7.873 ( -6.020 2.904 -3.278) 7.445 7.996 ( -1.779 -4.694 -6.694) 8.367 8.140 ( -4.045 -2.326 -7.168) 8.553 8.302 ( 1.623 5.874 -5.465) 8.185 8.388 ( 1.317 -0.316 -8.483) 8.590 8.617 ( 3.197 -7.445 -0.652) 8.128 8.821 ( -0.719 -7.096 0.063) 7.132 9.097 ( -0.332 12.302 -0.737) 12.328 9.142 ( -0.961 1.338 -7.108) 7.296 9.342 ( 5.367 -10.012 -9.455) 14.779 9.541 ( 5.303 -1.005 -11.842) 13.014 9.652 ( 2.648 -10.359 -2.690) 11.025 9.901 ( 3.268 -9.224 -2.033) 9.995 10.388 ( -9.474 -1.788 -2.926) 10.075 10.495 ( -10.461 -7.889 -4.766) 13.942 11.095 ( 1.952 8.188 -5.309) 9.952 11.236 ( -1.244 11.424 -7.907) 13.949 11.484 ( 4.035 -11.112 -3.033) 12.205 11.734 ( -2.577 -13.045 -10.696) 17.065 13.066 ( 1.146 3.750 0.834) 4.009 13.098 ( 0.877 3.496 -2.993) 4.685 13.198 ( 1.491 5.460 2.313) 6.114 13.228 ( 2.373 -2.565 -0.594) 3.544 13.405 ( 3.607 -1.296 7.581) 8.495 13.463 ( -1.430 -3.112 9.078) 9.703 13.516 ( -2.856 -3.103 4.531) 6.189 13.684 ( -1.601 -8.548 4.148) 9.635 14.408 ( 8.382 16.902 6.676) 20.013 14.844 ( 1.418 1.629 -1.287) 2.514 15.153 ( -4.751 -0.613 0.794) 4.856 15.225 ( -2.011 -0.283 0.694) 2.146 15.455 ( -0.644 2.217 0.549) 2.373 15.532 ( 0.278 -2.092 -4.140) 4.647 15.654 ( -0.893 -2.484 0.347) 2.662 15.734 ( -3.432 -4.894 -0.639) 6.011 17.416 ( -0.827 3.764 -4.949) 6.273 17.430 ( -0.594 6.468 -5.757) 8.679 17.651 ( 2.848 -8.847 0.566) 9.312 17.794 ( -1.020 -8.751 -2.761) 9.233 24.142 ( 2.460 9.587 3.893) 10.635 24.348 ( -2.334 5.367 -0.258) 5.858 24.468 ( 2.093 -3.206 2.091) 4.363 24.609 ( -1.037 -6.032 1.259) 6.248 24.809 ( 1.666 7.195 -3.879) 8.342 24.832 ( 0.282 2.710 -1.480) 3.101 24.976 ( -3.395 9.831 -4.687) 11.408 25.057 ( -3.350 5.682 -4.007) 7.717 26.526 ( 7.848 5.008 3.341) 9.891 26.785 ( 11.558 -4.946 -3.105) 12.950 27.217 ( -8.340 7.438 2.934) 11.554 27.724 ( -11.749 -14.402 -7.207) 19.935 29.186 ( 4.167 2.831 9.207) 10.495 29.322 ( 5.266 -0.130 6.131) 8.083 29.541 ( 0.114 -1.571 10.206) 10.326 29.858 ( -3.958 -13.786 3.851) 14.851 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 11.529 9.420 7.742) 16.781 2.968 ( 2.616 10.153 9.660) 14.256 3.084 ( 2.299 6.911 0.995) 7.351 3.246 ( -9.244 3.903 1.780) 10.191 3.324 ( -1.295 0.624 8.186) 8.311 3.431 ( -6.652 -6.602 2.245) 9.637 3.693 ( -0.544 -9.939 -0.126) 9.955 3.760 ( -9.161 -9.381 0.693) 13.130 4.523 ( 6.013 15.053 10.819) 19.488 4.593 ( -0.376 13.931 11.493) 18.063 4.850 ( 8.289 3.189 2.479) 9.221 4.974 ( -3.695 2.456 4.902) 6.611 5.123 ( 3.782 9.993 -3.579) 11.268 5.196 ( -3.377 6.535 -4.085) 8.414 5.381 ( 2.481 5.934 -5.635) 8.551 5.430 ( -2.433 3.521 -5.846) 7.245 6.044 ( 7.143 -2.949 -3.378) 8.434 6.129 ( 5.964 -5.420 -4.462) 9.212 6.159 ( -1.541 -1.091 0.864) 2.077 6.269 ( -4.138 -2.672 -1.349) 5.107 6.598 ( 0.960 2.846 16.739) 17.006 6.641 ( -3.700 3.799 14.124) 15.087 6.723 ( 0.551 -0.589 7.099) 7.144 6.746 ( -1.865 -2.139 7.806) 8.305 6.993 ( 1.998 16.701 1.272) 16.869 7.026 ( -1.670 19.047 -1.146) 19.154 7.560 ( 5.774 -3.693 -0.332) 6.862 7.681 ( -2.329 -1.341 -2.289) 3.530 7.716 ( -3.252 1.106 -4.551) 5.702 7.760 ( -4.045 9.767 -5.672) 11.997 7.992 ( 1.338 -0.837 -7.623) 7.785 8.047 ( -4.359 -0.082 -7.761) 8.901 8.355 ( 2.750 2.199 -4.060) 5.375 8.391 ( -0.938 -0.297 -5.638) 5.723 8.695 ( 4.756 -12.264 0.387) 13.160 8.781 ( -3.678 -11.684 0.590) 12.264 9.095 ( 0.517 11.460 -3.773) 12.076 9.117 ( -1.515 7.748 -6.152) 10.009 9.464 ( 6.321 -9.722 -10.890) 15.908 9.554 ( -2.868 -9.440 -11.236) 14.953 9.832 ( 13.913 -2.331 -3.042) 14.431 9.997 ( 4.942 -4.856 0.571) 6.952 10.164 ( -10.891 -6.019 -6.919) 14.238 10.260 ( -12.775 -8.576 -5.582) 16.368 11.143 ( 2.901 9.653 -6.456) 11.970 11.198 ( -2.642 10.858 -7.615) 13.523 11.575 ( 5.091 -12.144 -5.789) 14.384 11.667 ( -4.314 -12.754 -8.661) 16.009 13.097 ( 1.541 4.836 -0.480) 5.099 13.110 ( 0.154 5.351 -1.773) 5.639 13.236 ( 2.564 4.622 3.567) 6.377 13.269 ( 0.574 -1.177 0.904) 1.592 13.397 ( -0.732 1.105 8.733) 8.833 13.437 ( -3.479 -3.083 6.652) 8.115 13.544 ( 5.396 -7.122 4.424) 9.971 13.634 ( -3.710 -8.176 4.021) 9.838 14.610 ( 11.887 13.888 3.254) 18.568 14.811 ( -7.138 10.675 -1.393) 12.917 15.092 ( 0.807 -5.820 3.279) 6.728 15.159 ( -4.491 -3.331 1.598) 5.815 15.475 ( 2.525 2.104 0.232) 3.294 15.524 ( -1.675 0.156 -1.865) 2.512 15.639 ( -0.128 -3.961 -0.740) 4.032 15.666 ( -2.950 -5.029 -0.574) 5.859 17.407 ( 0.034 5.327 -4.880) 7.225 17.416 ( -0.729 7.028 -5.327) 8.848 17.711 ( 3.140 -9.657 -1.087) 10.212 17.763 ( -2.206 -9.391 -2.196) 9.893 24.206 ( 4.081 9.075 2.573) 10.277 24.286 ( -4.015 7.441 0.854) 8.498 24.519 ( 3.046 -3.494 1.249) 4.801 24.575 ( -2.515 -4.723 0.819) 5.413 24.840 ( 0.879 6.258 -2.608) 6.837 24.846 ( 0.989 7.585 -3.415) 8.377 24.929 ( -0.183 4.682 -0.411) 4.703 24.980 ( -4.240 4.302 -1.872) 6.324 26.725 ( 12.402 6.909 2.461) 14.409 26.950 ( -6.966 7.113 0.487) 9.968 27.126 ( 11.368 -8.175 -3.490) 14.431 27.439 ( -17.105 -12.154 -6.590) 21.993 29.282 ( 5.305 4.371 8.907) 11.251 29.362 ( -2.082 5.065 7.860) 9.580 29.606 ( 6.970 -10.109 6.813) 14.043 29.750 ( -7.145 -12.670 4.613) 15.259 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 0.000 -8.566 9.046) 12.458 2.844 ( 0.000 8.566 9.046) 12.458 3.169 ( 0.000 -8.865 8.267) 12.122 3.169 ( 0.000 8.865 8.267) 12.122 3.443 ( 0.000 -8.314 -0.100) 8.315 3.443 ( 0.000 8.314 -0.100) 8.315 4.066 ( 0.000 -9.333 4.336) 10.291 4.066 ( 0.000 9.333 4.336) 10.291 4.469 ( 0.000 -1.162 1.504) 1.900 4.469 ( 0.000 1.162 1.504) 1.900 4.871 ( 0.000 -9.159 8.984) 12.830 4.871 ( 0.000 9.159 8.984) 12.830 5.353 ( 0.000 -10.937 -4.558) 11.849 5.353 ( 0.000 10.937 -4.558) 11.849 5.411 ( 0.000 -2.064 -6.648) 6.961 5.411 ( 0.000 2.064 -6.648) 6.961 5.748 ( 0.000 -5.349 -3.690) 6.498 5.748 ( 0.000 5.349 -3.690) 6.498 6.259 ( 0.000 -2.541 -0.707) 2.637 6.259 ( 0.000 2.541 -0.707) 2.637 6.635 ( 0.000 -5.138 14.308) 15.203 6.635 ( 0.000 5.138 14.308) 15.203 6.811 ( 0.000 -0.957 10.703) 10.746 6.811 ( 0.000 0.957 10.703) 10.746 7.202 ( 0.000 -12.661 3.309) 13.086 7.202 ( 0.000 12.661 3.309) 13.086 7.595 ( 0.000 -20.925 -0.803) 20.940 7.595 ( 0.000 20.925 -0.803) 20.940 7.863 ( 0.000 -1.144 -10.882) 10.942 7.863 ( 0.000 1.144 -10.882) 10.942 8.035 ( 0.000 -11.064 -6.972) 13.078 8.035 ( 0.000 11.064 -6.972) 13.078 8.415 ( 0.000 -6.048 -5.238) 8.001 8.415 ( 0.000 6.048 -5.238) 8.001 8.643 ( 0.000 -10.750 -2.540) 11.046 8.643 ( 0.000 10.750 -2.540) 11.046 9.137 ( 0.000 -3.168 -10.696) 11.156 9.137 ( 0.000 3.168 -10.696) 11.156 9.373 ( 0.000 -13.540 -2.824) 13.831 9.373 ( 0.000 13.540 -2.824) 13.831 9.637 ( 0.000 -11.613 -4.844) 12.582 9.637 ( 0.000 11.613 -4.844) 12.582 10.499 ( 0.000 -2.645 -1.588) 3.085 10.499 ( 0.000 2.645 -1.588) 3.085 11.229 ( 0.000 -7.627 -3.493) 8.388 11.229 ( 0.000 7.627 -3.493) 8.388 11.510 ( 0.000 -11.273 -11.013) 15.759 11.510 ( 0.000 11.273 -11.013) 15.759 13.138 ( 0.000 -2.604 -1.524) 3.017 13.138 ( 0.000 2.604 -1.524) 3.017 13.158 ( 0.000 -5.286 -0.117) 5.287 13.158 ( 0.000 5.286 -0.117) 5.287 13.442 ( 0.000 -7.099 6.399) 9.557 13.442 ( 0.000 7.099 6.399) 9.557 13.527 ( 0.000 -5.642 7.736) 9.575 13.527 ( 0.000 5.642 7.736) 9.575 14.667 ( 0.000 -13.346 5.894) 14.589 14.667 ( 0.000 13.346 5.894) 14.589 15.235 ( 0.000 -1.450 -1.208) 1.887 15.235 ( 0.000 1.450 -1.208) 1.887 15.493 ( 0.000 -0.914 -1.739) 1.964 15.493 ( 0.000 0.914 -1.739) 1.964 15.681 ( 0.000 -3.328 -1.013) 3.478 15.681 ( 0.000 3.328 -1.013) 3.478 17.473 ( 0.000 -2.438 -2.588) 3.556 17.473 ( 0.000 2.438 -2.588) 3.556 17.631 ( 0.000 -7.675 -4.274) 8.785 17.631 ( 0.000 7.675 -4.274) 8.785 24.312 ( 0.000 -8.726 3.789) 9.513 24.312 ( 0.000 8.726 3.789) 9.513 24.485 ( 0.000 -6.284 0.687) 6.322 24.485 ( 0.000 6.284 0.687) 6.322 24.858 ( 0.000 -0.331 -1.140) 1.187 24.858 ( 0.000 0.331 -1.140) 1.187 25.151 ( 0.000 -1.293 -7.736) 7.843 25.151 ( 0.000 1.293 -7.736) 7.843 26.555 ( 0.000 -5.852 0.905) 5.922 26.555 ( 0.000 5.852 0.905) 5.922 27.535 ( 0.000 -13.689 -2.222) 13.868 27.535 ( 0.000 13.689 -2.222) 13.868 29.202 ( 0.000 -3.298 8.242) 8.878 29.202 ( 0.000 3.298 8.242) 8.878 29.656 ( 0.000 -8.857 7.406) 11.546 29.656 ( 0.000 8.857 7.406) 11.546 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 4.909 -8.659 6.262) 11.759 2.887 ( 4.909 8.659 6.262) 11.759 3.181 ( 1.023 -9.459 7.030) 11.829 3.181 ( 1.023 9.459 7.030) 11.829 3.428 ( -1.427 -7.598 1.421) 7.861 3.428 ( -1.427 7.598 1.421) 7.861 3.884 ( -16.205 -8.424 3.502) 18.597 3.884 ( -16.205 8.424 3.502) 18.597 4.575 ( 9.208 -4.064 3.318) 10.597 4.575 ( 9.208 4.064 3.318) 10.597 4.895 ( 1.396 -8.866 9.782) 13.276 4.895 ( 1.396 8.866 9.782) 13.276 5.355 ( 0.268 -11.038 -5.123) 12.172 5.355 ( 0.268 11.038 -5.123) 12.172 5.393 ( -1.391 -4.336 -6.408) 7.861 5.393 ( -1.391 4.336 -6.408) 7.861 5.844 ( 8.880 -3.280 -2.942) 9.913 5.844 ( 8.880 3.280 -2.942) 9.913 6.250 ( -1.277 -3.007 -0.774) 3.357 6.250 ( -1.277 3.007 -0.774) 3.357 6.647 ( 1.049 -4.859 13.198) 14.103 6.647 ( 1.049 4.859 13.198) 14.103 6.768 ( -3.604 -1.229 10.807) 11.458 6.768 ( -3.604 1.229 10.807) 11.458 7.242 ( 3.504 -11.813 2.960) 12.672 7.242 ( 3.504 11.813 2.960) 12.672 7.542 ( -5.057 -17.930 -1.177) 18.667 7.542 ( -5.057 17.930 -1.177) 18.667 7.875 ( 1.075 -5.649 -9.311) 10.944 7.875 ( 1.075 5.649 -9.311) 10.944 8.016 ( -1.954 -9.564 -6.948) 11.982 8.016 ( -1.954 9.564 -6.948) 11.982 8.415 ( 0.524 -6.735 -4.143) 7.925 8.415 ( 0.524 6.735 -4.143) 7.925 8.612 ( -3.151 -10.798 -2.021) 11.428 8.612 ( -3.151 10.798 -2.021) 11.428 9.187 ( 4.479 -4.395 -11.405) 13.018 9.187 ( 4.479 4.395 -11.405) 13.018 9.371 ( -0.548 -13.161 -4.582) 13.947 9.371 ( -0.548 13.161 -4.582) 13.947 9.686 ( 5.699 -10.008 -3.802) 12.128 9.686 ( 5.699 10.008 -3.802) 12.128 10.393 ( -10.428 -2.353 -1.919) 10.861 10.393 ( -10.428 2.353 -1.919) 10.861 11.267 ( 3.530 -8.427 -4.579) 10.220 11.267 ( 3.530 8.427 -4.579) 10.220 11.486 ( -2.376 -11.089 -10.424) 15.403 11.486 ( -2.376 11.089 -10.424) 15.403 13.145 ( 1.755 -3.858 -0.479) 4.266 13.145 ( 1.755 3.858 -0.479) 4.266 13.204 ( 3.161 -5.679 -1.115) 6.594 13.204 ( 3.161 5.679 -1.115) 6.594 13.433 ( -0.711 -5.159 6.658) 8.453 13.433 ( -0.711 5.159 6.658) 8.453 13.511 ( -1.643 -6.233 7.734) 10.068 13.511 ( -1.643 6.233 7.734) 10.068 14.721 ( 5.591 -12.204 5.090) 14.356 14.721 ( 5.591 12.204 5.090) 14.356 15.190 ( -4.882 -2.877 -0.781) 5.720 15.190 ( -4.882 2.877 -0.781) 5.720 15.497 ( 0.739 -1.631 -1.601) 2.402 15.497 ( 0.739 1.631 -1.601) 2.402 15.651 ( -2.861 -2.437 -0.615) 3.808 15.651 ( -2.861 2.437 -0.615) 3.808 17.490 ( 1.767 -4.011 -2.815) 5.209 17.490 ( 1.767 4.011 -2.815) 5.209 17.618 ( -1.373 -7.651 -4.155) 8.814 17.618 ( -1.373 7.651 -4.155) 8.814 24.334 ( 2.168 -8.615 3.363) 9.499 24.334 ( 2.168 8.615 3.363) 9.499 24.474 ( -1.170 -6.608 0.782) 6.756 24.474 ( -1.170 6.608 0.782) 6.756 24.873 ( 1.639 -0.130 -1.117) 1.988 24.873 ( 1.639 0.130 -1.117) 1.988 25.105 ( -4.433 -1.744 -5.962) 7.632 25.105 ( -4.433 1.744 -5.962) 7.632 26.655 ( 9.865 -6.971 -0.234) 12.081 26.655 ( 9.865 6.971 -0.234) 12.081 27.434 ( -9.974 -12.977 -2.271) 16.524 27.434 ( -9.974 12.977 -2.271) 16.524 29.263 ( 5.875 -4.249 7.976) 10.779 29.263 ( 5.875 4.249 7.976) 10.779 29.624 ( -3.346 -8.543 7.373) 11.770 29.624 ( -3.346 8.543 7.373) 11.770 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 10.092 -8.206 1.426) 13.085 3.037 ( 10.092 8.206 1.426) 13.085 3.180 ( -2.778 -8.857 2.504) 9.614 3.180 ( -2.778 8.857 2.504) 9.614 3.414 ( 1.442 -4.284 5.229) 6.912 3.414 ( 1.442 4.284 5.229) 6.912 3.561 ( -14.692 -5.796 4.823) 16.514 3.561 ( -14.692 5.796 4.823) 16.514 4.759 ( 8.957 -6.153 6.758) 12.797 4.759 ( 8.957 6.153 6.758) 12.797 4.882 ( -3.438 -8.069 9.520) 12.944 4.882 ( -3.438 8.069 9.520) 12.944 5.362 ( 0.339 -9.061 -6.157) 10.960 5.362 ( 0.339 9.061 -6.157) 10.960 5.372 ( -0.789 -6.592 -6.077) 9.000 5.372 ( -0.789 6.592 -6.077) 9.000 6.036 ( 10.129 -2.598 -1.672) 10.590 6.036 ( 10.129 2.598 -1.672) 10.590 6.191 ( -5.526 -3.714 -1.032) 6.738 6.191 ( -5.526 3.714 -1.032) 6.738 6.667 ( 1.247 -3.172 11.541) 12.034 6.667 ( 1.247 3.172 11.541) 12.034 6.705 ( -2.732 -1.649 11.402) 11.840 6.705 ( -2.732 1.649 11.402) 11.840 7.321 ( 4.837 -11.579 1.309) 12.617 7.321 ( 4.837 11.579 1.309) 12.617 7.428 ( -6.259 -13.833 -0.518) 15.192 7.428 ( -6.259 13.833 -0.518) 15.192 7.906 ( 2.447 -7.870 -7.400) 11.076 7.906 ( 2.447 7.870 -7.400) 11.076 7.965 ( -3.255 -8.080 -6.884) 11.102 7.965 ( -3.255 8.080 -6.884) 11.102 8.452 ( 3.428 -7.588 -2.369) 8.657 8.452 ( 3.428 7.588 -2.369) 8.657 8.534 ( -4.664 -9.550 -1.620) 10.750 8.534 ( -4.664 9.550 -1.620) 10.750 9.275 ( 4.277 -7.106 -10.669) 13.513 9.275 ( 4.277 7.106 -10.669) 13.513 9.342 ( -2.579 -10.196 -7.991) 13.208 9.342 ( -2.579 10.196 -7.991) 13.208 9.866 ( 12.874 -5.519 -2.896) 14.304 9.866 ( 12.874 5.519 -2.896) 14.304 10.141 ( -14.949 -2.834 -2.581) 15.433 10.141 ( -14.949 2.834 -2.581) 15.433 11.345 ( 4.385 -9.707 -6.821) 12.649 11.345 ( 4.385 9.707 -6.821) 12.649 11.425 ( -3.854 -10.586 -8.927) 14.374 11.425 ( -3.854 10.586 -8.927) 14.374 13.198 ( 3.234 -4.781 -0.390) 5.785 13.198 ( 3.234 4.781 -0.390) 5.785 13.239 ( -0.255 -5.701 -1.256) 5.843 13.239 ( -0.255 5.701 -1.256) 5.843 13.431 ( 1.029 -3.585 7.395) 8.282 13.431 ( 1.029 3.585 7.395) 8.282 13.470 ( -2.500 -6.577 7.577) 10.340 13.470 ( -2.500 6.577 7.577) 10.340 14.868 ( 9.353 -9.468 3.002) 13.643 14.868 ( 9.353 9.468 3.002) 13.643 15.052 ( -9.156 -6.051 0.666) 10.995 15.052 ( -9.156 6.051 0.666) 10.995 15.528 ( 2.497 -1.687 -0.970) 3.166 15.528 ( 2.497 1.687 -0.970) 3.166 15.587 ( -3.517 -0.904 -0.394) 3.653 15.587 ( -3.517 0.904 -0.394) 3.653 17.533 ( 2.570 -6.089 -3.317) 7.395 17.533 ( 2.570 6.089 -3.317) 7.395 17.582 ( -2.341 -7.284 -3.816) 8.550 17.582 ( -2.341 7.284 -3.816) 8.550 24.386 ( 3.044 -8.165 2.296) 9.011 24.386 ( 3.044 8.165 2.296) 9.011 24.440 ( -2.403 -7.375 1.263) 7.859 24.440 ( -2.403 7.375 1.263) 7.859 24.922 ( 3.575 -1.077 -1.432) 3.999 24.922 ( 3.575 1.077 -1.432) 3.999 25.007 ( -5.180 -1.890 -3.022) 6.288 25.007 ( -5.180 1.890 -3.022) 6.288 26.898 ( 14.865 -9.211 -1.814) 17.582 26.898 ( 14.865 9.211 -1.814) 17.582 27.189 ( -14.927 -11.341 -2.342) 18.892 27.189 ( -14.927 11.341 -2.342) 18.892 29.398 ( 7.583 -6.044 7.559) 12.295 29.398 ( 7.583 6.044 7.559) 12.295 29.532 ( -6.174 -7.589 7.365) 12.246 29.532 ( -6.174 7.589 7.365) 12.246 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 0.000 0.000 25.168) 25.168 2.678 ( 0.000 0.000 23.549) 23.549 3.203 ( 0.000 0.000 -7.480) 7.480 3.287 ( 0.000 0.000 0.976) 0.976 3.309 ( 0.000 0.000 12.666) 12.666 3.631 ( 0.000 0.000 1.809) 1.809 3.807 ( 0.000 0.000 12.696) 12.696 3.853 ( 0.000 0.000 -14.213) 14.213 3.900 ( 0.000 0.000 -3.308) 3.308 4.094 ( 0.000 0.000 -3.480) 3.480 4.511 ( 0.000 0.000 -1.043) 1.043 4.556 ( 0.000 0.000 -4.078) 4.078 4.792 ( 0.000 0.000 7.424) 7.424 4.959 ( 0.000 0.000 -1.772) 1.772 4.974 ( 0.000 0.000 -1.757) 1.757 4.993 ( 0.000 0.000 -4.923) 4.923 5.878 ( 0.000 0.000 -1.776) 1.776 5.897 ( 0.000 0.000 -3.089) 3.089 6.112 ( 0.000 0.000 -5.017) 5.017 6.192 ( 0.000 0.000 -7.344) 7.344 6.511 ( 0.000 0.000 5.549) 5.549 6.534 ( 0.000 0.000 2.985) 2.985 6.539 ( 0.000 0.000 2.298) 2.298 6.753 ( 0.000 0.000 -3.546) 3.546 6.939 ( 0.000 0.000 0.913) 0.913 7.096 ( 0.000 0.000 -6.611) 6.611 7.320 ( 0.000 0.000 16.421) 16.421 7.599 ( 0.000 0.000 2.088) 2.088 7.607 ( 0.000 0.000 20.753) 20.753 7.739 ( 0.000 0.000 -6.352) 6.352 7.814 ( 0.000 0.000 -3.545) 3.545 7.964 ( 0.000 0.000 -7.201) 7.201 8.244 ( 0.000 0.000 -12.723) 12.723 8.447 ( 0.000 0.000 -6.709) 6.709 8.597 ( 0.000 0.000 2.727) 2.727 8.604 ( 0.000 0.000 1.229) 1.229 8.935 ( 0.000 0.000 10.701) 10.701 9.469 ( 0.000 0.000 -12.362) 12.362 9.667 ( 0.000 0.000 4.636) 4.636 9.804 ( 0.000 0.000 -3.858) 3.858 9.831 ( 0.000 0.000 -4.743) 4.743 9.965 ( 0.000 0.000 -0.589) 0.589 10.495 ( 0.000 0.000 -3.180) 3.180 10.677 ( 0.000 0.000 2.141) 2.141 10.730 ( 0.000 0.000 -17.067) 17.067 10.767 ( 0.000 0.000 -0.959) 0.959 12.329 ( 0.000 0.000 3.922) 3.922 12.542 ( 0.000 0.000 0.340) 0.340 12.662 ( 0.000 0.000 -12.382) 12.382 12.859 ( 0.000 0.000 -11.659) 11.659 13.107 ( 0.000 0.000 11.861) 11.861 13.361 ( 0.000 0.000 13.411) 13.411 13.480 ( 0.000 0.000 -5.554) 5.554 13.547 ( 0.000 0.000 7.177) 7.177 13.714 ( 0.000 0.000 -0.221) 0.221 13.796 ( 0.000 0.000 -7.458) 7.458 13.898 ( 0.000 0.000 12.006) 12.006 14.324 ( 0.000 0.000 -8.069) 8.069 15.216 ( 0.000 0.000 3.016) 3.016 15.268 ( 0.000 0.000 0.866) 0.866 15.420 ( 0.000 0.000 1.058) 1.058 15.506 ( 0.000 0.000 -5.190) 5.190 15.902 ( 0.000 0.000 1.337) 1.337 15.948 ( 0.000 0.000 -0.713) 0.713 17.036 ( 0.000 0.000 -1.804) 1.804 17.206 ( 0.000 0.000 -8.616) 8.616 18.205 ( 0.000 0.000 3.952) 3.952 18.401 ( 0.000 0.000 -4.587) 4.587 23.681 ( 0.000 0.000 6.473) 6.473 23.942 ( 0.000 0.000 7.641) 7.641 23.981 ( 0.000 0.000 -7.718) 7.718 24.261 ( 0.000 0.000 -7.328) 7.328 24.601 ( 0.000 0.000 0.567) 0.567 24.604 ( 0.000 0.000 0.311) 0.311 24.919 ( 0.000 0.000 2.338) 2.338 24.945 ( 0.000 0.000 1.095) 1.095 26.524 ( 0.000 0.000 5.951) 5.951 26.710 ( 0.000 0.000 -2.773) 2.773 27.402 ( 0.000 0.000 12.882) 12.882 28.061 ( 0.000 0.000 -18.154) 18.154 29.312 ( 0.000 0.000 5.382) 5.382 29.349 ( 0.000 0.000 4.086) 4.086 29.943 ( 0.000 0.000 11.983) 11.983 30.433 ( 0.000 0.000 -11.979) 11.979 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 6.329 0.000 23.877) 24.702 2.745 ( 6.759 0.000 21.067) 22.125 3.101 ( -8.279 0.000 6.540) 10.551 3.240 ( -4.599 0.000 3.835) 5.988 3.388 ( 6.023 0.000 -0.719) 6.066 3.472 ( -10.579 0.000 -1.670) 10.710 3.637 ( -10.146 0.000 -0.291) 10.150 3.798 ( -5.414 0.000 -13.137) 14.209 4.086 ( 11.576 0.000 9.108) 14.730 4.291 ( 13.840 0.000 -1.515) 13.922 4.515 ( 0.498 0.000 -1.517) 1.596 4.558 ( -0.039 0.000 -4.273) 4.273 4.746 ( -3.852 0.000 7.287) 8.242 4.952 ( -2.446 0.000 -2.196) 3.287 4.987 ( 3.008 0.000 -2.075) 3.654 5.035 ( 3.446 0.000 -5.492) 6.484 5.872 ( -0.697 0.000 -2.103) 2.215 5.883 ( -1.227 0.000 -2.919) 3.167 6.098 ( -1.009 0.000 -3.937) 4.064 6.171 ( -2.187 0.000 -6.658) 7.008 6.524 ( -0.515 0.000 3.195) 3.237 6.540 ( -0.272 0.000 1.971) 1.990 6.547 ( 3.610 0.000 5.561) 6.630 6.741 ( -1.137 0.000 -1.538) 1.913 6.961 ( 2.149 0.000 -0.224) 2.160 7.088 ( -0.923 0.000 -6.249) 6.317 7.314 ( -0.602 0.000 17.091) 17.101 7.498 ( -7.067 0.000 16.277) 17.745 7.632 ( 0.061 0.000 2.157) 2.158 7.705 ( -3.052 0.000 -7.585) 8.176 7.827 ( 2.620 0.000 -2.176) 3.406 8.044 ( 6.349 0.000 -3.574) 7.286 8.219 ( -2.542 0.000 -12.381) 12.639 8.438 ( -1.584 0.000 -7.312) 7.482 8.601 ( 0.374 0.000 2.607) 2.633 8.607 ( 0.291 0.000 1.470) 1.498 9.029 ( 9.364 0.000 9.330) 13.218 9.550 ( 6.085 0.000 -12.260) 13.687 9.627 ( -1.530 0.000 7.161) 7.322 9.804 ( 0.058 0.000 -3.943) 3.943 9.826 ( -0.470 0.000 -4.664) 4.687 10.026 ( 5.618 0.000 -1.205) 5.746 10.417 ( -7.805 0.000 -5.727) 9.681 10.651 ( -7.972 0.000 -17.137) 18.900 10.688 ( 1.062 0.000 1.924) 2.198 10.760 ( -0.664 0.000 -0.577) 0.879 12.329 ( 0.334 0.000 2.411) 2.434 12.568 ( 2.716 0.000 -0.469) 2.756 12.577 ( -7.281 0.000 -9.568) 12.023 12.826 ( -3.382 0.000 -9.839) 10.404 13.115 ( 0.995 0.000 10.710) 10.756 13.294 ( -4.757 0.000 9.114) 10.281 13.556 ( 5.574 0.000 -2.056) 5.941 13.595 ( 5.105 0.000 8.499) 9.914 13.781 ( -1.564 0.000 -6.653) 6.835 13.850 ( 11.032 0.000 -4.030) 11.745 13.885 ( -0.950 0.000 13.206) 13.241 14.306 ( -2.092 0.000 -7.707) 7.986 15.222 ( 0.599 0.000 2.771) 2.835 15.264 ( -0.417 0.000 1.038) 1.119 15.428 ( 1.046 0.000 1.311) 1.677 15.513 ( 0.520 0.000 -4.713) 4.741 15.865 ( -3.286 0.000 1.325) 3.543 15.915 ( -3.246 0.000 -1.031) 3.405 17.045 ( 0.972 0.000 -2.044) 2.263 17.184 ( -2.175 0.000 -7.606) 7.911 18.214 ( 0.998 0.000 3.185) 3.337 18.369 ( -2.999 0.000 -3.482) 4.596 23.694 ( 1.385 0.000 6.219) 6.371 23.871 ( -4.337 0.000 3.496) 5.570 24.054 ( 4.509 0.000 -3.647) 5.800 24.245 ( -1.575 0.000 -7.000) 7.175 24.597 ( -0.174 0.000 0.499) 0.529 24.606 ( -0.039 0.000 0.146) 0.151 24.924 ( 0.474 0.000 2.366) 2.413 24.946 ( 0.101 0.000 1.265) 1.269 26.586 ( 6.435 0.000 6.760) 9.334 26.811 ( 9.294 0.000 -3.337) 9.875 27.333 ( -6.025 0.000 10.769) 12.340 27.926 ( -13.171 0.000 -16.484) 21.099 29.321 ( 1.680 0.000 6.555) 6.767 29.386 ( 2.245 0.000 3.908) 4.507 29.995 ( 5.372 0.000 8.658) 10.189 30.393 ( -4.087 0.000 -10.251) 11.036 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 10.169 0.000 20.387) 22.782 2.914 ( 10.288 0.000 16.091) 19.099 2.917 ( -10.641 0.000 15.048) 18.431 3.108 ( -9.359 0.000 11.493) 14.821 3.363 ( 0.499 0.000 -7.371) 7.387 3.459 ( -8.136 0.000 -5.570) 9.860 3.518 ( 7.537 0.000 -7.518) 10.646 3.667 ( -7.785 0.000 -10.858) 13.360 4.291 ( 9.604 0.000 11.508) 14.989 4.425 ( -2.360 0.000 6.462) 6.880 4.530 ( 1.038 0.000 -2.636) 2.833 4.549 ( -0.822 0.000 -3.835) 3.922 4.743 ( 5.764 0.000 1.587) 5.979 4.874 ( -5.912 0.000 -2.036) 6.253 5.056 ( 3.379 0.000 -3.765) 5.059 5.084 ( 0.838 0.000 -5.581) 5.643 5.855 ( -0.567 0.000 -2.483) 2.547 5.861 ( -0.998 0.000 -2.712) 2.890 6.091 ( 0.568 0.000 -3.096) 3.147 6.122 ( -2.485 0.000 -4.437) 5.085 6.521 ( 0.236 0.000 2.700) 2.710 6.530 ( -0.631 0.000 2.068) 2.162 6.633 ( 4.820 0.000 4.882) 6.860 6.708 ( -2.709 0.000 2.282) 3.542 7.011 ( 2.812 0.000 -2.686) 3.888 7.059 ( -2.104 0.000 -4.953) 5.382 7.312 ( 1.042 0.000 17.956) 17.987 7.372 ( -5.323 0.000 17.419) 18.214 7.622 ( -0.221 0.000 -4.361) 4.366 7.645 ( -2.620 0.000 -7.043) 7.514 7.929 ( 7.456 0.000 -1.564) 7.618 8.069 ( -5.748 0.000 -2.025) 6.095 8.241 ( 6.626 0.000 -10.252) 12.207 8.369 ( -5.673 0.000 -8.244) 10.007 8.609 ( 0.333 0.000 2.340) 2.364 8.611 ( 0.078 0.000 1.931) 1.932 9.249 ( 12.471 0.000 6.802) 14.205 9.463 ( -9.377 0.000 3.996) 10.193 9.808 ( 0.296 0.000 -4.170) 4.181 9.816 ( -0.550 0.000 -4.449) 4.483 9.828 ( 15.536 0.000 -2.924) 15.809 10.085 ( -6.404 0.000 4.100) 7.603 10.289 ( 1.666 0.000 -17.782) 17.860 10.456 ( -11.377 0.000 -16.945) 20.411 10.714 ( 1.539 0.000 1.283) 2.004 10.741 ( -1.295 0.000 0.333) 1.337 12.357 ( 2.838 0.000 -1.046) 3.024 12.442 ( -6.108 0.000 -5.147) 7.988 12.641 ( 4.777 0.000 -2.720) 5.497 12.740 ( -5.255 0.000 -6.077) 8.034 13.149 ( 2.517 0.000 8.786) 9.139 13.210 ( -3.892 0.000 8.063) 8.953 13.658 ( 4.857 0.000 -2.733) 5.573 13.717 ( 6.732 0.000 10.175) 12.200 13.735 ( -3.260 0.000 -4.734) 5.748 13.825 ( -4.378 0.000 10.821) 11.673 14.079 ( 10.642 0.000 -4.709) 11.638 14.235 ( -5.728 0.000 -6.586) 8.728 15.237 ( 0.872 0.000 2.176) 2.345 15.253 ( -0.760 0.000 1.519) 1.698 15.465 ( 2.681 0.000 0.561) 2.739 15.510 ( -1.317 0.000 -2.489) 2.816 15.814 ( -1.015 0.000 0.377) 1.082 15.843 ( -3.549 0.000 -0.988) 3.684 17.077 ( 2.386 0.000 -3.160) 3.959 17.131 ( -3.117 0.000 -5.311) 6.159 18.246 ( 2.380 0.000 1.258) 2.692 18.303 ( -3.534 0.000 -1.152) 3.717 23.733 ( 2.656 0.000 5.493) 6.101 23.794 ( -3.693 0.000 4.428) 5.765 24.135 ( 3.981 0.000 -4.773) 6.215 24.202 ( -2.954 0.000 -6.079) 6.759 24.597 ( 0.162 0.000 0.253) 0.300 24.602 ( -0.284 0.000 0.059) 0.290 24.935 ( 0.648 0.000 2.193) 2.287 24.945 ( -0.317 0.000 1.727) 1.756 26.754 ( 10.484 0.000 8.199) 13.310 26.920 ( -3.248 0.000 4.986) 5.950 27.313 ( 9.250 0.000 -3.381) 9.849 27.613 ( -18.273 0.000 -12.714) 22.260 29.367 ( 2.600 0.000 6.850) 7.327 29.402 ( -0.705 0.000 5.625) 5.669 30.131 ( 8.210 0.000 1.325) 8.316 30.283 ( -7.266 0.000 -5.531) 9.132 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 0.000 11.341 21.906) 24.668 2.699 ( 0.000 2.307 21.987) 22.108 3.256 ( 0.000 -0.791 8.078) 8.117 3.325 ( 0.000 9.961 -7.033) 12.194 3.381 ( 0.000 3.085 -1.038) 3.255 3.710 ( 0.000 7.188 7.903) 10.683 3.727 ( 0.000 -6.826 -10.107) 12.196 3.865 ( 0.000 7.609 12.400) 14.549 4.061 ( 0.000 6.294 -4.935) 7.998 4.114 ( 0.000 5.648 -3.195) 6.489 4.569 ( 0.000 3.823 3.740) 5.349 4.669 ( 0.000 10.052 -3.157) 10.536 4.840 ( 0.000 6.228 1.205) 6.343 4.947 ( 0.000 -1.611 -2.352) 2.851 4.973 ( 0.000 1.273 -2.248) 2.584 4.986 ( 0.000 -0.593 -4.696) 4.733 6.020 ( 0.000 12.956 -1.405) 13.032 6.048 ( 0.000 14.162 -2.900) 14.456 6.076 ( 0.000 -3.562 -4.660) 5.865 6.160 ( 0.000 -3.500 -6.997) 7.824 6.391 ( 0.000 -4.569 2.197) 5.070 6.480 ( 0.000 -5.233 -0.897) 5.309 6.715 ( 0.000 0.012 4.077) 4.077 6.718 ( 0.000 10.336 6.393) 12.154 7.087 ( 0.000 8.884 3.036) 9.389 7.125 ( 0.000 3.080 -6.416) 7.117 7.327 ( 0.000 1.997 9.427) 9.636 7.529 ( 0.000 -6.680 20.612) 21.667 7.607 ( 0.000 0.883 3.214) 3.333 7.745 ( 0.000 0.366 -7.386) 7.395 7.838 ( 0.000 2.670 -3.622) 4.499 7.940 ( 0.000 -1.969 -7.362) 7.621 8.224 ( 0.000 -2.000 -12.394) 12.555 8.395 ( 0.000 -4.112 -7.945) 8.946 8.674 ( 0.000 6.200 2.959) 6.870 8.686 ( 0.000 6.408 1.550) 6.593 8.903 ( 0.000 -2.820 9.253) 9.673 9.421 ( 0.000 -4.356 -11.678) 12.464 9.516 ( 0.000 -11.163 2.827) 11.515 9.686 ( 0.000 -11.116 -3.630) 11.694 9.832 ( 0.000 -0.379 -2.636) 2.664 10.002 ( 0.000 0.731 -3.023) 3.110 10.473 ( 0.000 -1.556 -3.173) 3.534 10.667 ( 0.000 -4.118 -14.367) 14.946 10.759 ( 0.000 7.069 1.467) 7.220 10.825 ( 0.000 3.909 -0.899) 4.011 12.117 ( 0.000 -16.570 2.790) 16.803 12.248 ( 0.000 -18.016 -5.046) 18.710 12.836 ( 0.000 7.312 -6.109) 9.529 12.915 ( 0.000 2.989 -8.436) 8.950 13.121 ( 0.000 1.253 9.466) 9.549 13.393 ( 0.000 -5.662 -1.565) 5.875 13.457 ( 0.000 6.857 11.450) 13.346 13.607 ( 0.000 2.997 1.812) 3.503 13.751 ( 0.000 2.816 -1.064) 3.010 13.839 ( 0.000 2.992 -4.102) 5.077 13.898 ( 0.000 1.921 14.192) 14.322 14.374 ( 0.000 5.241 -9.617) 10.952 15.225 ( 0.000 0.810 2.530) 2.657 15.257 ( 0.000 -1.054 0.913) 1.394 15.428 ( 0.000 0.747 0.833) 1.119 15.495 ( 0.000 -0.955 -4.726) 4.821 15.872 ( 0.000 -2.880 1.506) 3.250 15.921 ( 0.000 -2.525 -0.803) 2.650 17.075 ( 0.000 3.644 -2.043) 4.178 17.222 ( 0.000 1.559 -7.934) 8.086 18.135 ( 0.000 -6.462 2.710) 7.007 18.252 ( 0.000 -13.008 -1.747) 13.125 23.862 ( 0.000 14.288 4.315) 14.926 23.988 ( 0.000 6.137 5.109) 7.985 24.091 ( 0.000 9.899 -6.366) 11.769 24.242 ( 0.000 -0.749 -5.896) 5.943 24.663 ( 0.000 5.284 0.851) 5.353 24.693 ( 0.000 7.656 -0.678) 7.686 24.890 ( 0.000 -2.734 2.238) 3.533 24.915 ( 0.000 -2.779 0.932) 2.931 26.518 ( 0.000 -0.426 5.785) 5.800 26.701 ( 0.000 -0.885 -2.861) 2.995 27.389 ( 0.000 -1.152 12.122) 12.176 28.009 ( 0.000 -4.972 -17.158) 17.863 29.304 ( 0.000 -0.594 5.804) 5.834 29.351 ( 0.000 0.248 3.868) 3.876 29.905 ( 0.000 -3.445 11.615) 12.115 30.350 ( 0.000 -7.609 -9.899) 12.485 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 5.447 10.428 20.523) 23.655 2.757 ( 6.163 1.622 19.543) 20.556 3.155 ( -7.797 2.617 8.012) 11.482 3.276 ( -4.865 3.965 0.188) 6.279 3.428 ( 0.739 3.057 -4.540) 5.523 3.571 ( -5.300 7.227 1.624) 9.108 3.617 ( -9.966 1.258 -2.836) 10.438 3.869 ( -3.809 4.866 -4.731) 7.782 4.136 ( 8.063 5.586 7.283) 12.217 4.293 ( 13.549 1.465 -1.706) 13.735 4.563 ( -1.158 3.407 3.699) 5.161 4.677 ( 0.490 10.787 -3.616) 11.387 4.809 ( -1.686 6.681 2.539) 7.344 4.911 ( -2.821 -2.464 -1.704) 4.115 5.008 ( 2.939 1.561 -3.696) 4.973 5.052 ( 5.046 1.834 -5.120) 7.419 5.995 ( -3.114 6.739 -2.803) 7.935 6.007 ( -1.469 11.149 -2.426) 11.504 6.102 ( 1.214 4.305 -2.985) 5.377 6.162 ( -0.132 -0.384 -5.937) 5.951 6.397 ( 0.973 -5.441 2.093) 5.911 6.486 ( 0.027 -3.865 -1.110) 4.022 6.728 ( 1.363 7.455 6.596) 10.047 6.740 ( 2.133 3.299 4.234) 5.776 7.074 ( -1.084 7.056 2.284) 7.495 7.115 ( -1.026 3.666 -5.883) 7.007 7.314 ( -1.227 1.222 10.961) 11.097 7.441 ( -6.905 -5.250 18.456) 20.393 7.630 ( 0.725 0.170 0.738) 1.048 7.710 ( -3.147 0.321 -8.084) 8.681 7.836 ( 1.750 1.059 -2.276) 3.060 8.028 ( 6.396 -1.107 -3.977) 7.613 8.191 ( -2.925 -2.600 -11.684) 12.322 8.392 ( -1.032 -3.581 -8.454) 9.239 8.686 ( 0.736 7.010 2.189) 7.381 8.689 ( 0.369 6.605 1.763) 6.846 8.986 ( 8.461 -4.152 8.479) 12.678 9.478 ( -3.007 -9.583 -0.946) 10.088 9.513 ( 8.391 -5.505 -5.568) 11.476 9.706 ( 1.691 -10.151 -4.501) 11.232 9.825 ( -0.485 -0.504 -2.829) 2.915 10.038 ( 3.765 -0.232 -3.067) 4.861 10.390 ( -8.483 -2.073 -4.948) 10.037 10.589 ( -8.049 -4.700 -14.518) 17.252 10.765 ( 0.526 6.469 0.770) 6.536 10.811 ( -1.042 4.174 -0.125) 4.304 12.118 ( 0.259 -16.280 1.435) 16.345 12.227 ( -2.100 -17.951 -5.261) 18.824 12.813 ( -1.266 8.479 -4.111) 9.507 12.906 ( -1.314 4.274 -7.778) 8.972 13.134 ( 1.264 1.635 8.973) 9.208 13.349 ( -4.834 2.444 3.080) 6.231 13.489 ( 3.836 -1.210 6.222) 7.408 13.630 ( 3.426 0.441 3.060) 4.615 13.807 ( -1.602 2.476 -0.541) 2.999 13.833 ( 2.973 -2.678 1.522) 4.281 13.965 ( 7.831 7.883 6.113) 12.682 14.359 ( -1.837 5.557 -8.870) 10.627 15.229 ( 0.317 0.517 2.332) 2.409 15.254 ( -0.270 -0.924 1.055) 1.428 15.433 ( 0.730 0.407 1.165) 1.434 15.503 ( 0.623 -0.845 -4.302) 4.429 15.838 ( -3.037 -2.602 1.408) 4.240 15.889 ( -3.199 -2.513 -1.016) 4.193 17.080 ( 0.671 3.394 -2.245) 4.124 17.201 ( -2.123 1.603 -6.998) 7.487 18.141 ( 0.635 -6.732 2.194) 7.109 18.234 ( -1.748 -11.915 -1.312) 12.114 23.865 ( 0.404 13.626 4.612) 14.391 23.959 ( -2.359 8.410 4.419) 9.788 24.123 ( 2.665 7.423 -5.575) 9.659 24.237 ( -0.601 0.216 -6.123) 6.156 24.661 ( -0.123 5.343 0.772) 5.399 24.688 ( -0.534 7.225 -0.564) 7.266 24.895 ( 0.517 -2.679 2.248) 3.535 24.917 ( 0.138 -2.741 1.102) 2.957 26.581 ( 6.443 -0.402 6.483) 9.149 26.800 ( 9.233 -1.025 -3.567) 9.951 27.318 ( -6.350 -1.393 10.309) 12.188 27.878 ( -12.832 -4.629 -15.598) 20.722 29.320 ( 2.024 -0.069 6.663) 6.964 29.388 ( 2.435 0.302 3.762) 4.491 29.948 ( 4.550 -4.300 8.734) 10.746 30.312 ( -3.839 -7.405 -8.418) 11.851 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 8.513 7.347 16.408) 19.892 2.929 ( 11.398 2.572 15.552) 19.453 2.992 ( -9.050 4.585 11.581) 15.396 3.147 ( -9.725 4.317 10.260) 14.781 3.367 ( -1.255 1.215 -4.588) 4.910 3.437 ( -7.630 -0.608 -5.442) 9.392 3.616 ( 6.072 7.225 -6.951) 11.721 3.747 ( -7.364 5.789 -8.214) 12.458 4.313 ( 8.976 3.314 10.308) 14.064 4.442 ( -2.568 2.554 6.672) 7.592 4.570 ( 5.662 2.979 -3.286) 7.192 4.663 ( -2.630 9.330 -4.535) 10.703 4.805 ( 1.382 6.241 2.673) 6.929 4.852 ( -3.133 0.169 0.865) 3.254 5.081 ( 3.896 2.234 -4.584) 6.417 5.116 ( 0.878 2.817 -5.902) 6.598 5.956 ( -0.516 6.883 -2.724) 7.421 5.974 ( -1.834 9.036 -3.050) 9.711 6.123 ( 1.130 4.995 -1.920) 5.469 6.147 ( -1.284 3.607 -3.006) 4.868 6.430 ( 2.237 -5.011 0.410) 5.503 6.470 ( -1.641 -3.568 -0.793) 4.006 6.764 ( 2.037 7.333 7.034) 10.363 6.778 ( 1.054 5.058 5.213) 7.339 7.062 ( 0.297 3.982 -0.144) 3.995 7.088 ( -1.799 3.955 -4.061) 5.948 7.294 ( -0.356 -0.743 13.926) 13.951 7.325 ( -4.161 -3.879 16.909) 17.841 7.628 ( -0.067 0.585 -4.889) 4.924 7.651 ( -2.482 0.449 -7.456) 7.871 7.920 ( 6.435 -0.741 -1.034) 6.559 8.046 ( -5.531 -2.188 -2.138) 6.320 8.216 ( 6.468 -1.761 -9.806) 11.879 8.335 ( -5.014 -2.609 -8.833) 10.487 8.694 ( 0.311 6.865 1.778) 7.098 8.696 ( 0.122 7.278 1.952) 7.536 9.187 ( 11.252 -6.056 6.622) 14.392 9.373 ( -7.751 -8.306 4.531) 12.231 9.696 ( 6.039 -7.173 -5.216) 10.729 9.734 ( 0.517 -7.446 -5.124) 9.053 9.869 ( 8.887 0.102 -3.573) 9.579 10.094 ( -5.964 0.540 3.173) 6.777 10.225 ( 0.072 -5.603 -16.523) 17.447 10.390 ( -11.523 -5.553 -14.316) 19.197 10.778 ( 0.773 5.558 0.475) 5.631 10.793 ( -0.851 4.631 0.255) 4.716 12.135 ( 1.631 -16.189 -1.576) 16.347 12.178 ( -2.696 -17.043 -4.304) 17.784 12.817 ( 1.734 8.886 -3.264) 9.624 12.864 ( -2.758 6.992 -5.237) 9.161 13.173 ( 2.992 2.236 7.330) 8.227 13.249 ( -4.928 3.252 5.601) 8.138 13.584 ( 5.377 -3.592 3.941) 7.573 13.663 ( -1.879 -2.794 2.202) 4.023 13.800 ( 2.064 1.726 4.205) 4.992 13.844 ( -1.445 -0.369 3.817) 4.097 14.149 ( 9.536 7.168 -2.213) 12.133 14.293 ( -5.388 6.187 -6.396) 10.403 15.237 ( 0.494 -0.138 1.887) 1.955 15.247 ( -0.523 -0.655 1.443) 1.669 15.463 ( 2.406 -0.101 0.550) 2.470 15.503 ( -1.085 -0.565 -2.264) 2.574 15.790 ( -0.953 -2.274 0.416) 2.500 15.818 ( -3.435 -2.355 -0.899) 4.261 17.104 ( 1.925 2.714 -3.162) 4.590 17.151 ( -2.802 1.970 -4.970) 6.036 18.160 ( 1.460 -7.734 0.989) 7.933 18.195 ( -2.097 -9.648 -0.294) 9.877 23.881 ( 1.278 12.222 4.936) 13.243 23.914 ( -2.167 10.593 4.714) 11.795 24.175 ( 2.594 4.693 -5.815) 7.910 24.216 ( -1.642 2.322 -6.225) 6.844 24.663 ( 0.397 5.654 0.412) 5.683 24.675 ( -0.766 6.374 -0.150) 6.422 24.907 ( 0.660 -2.632 2.044) 3.397 24.917 ( -0.288 -2.671 1.565) 3.109 26.749 ( 10.502 -0.359 7.687) 13.019 26.914 ( -2.937 -0.439 4.155) 5.107 27.283 ( 8.415 -2.845 -2.863) 9.333 27.572 ( -17.803 -3.872 -12.048) 21.842 29.371 ( 2.808 0.439 6.811) 7.380 29.408 ( -0.658 0.611 5.490) 5.563 30.068 ( 7.475 -5.787 2.010) 9.665 30.209 ( -6.797 -6.814 -4.264) 10.526 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 0.000 5.317 18.161) 18.923 2.847 ( 0.000 8.108 13.951) 16.136 3.241 ( 0.000 -0.698 8.358) 8.387 3.440 ( 0.000 3.036 -4.132) 5.127 3.495 ( 0.000 3.799 -4.505) 5.893 3.579 ( 0.000 -7.194 -9.681) 12.062 3.845 ( 0.000 5.878 12.219) 13.560 4.149 ( 0.000 16.464 8.296) 18.436 4.173 ( 0.000 7.919 -2.978) 8.461 4.288 ( 0.000 6.618 -0.509) 6.637 4.658 ( 0.000 6.360 7.916) 10.155 4.854 ( 0.000 3.482 0.191) 3.487 4.993 ( 0.000 9.695 -6.644) 11.753 4.998 ( 0.000 4.552 -2.091) 5.009 5.008 ( 0.000 3.709 -2.277) 4.352 5.073 ( 0.000 11.502 -6.757) 13.340 5.959 ( 0.000 -7.715 -3.653) 8.536 6.033 ( 0.000 -8.543 -5.921) 10.394 6.266 ( 0.000 1.126 1.655) 2.002 6.367 ( 0.000 -3.454 0.079) 3.455 6.430 ( 0.000 16.624 -0.855) 16.646 6.453 ( 0.000 22.379 -4.200) 22.770 6.768 ( 0.000 4.551 9.660) 10.678 6.908 ( 0.000 7.040 10.062) 12.280 7.158 ( 0.000 -0.852 15.666) 15.689 7.243 ( 0.000 8.690 -5.781) 10.437 7.379 ( 0.000 -6.715 19.190) 20.331 7.468 ( 0.000 8.860 -6.713) 11.116 7.635 ( 0.000 1.516 3.908) 4.191 7.744 ( 0.000 -0.497 -8.515) 8.529 7.910 ( 0.000 0.507 -7.450) 7.467 7.936 ( 0.000 6.880 -6.053) 9.164 8.155 ( 0.000 -5.096 -10.554) 11.720 8.285 ( 0.000 -6.754 -9.530) 11.681 8.732 ( 0.000 -4.429 7.626) 8.819 8.819 ( 0.000 5.376 1.268) 5.524 8.899 ( 0.000 5.770 0.213) 5.774 9.247 ( 0.000 -14.192 -7.144) 15.889 9.328 ( 0.000 -3.923 -3.340) 5.152 9.426 ( 0.000 -13.253 -3.558) 13.722 9.762 ( 0.000 -6.120 -1.650) 6.338 9.956 ( 0.000 -5.418 -5.401) 7.650 10.445 ( 0.000 -1.020 -2.344) 2.556 10.579 ( 0.000 -4.209 -9.928) 10.783 10.922 ( 0.000 5.496 1.023) 5.591 10.934 ( 0.000 9.243 -1.014) 9.298 11.754 ( 0.000 -17.289 1.770) 17.380 11.878 ( 0.000 -17.090 -6.296) 18.213 12.945 ( 0.000 4.036 -3.660) 5.448 12.964 ( 0.000 2.290 -4.439) 4.995 13.158 ( 0.000 2.293 4.965) 5.469 13.282 ( 0.000 -4.742 -0.599) 4.779 13.536 ( 0.000 0.572 7.328) 7.350 13.636 ( 0.000 -0.197 1.007) 1.026 13.736 ( 0.000 -3.498 5.664) 6.657 13.858 ( 0.000 -1.980 -0.437) 2.028 14.109 ( 0.000 16.721 9.932) 19.449 14.547 ( 0.000 10.742 -10.202) 14.814 15.228 ( 0.000 -1.788 0.771) 1.947 15.243 ( 0.000 0.556 0.958) 1.108 15.449 ( 0.000 1.204 0.387) 1.264 15.473 ( 0.000 -0.896 -3.156) 3.281 15.789 ( 0.000 -4.841 1.871) 5.190 15.848 ( 0.000 -4.445 -1.060) 4.570 17.181 ( 0.000 6.480 -2.653) 7.002 17.268 ( 0.000 2.882 -6.028) 6.681 17.943 ( 0.000 -15.282 2.062) 15.421 17.961 ( 0.000 -9.795 0.074) 9.795 24.046 ( 0.000 6.885 5.781) 8.990 24.255 ( 0.000 2.729 -3.473) 4.417 24.318 ( 0.000 19.943 -4.090) 20.358 24.339 ( 0.000 11.883 -3.433) 12.369 24.765 ( 0.000 -0.044 1.974) 1.974 24.838 ( 0.000 -4.039 -0.162) 4.043 24.841 ( 0.000 2.222 1.475) 2.667 24.868 ( 0.000 8.205 -1.704) 8.380 26.513 ( 0.000 0.076 5.162) 5.162 26.676 ( 0.000 -1.503 -2.797) 3.176 27.365 ( 0.000 -0.736 9.564) 9.593 27.864 ( 0.000 -8.776 -14.022) 16.542 29.296 ( 0.000 0.013 6.408) 6.408 29.359 ( 0.000 0.537 3.402) 3.444 29.817 ( 0.000 -4.586 10.550) 11.504 30.149 ( 0.000 -10.955 -5.262) 12.153 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 3.173 3.781 14.941) 15.735 2.889 ( 4.656 7.270 12.809) 15.447 3.179 ( -5.620 0.501 7.240) 9.179 3.349 ( -6.233 2.525 -2.772) 7.274 3.484 ( -3.279 0.053 -0.437) 3.308 3.595 ( 1.287 0.212 -9.421) 9.511 3.763 ( -8.738 5.058 7.055) 12.317 3.988 ( -9.315 6.453 0.077) 11.332 4.310 ( 6.618 10.763 6.419) 14.172 4.393 ( 11.626 7.672 -1.053) 13.969 4.669 ( 0.263 7.998 8.056) 11.355 4.868 ( 0.556 2.069 0.087) 2.144 4.962 ( -1.843 13.184 -5.276) 14.320 4.969 ( 0.120 6.008 0.859) 6.070 5.091 ( 3.948 5.774 -4.672) 8.411 5.128 ( 5.011 7.452 -6.586) 11.136 5.958 ( 0.814 -5.565 -2.681) 6.230 6.057 ( 1.658 -5.834 -6.191) 8.667 6.264 ( -0.137 0.098 2.420) 2.426 6.341 ( -2.027 2.812 1.553) 3.799 6.452 ( 0.818 19.341 -1.894) 19.451 6.469 ( 1.876 12.523 -5.084) 13.646 6.786 ( 2.058 3.956 9.114) 10.147 6.909 ( 0.035 6.282 10.528) 12.260 7.137 ( -2.046 0.093 13.092) 13.251 7.241 ( -0.292 7.675 -0.897) 7.733 7.318 ( -4.864 -5.036 16.527) 17.949 7.447 ( -2.642 10.249 -7.265) 12.838 7.637 ( 0.133 0.140 1.273) 1.288 7.707 ( -3.166 -0.725 -9.217) 9.772 7.876 ( -0.120 2.997 -3.119) 4.327 8.021 ( 3.236 0.303 -4.528) 5.574 8.121 ( -0.911 -3.289 -9.894) 10.466 8.300 ( 0.423 -5.537 -9.974) 11.416 8.813 ( 7.177 -2.710 5.700) 9.557 8.824 ( 0.628 5.496 1.164) 5.653 8.895 ( 0.035 2.444 1.106) 2.683 9.229 ( -2.492 -13.390 -1.200) 13.673 9.400 ( 7.504 -5.147 -7.796) 11.983 9.455 ( 2.981 -13.194 -4.896) 14.385 9.758 ( 0.110 -5.513 -1.651) 5.756 9.982 ( 2.906 -5.500 -5.860) 8.546 10.352 ( -9.517 -1.327 -2.845) 10.021 10.482 ( -9.504 -5.068 -9.471) 14.343 10.914 ( -0.403 6.290 0.502) 6.323 10.931 ( -0.373 8.492 -1.047) 8.564 11.764 ( 0.996 -16.823 0.472) 16.859 11.862 ( -1.553 -16.827 -5.976) 17.925 12.944 ( 0.306 5.112 -2.759) 5.817 12.970 ( 0.435 2.673 -4.148) 4.954 13.180 ( 1.962 2.725 5.138) 6.138 13.307 ( 1.765 -3.914 -0.712) 4.352 13.539 ( -1.205 2.497 6.923) 7.458 13.619 ( 1.132 -1.381 2.324) 2.931 13.739 ( -0.649 -5.261 6.034) 8.032 13.835 ( -1.472 -1.697 -0.024) 2.246 14.199 ( 8.042 14.792 6.348) 17.994 14.540 ( -0.968 11.301 -8.955) 14.451 15.223 ( -0.495 -1.929 1.183) 2.317 15.240 ( -0.332 -0.078 0.763) 0.835 15.445 ( 0.107 0.837 0.858) 1.203 15.484 ( 0.842 -0.773 -2.957) 3.170 15.763 ( -2.419 -4.435 1.550) 5.284 15.816 ( -3.090 -4.404 -1.039) 5.479 17.181 ( 0.103 6.274 -2.731) 6.843 17.251 ( -1.686 3.245 -5.316) 6.453 17.947 ( 0.367 -14.407 1.554) 14.495 17.961 ( -0.022 -10.069 0.038) 10.069 24.059 ( 1.275 7.342 5.508) 9.267 24.212 ( -3.284 7.346 -0.994) 8.108 24.339 ( 1.183 13.443 -4.021) 14.081 24.354 ( 1.324 13.664 -5.267) 14.703 24.766 ( 0.239 0.789 2.085) 2.242 24.839 ( 0.228 -0.719 0.428) 0.867 24.843 ( -0.286 -0.716 1.034) 1.290 24.858 ( -0.730 6.649 -1.467) 6.848 26.577 ( 6.589 0.235 5.535) 8.608 26.771 ( 9.187 -1.693 -3.852) 10.105 27.287 ( -7.388 -1.232 8.559) 11.374 27.743 ( -11.887 -8.179 -12.845) 19.318 29.324 ( 2.901 0.664 6.772) 7.397 29.401 ( 3.133 0.965 3.273) 4.633 29.836 ( 2.276 -6.061 8.773) 10.903 30.116 ( -3.398 -10.796 -4.314) 12.112 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 7.029 2.506 9.571) 12.136 3.032 ( 7.806 4.513 10.378) 13.748 3.055 ( -4.904 2.247 5.636) 7.801 3.228 ( -7.605 2.082 2.156) 8.175 3.416 ( -2.005 2.346 1.849) 3.597 3.481 ( -9.598 4.260 1.726) 10.642 3.717 ( 3.875 0.918 -5.963) 7.171 3.824 ( -7.237 0.553 -4.649) 8.620 4.462 ( 7.873 10.925 8.668) 16.015 4.556 ( 0.656 8.633 5.273) 10.137 4.688 ( 5.298 9.242 0.911) 10.692 4.817 ( -5.743 6.279 -2.717) 8.933 4.969 ( 1.548 10.883 0.080) 10.993 4.981 ( 0.370 7.255 2.239) 7.601 5.160 ( 3.271 5.792 -5.125) 8.397 5.192 ( 0.694 4.794 -5.833) 7.582 6.006 ( 3.845 -0.620 -2.823) 4.810 6.065 ( -1.417 -0.153 -5.135) 5.329 6.267 ( 0.762 -0.773 3.163) 3.344 6.299 ( -2.258 2.305 2.446) 4.049 6.470 ( 1.159 16.530 -3.484) 16.932 6.488 ( -0.253 11.969 -4.551) 12.808 6.844 ( 3.651 3.106 8.455) 9.719 6.900 ( -1.564 4.201 9.929) 10.894 7.112 ( 0.687 0.375 12.820) 12.844 7.177 ( -5.329 -0.116 15.764) 16.641 7.299 ( 2.751 6.002 -1.032) 6.683 7.374 ( -4.501 9.543 -4.262) 11.380 7.637 ( 0.076 -0.182 -5.058) 5.062 7.654 ( -1.943 -0.488 -8.385) 8.621 7.907 ( 3.080 -0.361 -0.625) 3.164 7.981 ( -4.362 -4.081 -2.282) 6.394 8.194 ( 5.501 0.070 -8.454) 10.087 8.277 ( -2.910 -2.823 -9.289) 10.135 8.841 ( 1.160 6.177 0.845) 6.341 8.863 ( -0.923 7.780 0.243) 7.838 9.001 ( 9.016 -11.600 5.116) 15.557 9.149 ( -6.041 -12.623 2.541) 14.222 9.512 ( 3.797 -10.922 -5.635) 12.863 9.543 ( 2.465 -10.012 -7.789) 12.922 9.831 ( 10.235 -2.936 -3.419) 11.183 10.077 ( 7.415 -5.815 -7.364) 11.959 10.104 ( -15.512 -1.983 -3.968) 16.134 10.265 ( -11.801 -5.815 -8.416) 15.617 10.913 ( 0.254 6.921 -0.278) 6.932 10.921 ( -0.568 7.750 -0.898) 7.823 11.790 ( 1.705 -16.299 -2.257) 16.542 11.827 ( -2.008 -16.380 -4.676) 17.152 12.959 ( 1.043 5.617 -2.211) 6.126 12.973 ( -0.266 4.275 -2.966) 5.210 13.229 ( 3.337 2.878 4.075) 6.002 13.298 ( -3.066 0.737 1.021) 3.315 13.548 ( 3.237 -0.210 6.743) 7.483 13.622 ( -2.972 -1.555 4.577) 5.675 13.749 ( 2.820 -5.582 3.286) 7.065 13.804 ( -2.264 -3.766 0.905) 4.486 14.365 ( 8.404 13.160 0.827) 15.637 14.492 ( -4.549 12.326 -4.912) 14.027 15.216 ( 0.094 -2.251 1.354) 2.629 15.228 ( -0.862 -1.359 0.896) 1.842 15.465 ( 1.806 0.370 0.607) 1.941 15.492 ( -0.463 -0.318 -1.516) 1.617 15.724 ( -0.816 -4.004 0.423) 4.108 15.749 ( -3.174 -4.181 -0.740) 5.301 17.189 ( 0.853 5.511 -3.116) 6.388 17.215 ( -1.786 4.290 -4.027) 6.148 17.955 ( 0.362 -12.587 0.660) 12.609 17.960 ( -0.165 -10.989 0.130) 10.991 24.094 ( 2.433 8.237 4.420) 9.660 24.149 ( -3.219 8.624 2.165) 9.456 24.360 ( 0.948 12.316 -4.768) 13.241 24.370 ( 0.087 13.035 -5.760) 14.251 24.781 ( 1.469 2.638 1.670) 3.451 24.816 ( -1.973 4.320 0.676) 4.797 24.847 ( 0.406 -1.415 0.423) 1.531 24.853 ( -0.168 0.076 -0.084) 0.202 26.749 ( 10.738 0.601 6.088) 12.358 26.911 ( -1.336 0.374 1.545) 2.077 27.201 ( 5.304 -4.889 -1.197) 7.312 27.459 ( -16.574 -6.933 -10.024) 20.573 29.390 ( 3.436 1.598 6.634) 7.640 29.432 ( -0.454 1.915 5.037) 5.408 29.912 ( 5.563 -8.800 3.548) 10.999 30.026 ( -5.829 -10.235 -1.424) 11.865 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 0.000 5.764 11.756) 13.093 2.959 ( 0.000 3.241 5.038) 5.991 3.241 ( 0.000 0.997 6.736) 6.809 3.411 ( 0.000 -7.095 -2.082) 7.394 3.484 ( 0.000 0.777 2.680) 2.791 3.517 ( 0.000 -1.749 -3.173) 3.624 3.963 ( 0.000 6.110 7.381) 9.582 4.247 ( 0.000 -3.479 -2.085) 4.056 4.413 ( 0.000 6.215 0.293) 6.221 4.421 ( 0.000 8.389 2.164) 8.663 4.836 ( 0.000 9.761 7.071) 12.053 4.961 ( 0.000 9.000 -2.632) 9.377 5.101 ( 0.000 3.776 3.165) 4.927 5.138 ( 0.000 9.387 -1.807) 9.559 5.205 ( 0.000 7.969 -6.430) 10.240 5.277 ( 0.000 5.726 -8.822) 10.518 5.772 ( 0.000 -9.303 -2.206) 9.561 5.836 ( 0.000 -9.738 -4.865) 10.886 6.244 ( 0.000 -0.792 0.930) 1.222 6.292 ( 0.000 -2.947 -0.897) 3.081 6.837 ( 0.000 17.914 3.041) 18.171 6.863 ( 0.000 6.646 14.613) 16.053 6.982 ( 0.000 22.024 -1.768) 22.095 7.001 ( 0.000 3.110 14.441) 14.773 7.150 ( 0.000 3.289 15.380) 15.728 7.262 ( 0.000 -2.907 20.782) 20.985 7.483 ( 0.000 12.088 -10.108) 15.757 7.538 ( 0.000 -3.954 5.600) 6.855 7.633 ( 0.000 -0.475 -9.473) 9.485 7.731 ( 0.000 -0.132 -9.421) 9.422 7.974 ( 0.000 -13.597 -6.769) 15.188 8.035 ( 0.000 7.677 -6.377) 9.980 8.115 ( 0.000 -6.904 -11.671) 13.560 8.126 ( 0.000 11.266 -8.769) 14.276 8.578 ( 0.000 -8.109 1.580) 8.262 8.829 ( 0.000 -9.070 -1.391) 9.176 8.977 ( 0.000 -6.433 -7.813) 10.121 9.053 ( 0.000 6.159 -4.804) 7.811 9.185 ( 0.000 -7.623 -0.807) 7.666 9.314 ( 0.000 1.983 -6.037) 6.354 9.608 ( 0.000 -7.288 1.295) 7.402 9.790 ( 0.000 -9.973 -5.088) 11.196 10.436 ( 0.000 0.193 -1.662) 1.673 10.503 ( 0.000 -3.045 -4.712) 5.611 11.049 ( 0.000 6.810 0.871) 6.865 11.124 ( 0.000 9.125 -3.931) 9.936 11.438 ( 0.000 -12.968 0.840) 12.995 11.564 ( 0.000 -13.241 -6.978) 14.967 13.022 ( 0.000 3.266 -2.359) 4.029 13.027 ( 0.000 4.061 -2.456) 4.746 13.201 ( 0.000 1.002 0.670) 1.205 13.204 ( 0.000 -2.886 0.746) 2.981 13.523 ( 0.000 -0.378 6.484) 6.495 13.610 ( 0.000 -1.972 1.806) 2.674 13.665 ( 0.000 -2.568 6.879) 7.342 13.764 ( 0.000 -6.271 1.754) 6.512 14.473 ( 0.000 16.942 6.785) 18.251 14.753 ( 0.000 7.165 -5.881) 9.269 15.184 ( 0.000 -2.014 -0.193) 2.023 15.234 ( 0.000 -1.570 -1.554) 2.209 15.467 ( 0.000 0.383 -0.822) 0.907 15.473 ( 0.000 1.004 -0.021) 1.004 15.693 ( 0.000 -3.710 1.679) 4.073 15.748 ( 0.000 -4.909 -1.186) 5.050 17.333 ( 0.000 7.986 -3.211) 8.607 17.342 ( 0.000 4.268 -3.265) 5.373 17.667 ( 0.000 -10.888 2.415) 11.152 17.751 ( 0.000 -10.212 -2.109) 10.427 24.208 ( 0.000 8.655 4.270) 9.651 24.344 ( 0.000 5.814 -2.041) 6.162 24.491 ( 0.000 0.332 1.784) 1.815 24.601 ( 0.000 0.132 -3.598) 3.600 24.724 ( 0.000 4.967 -0.281) 4.975 24.791 ( 0.000 1.008 -2.076) 2.308 24.959 ( 0.000 5.897 -0.219) 5.901 25.008 ( 0.000 4.691 -2.958) 5.546 26.530 ( 0.000 1.693 3.691) 4.061 26.637 ( 0.000 -2.360 -1.564) 2.831 27.379 ( 0.000 2.564 4.556) 5.228 27.666 ( 0.000 -9.875 -8.890) 13.287 29.310 ( 0.000 1.339 6.294) 6.435 29.366 ( 0.000 -0.179 3.563) 3.567 29.745 ( 0.000 -1.512 8.312) 8.448 29.931 ( 0.000 -9.560 -0.388) 9.568 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 0.847 4.547 8.607) 9.770 2.983 ( 2.614 2.087 3.579) 4.899 3.204 ( -3.499 2.334 6.118) 7.425 3.350 ( -4.752 -2.715 -1.030) 5.569 3.473 ( -0.706 0.102 1.108) 1.318 3.556 ( 2.125 -3.544 -1.451) 4.380 3.829 ( -12.088 3.212 5.939) 13.846 4.038 ( -16.049 -2.600 -0.981) 16.288 4.519 ( 9.572 7.800 3.121) 12.736 4.569 ( 11.832 7.386 0.501) 13.956 4.867 ( 1.853 9.902 6.908) 12.215 4.984 ( 1.630 9.463 -2.594) 9.946 5.104 ( 0.014 7.653 2.430) 8.030 5.164 ( 0.521 3.380 -1.817) 3.872 5.220 ( 2.253 7.833 -4.609) 9.363 5.292 ( 1.119 4.424 -8.020) 9.227 5.829 ( 6.340 -5.667 -1.841) 8.700 5.903 ( 6.313 -7.890 -4.524) 11.072 6.231 ( -1.298 -0.956 1.538) 2.228 6.296 ( -0.302 -3.289 -1.075) 3.473 6.822 ( -0.854 15.018 3.702) 15.491 6.877 ( 1.236 7.703 13.438) 15.539 6.947 ( -3.395 18.054 0.184) 18.372 6.997 ( -0.560 3.798 14.252) 14.760 7.148 ( -0.357 4.833 14.511) 15.299 7.228 ( -3.116 -0.845 17.955) 18.243 7.471 ( 0.011 10.525 -6.722) 12.488 7.569 ( 1.816 -2.055 0.502) 2.788 7.622 ( -0.950 -0.441 -8.963) 9.024 7.706 ( -3.229 2.054 -9.478) 10.222 7.903 ( -4.095 -8.658 -4.885) 10.751 7.985 ( -4.301 1.126 -6.224) 7.649 8.164 ( 4.607 1.981 -8.399) 9.783 8.193 ( 3.958 3.667 -9.693) 11.093 8.615 ( 3.632 -11.235 1.677) 11.926 8.822 ( -0.863 -10.428 -0.938) 10.506 8.992 ( 1.026 -3.681 -6.772) 7.776 9.044 ( -0.937 5.863 -4.342) 7.355 9.212 ( 2.759 -8.463 -2.588) 9.270 9.332 ( 1.503 -1.975 -7.889) 8.270 9.637 ( 3.864 -4.446 1.589) 6.101 9.823 ( 3.714 -9.078 -5.183) 11.094 10.338 ( -9.904 -0.037 -1.560) 10.027 10.396 ( -10.312 -3.156 -4.255) 11.594 11.052 ( 0.413 7.284 0.060) 7.296 11.115 ( -0.933 9.030 -3.754) 9.824 11.453 ( 1.396 -13.029 -0.374) 13.109 11.551 ( -1.259 -13.184 -6.494) 14.751 13.035 ( 1.538 3.851 -1.799) 4.520 13.049 ( 1.781 5.135 -2.183) 5.857 13.228 ( 2.693 -0.418 0.977) 2.895 13.235 ( 2.505 -1.578 0.561) 3.013 13.544 ( 1.880 -1.306 5.335) 5.806 13.587 ( -1.553 -1.283 2.924) 3.550 13.646 ( -2.126 -2.991 6.707) 7.645 13.747 ( -1.774 -5.976 1.634) 6.444 14.529 ( 5.513 15.794 5.373) 17.570 14.766 ( 0.980 8.702 -5.552) 10.368 15.165 ( -1.961 -3.262 0.652) 3.861 15.218 ( -1.772 -2.342 -1.305) 3.214 15.467 ( 0.094 1.221 0.428) 1.297 15.478 ( 0.867 0.216 -1.008) 1.347 15.674 ( -1.901 -3.579 1.256) 4.243 15.718 ( -2.896 -4.751 -0.926) 5.641 17.331 ( -0.178 7.588 -2.994) 8.159 17.337 ( -0.399 5.661 -3.084) 6.459 17.679 ( 1.131 -11.117 1.708) 11.304 17.746 ( -0.538 -10.443 -1.859) 10.620 24.223 ( 1.475 8.592 3.806) 9.512 24.332 ( -1.207 6.314 -1.317) 6.562 24.503 ( 1.195 0.470 1.319) 1.841 24.592 ( -0.956 -0.057 -2.907) 3.061 24.745 ( 2.055 5.298 -0.560) 5.710 24.799 ( 0.704 1.516 -1.728) 2.404 24.945 ( -1.253 5.105 -0.000) 5.257 24.988 ( -1.943 4.335 -2.531) 5.382 26.599 ( 7.139 2.100 3.575) 8.256 26.727 ( 9.020 -2.735 -2.701) 9.805 27.289 ( -8.801 2.069 4.324) 10.022 27.557 ( -10.715 -9.303 -8.264) 16.421 29.352 ( 4.091 2.040 6.395) 7.861 29.421 ( 4.824 0.457 3.077) 5.740 29.731 ( -1.191 -3.048 7.898) 8.549 29.899 ( -3.248 -9.592 0.012) 10.127 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 6.659 3.548 4.350) 8.709 3.078 ( 7.164 -0.166 -0.702) 7.200 3.111 ( -6.247 3.704 4.359) 8.470 3.239 ( -7.458 -0.889 -1.889) 7.745 3.462 ( 0.500 2.340 4.570) 5.159 3.536 ( -6.374 1.341 7.453) 9.898 3.664 ( 0.040 -4.443 -2.227) 4.970 3.767 ( -10.264 -5.295 -0.877) 11.582 4.706 ( 8.663 10.733 5.744) 14.941 4.779 ( 5.317 11.210 3.628) 12.926 4.887 ( 3.078 7.403 2.534) 8.408 4.990 ( -2.545 9.334 -2.721) 10.050 5.101 ( 0.040 6.151 2.115) 6.505 5.129 ( -2.791 3.990 -1.217) 5.019 5.275 ( 2.483 3.946 -4.030) 6.163 5.302 ( -0.312 3.101 -5.887) 6.662 5.986 ( 8.362 -0.450 -1.455) 8.500 6.036 ( 5.423 -1.756 -3.604) 6.744 6.195 ( -1.532 -3.371 2.028) 4.222 6.251 ( -4.633 -3.955 -0.676) 6.129 6.823 ( 1.130 13.204 3.013) 13.591 6.867 ( -3.331 15.118 2.342) 15.656 6.920 ( 2.443 4.129 13.863) 14.669 6.972 ( -2.270 3.941 14.028) 14.747 7.142 ( 0.131 6.094 13.053) 14.406 7.167 ( -2.623 3.252 13.990) 14.601 7.505 ( 3.643 9.623 -6.533) 12.188 7.587 ( -0.941 2.505 -5.994) 6.565 7.604 ( -1.317 2.239 -6.970) 7.438 7.613 ( -3.932 -2.393 -6.066) 7.615 7.868 ( 0.411 -5.824 -3.953) 7.051 7.908 ( -3.437 -1.845 -4.775) 6.165 8.237 ( 2.541 2.911 -7.107) 8.089 8.248 ( 1.405 3.826 -7.544) 8.575 8.702 ( 5.064 -15.480 1.129) 16.326 8.786 ( -3.239 -14.555 -0.160) 14.912 9.006 ( 0.600 2.953 -4.408) 5.340 9.022 ( -1.163 5.786 -3.583) 6.904 9.280 ( 3.947 -10.285 -6.126) 12.605 9.338 ( -1.523 -9.503 -8.636) 12.931 9.792 ( 12.453 -0.007 -0.506) 12.464 9.938 ( 7.696 -6.119 -6.205) 11.626 10.089 ( -14.350 -0.326 -0.037) 14.354 10.164 ( -12.621 -3.964 -3.599) 13.710 11.067 ( 1.119 8.053 -1.505) 8.268 11.092 ( -1.385 8.673 -2.936) 9.260 11.485 ( 1.838 -13.110 -2.844) 13.540 11.520 ( -1.830 -13.131 -5.076) 14.196 13.069 ( 1.509 5.347 -1.266) 5.698 13.078 ( 0.756 6.203 -1.481) 6.422 13.273 ( 1.677 0.514 0.784) 1.921 13.280 ( 1.362 -2.448 0.324) 2.821 13.549 ( 0.331 -0.009 5.800) 5.810 13.588 ( -2.993 -1.549 6.085) 6.956 13.624 ( 3.769 -5.212 3.076) 7.130 13.698 ( -3.407 -5.813 1.688) 6.946 14.657 ( 7.060 14.251 1.706) 15.995 14.759 ( -2.744 12.545 -3.194) 13.233 15.135 ( -0.155 -5.896 1.237) 6.026 15.169 ( -2.990 -4.690 -0.393) 5.576 15.485 ( 1.569 1.667 0.562) 2.357 15.498 ( 0.667 1.033 -0.548) 1.347 15.637 ( -1.203 -4.059 0.300) 4.244 15.655 ( -2.930 -4.602 -0.464) 5.476 17.328 ( -0.072 7.279 -2.698) 7.763 17.330 ( -0.269 7.444 -2.819) 7.964 17.705 ( 1.466 -11.261 0.250) 11.359 17.730 ( -1.119 -10.937 -1.063) 11.045 24.259 ( 2.204 8.220 2.423) 8.848 24.301 ( -2.026 7.358 0.453) 7.646 24.532 ( 1.800 0.520 0.112) 1.877 24.566 ( -1.690 0.172 -1.441) 2.227 24.791 ( 2.269 5.324 -0.841) 5.848 24.811 ( 0.202 3.427 -1.075) 3.597 24.924 ( -0.423 3.337 -0.225) 3.371 24.944 ( -2.268 3.348 -1.484) 4.308 26.785 ( 11.653 3.114 3.264) 12.496 26.927 ( 6.594 0.233 -2.780) 7.160 27.106 ( -4.884 -2.930 1.669) 5.935 27.299 ( -15.209 -8.184 -6.629) 18.499 29.442 ( 4.654 3.554 6.150) 8.492 29.491 ( 0.747 3.705 4.145) 5.610 29.731 ( 2.346 -8.045 5.101) 9.810 29.815 ( -5.239 -9.659 1.463) 11.085 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 0.000 -1.439 3.806) 4.069 2.982 ( 0.000 1.439 3.806) 4.069 3.291 ( 0.000 -4.097 3.906) 5.660 3.291 ( 0.000 4.097 3.906) 5.660 3.488 ( 0.000 -0.504 3.480) 3.516 3.488 ( 0.000 0.504 3.480) 3.516 4.112 ( 0.000 -7.920 0.586) 7.942 4.112 ( 0.000 7.920 0.586) 7.942 4.488 ( 0.000 -0.871 0.676) 1.103 4.488 ( 0.000 0.871 0.676) 1.103 5.019 ( 0.000 -6.280 4.474) 7.711 5.019 ( 0.000 6.280 4.474) 7.711 5.237 ( 0.000 -8.839 -5.168) 10.239 5.237 ( 0.000 8.839 -5.168) 10.239 5.284 ( 0.000 -1.462 -4.700) 4.922 5.284 ( 0.000 1.462 -4.700) 4.922 5.681 ( 0.000 -2.950 -2.682) 3.987 5.681 ( 0.000 2.950 -2.682) 3.987 6.249 ( 0.000 -1.240 -0.434) 1.313 6.249 ( 0.000 1.240 -0.434) 1.313 6.954 ( 0.000 -2.296 16.712) 16.869 6.954 ( 0.000 2.296 16.712) 16.869 7.107 ( 0.000 -1.207 14.447) 14.497 7.107 ( 0.000 1.207 14.447) 14.497 7.337 ( 0.000 -10.635 9.767) 14.440 7.337 ( 0.000 10.635 9.767) 14.440 7.553 ( 0.000 -18.962 -4.443) 19.475 7.553 ( 0.000 18.962 -4.443) 19.475 7.652 ( 0.000 -3.681 -8.136) 8.930 7.652 ( 0.000 3.681 -8.136) 8.930 7.844 ( 0.000 -11.982 -10.806) 16.135 7.844 ( 0.000 11.982 -10.806) 16.135 8.268 ( 0.000 -4.832 -7.793) 9.170 8.268 ( 0.000 4.832 -7.793) 9.170 8.544 ( 0.000 -10.824 -7.057) 12.922 8.544 ( 0.000 10.824 -7.057) 12.922 8.988 ( 0.000 -4.554 -3.181) 5.555 8.988 ( 0.000 4.554 -3.181) 5.555 9.273 ( 0.000 -7.462 -5.748) 9.419 9.273 ( 0.000 7.462 -5.748) 9.419 9.594 ( 0.000 -7.067 -0.040) 7.067 9.594 ( 0.000 7.067 -0.040) 7.067 10.454 ( 0.000 -1.625 -2.231) 2.760 10.454 ( 0.000 1.625 -2.231) 2.760 11.205 ( 0.000 -7.977 0.366) 7.986 11.205 ( 0.000 7.977 0.366) 7.986 11.331 ( 0.000 -9.174 -5.983) 10.953 11.331 ( 0.000 9.174 -5.983) 10.953 13.077 ( 0.000 -0.814 -2.350) 2.487 13.077 ( 0.000 0.814 -2.350) 2.487 13.182 ( 0.000 -1.493 0.828) 1.707 13.182 ( 0.000 1.493 0.828) 1.707 13.560 ( 0.000 -3.125 4.344) 5.352 13.560 ( 0.000 3.125 4.344) 5.352 13.656 ( 0.000 -2.541 4.445) 5.120 13.656 ( 0.000 2.541 4.445) 5.120 14.749 ( 0.000 -8.222 2.330) 8.546 14.749 ( 0.000 8.222 2.330) 8.546 15.185 ( 0.000 -2.337 -2.732) 3.595 15.185 ( 0.000 2.337 -2.732) 3.595 15.480 ( 0.000 -0.440 0.062) 0.445 15.480 ( 0.000 0.440 0.062) 0.445 15.670 ( 0.000 -1.799 -0.091) 1.801 15.670 ( 0.000 1.799 -0.091) 1.801 17.436 ( 0.000 -3.005 -1.181) 3.229 17.436 ( 0.000 3.005 -1.181) 3.229 17.565 ( 0.000 -5.621 -2.022) 5.974 17.565 ( 0.000 5.621 -2.022) 5.974 24.387 ( 0.000 -8.063 3.340) 8.727 24.387 ( 0.000 8.063 3.340) 8.727 24.483 ( 0.000 -7.196 -0.938) 7.257 24.483 ( 0.000 7.196 -0.938) 7.257 24.820 ( 0.000 -0.814 -2.045) 2.201 24.820 ( 0.000 0.814 -2.045) 2.201 25.043 ( 0.000 -1.513 -2.925) 3.294 25.043 ( 0.000 1.513 -2.925) 3.294 26.580 ( 0.000 -2.919 1.125) 3.129 26.580 ( 0.000 2.919 1.125) 3.129 27.482 ( 0.000 -7.356 -2.312) 7.711 27.482 ( 0.000 7.356 -2.312) 7.711 29.345 ( 0.000 -1.738 5.133) 5.419 29.345 ( 0.000 1.738 5.133) 5.419 29.778 ( 0.000 -4.796 4.195) 6.371 29.778 ( 0.000 4.796 4.195) 6.371 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 0.462 -2.668 2.308) 3.557 2.975 ( 0.462 2.668 2.308) 3.557 3.274 ( -2.121 -4.003 2.596) 5.221 3.274 ( -2.121 4.003 2.596) 5.221 3.490 ( 0.486 -2.046 3.492) 4.076 3.490 ( 0.486 2.046 3.492) 4.076 3.931 ( -15.485 -6.184 1.389) 16.732 3.931 ( -15.485 6.184 1.389) 16.732 4.620 ( 11.683 -1.894 1.113) 11.888 4.620 ( 11.683 1.894 1.113) 11.888 5.057 ( 1.961 -6.791 4.585) 8.425 5.057 ( 1.961 6.791 4.585) 8.425 5.230 ( -0.431 -7.991 -5.129) 9.505 5.230 ( -0.431 7.991 -5.129) 9.505 5.280 ( -0.297 -3.893 -3.743) 5.409 5.280 ( -0.297 3.893 -3.743) 5.409 5.786 ( 9.851 -2.234 -2.504) 10.406 5.786 ( 9.851 2.234 -2.504) 10.406 6.240 ( -1.225 -1.770 -0.242) 2.166 6.240 ( -1.225 1.770 -0.242) 2.166 6.949 ( -0.525 -1.726 15.948) 16.049 6.949 ( -0.525 1.726 15.948) 16.049 7.065 ( -3.486 -1.787 14.477) 14.997 7.065 ( -3.486 1.787 14.477) 14.997 7.358 ( 1.317 -10.138 8.203) 13.107 7.358 ( 1.317 10.138 8.203) 13.107 7.499 ( -4.127 -14.913 -3.233) 15.807 7.499 ( -4.127 14.913 -3.233) 15.807 7.683 ( 2.086 -7.518 -8.607) 11.617 7.683 ( 2.086 7.518 -8.607) 11.617 7.831 ( -1.419 -10.619 -10.191) 14.786 7.831 ( -1.419 10.619 -10.191) 14.786 8.298 ( 3.171 -6.600 -6.285) 9.650 8.298 ( 3.171 6.600 -6.285) 9.650 8.529 ( -1.762 -11.106 -6.242) 12.861 8.529 ( -1.762 11.106 -6.242) 12.861 9.013 ( 2.671 -4.125 -4.503) 6.665 9.013 ( 2.671 4.125 -4.503) 6.665 9.247 ( -2.668 -6.490 -6.175) 9.346 9.247 ( -2.668 6.490 -6.175) 9.346 9.654 ( 6.355 -5.976 -0.070) 8.723 9.654 ( 6.355 5.976 -0.070) 8.723 10.351 ( -10.252 -1.332 -1.893) 10.510 10.351 ( -10.252 1.332 -1.893) 10.510 11.217 ( 1.246 -8.345 -0.692) 8.466 11.217 ( 1.246 8.345 -0.692) 8.466 11.317 ( -1.307 -9.145 -5.597) 10.801 11.317 ( -1.307 9.145 -5.597) 10.801 13.109 ( 3.168 -1.805 -1.752) 4.045 13.109 ( 3.168 1.805 -1.752) 4.045 13.205 ( 1.867 -2.311 0.351) 2.991 13.205 ( 1.867 2.311 0.351) 2.991 13.554 ( -0.414 -2.012 4.376) 4.834 13.554 ( -0.414 2.012 4.376) 4.834 13.640 ( -1.634 -2.937 4.439) 5.568 13.640 ( -1.634 2.937 4.439) 5.568 14.791 ( 4.261 -7.614 1.892) 8.928 14.791 ( 4.261 7.614 1.892) 8.928 15.152 ( -3.722 -2.893 -2.220) 5.211 15.152 ( -3.722 2.893 -2.220) 5.211 15.484 ( 0.767 -0.089 -0.006) 0.773 15.484 ( 0.767 0.089 -0.006) 0.773 15.646 ( -2.424 -1.404 0.036) 2.801 15.646 ( -2.424 1.404 0.036) 2.801 17.450 ( 1.408 -3.635 -1.268) 4.099 17.450 ( 1.408 3.635 -1.268) 4.099 17.553 ( -1.138 -5.609 -1.958) 6.049 17.553 ( -1.138 5.609 -1.958) 6.049 24.400 ( 1.261 -7.992 2.905) 8.597 24.400 ( 1.261 7.992 2.905) 8.597 24.476 ( -0.655 -7.281 -0.571) 7.333 24.476 ( -0.655 7.281 -0.571) 7.333 24.838 ( 1.895 -0.484 -1.839) 2.685 24.838 ( 1.895 0.484 -1.839) 2.685 25.018 ( -2.424 -1.466 -2.422) 3.727 25.018 ( -2.424 1.466 -2.422) 3.727 26.660 ( 8.148 -3.482 0.455) 8.873 26.660 ( 8.148 3.482 0.455) 8.873 27.384 ( -9.777 -6.947 -2.157) 12.186 27.384 ( -9.777 6.947 -2.157) 12.186 29.401 ( 5.440 -2.262 4.948) 7.694 29.401 ( 5.440 2.262 4.948) 7.694 29.746 ( -3.310 -4.621 4.232) 7.087 29.746 ( -3.310 4.621 4.232) 7.087 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 6.717 -3.187 -0.384) 7.445 3.041 ( 6.717 3.187 -0.384) 7.445 3.190 ( -7.069 -3.606 -0.383) 7.945 3.190 ( -7.069 3.606 -0.383) 7.945 3.521 ( 3.268 -3.265 4.024) 6.126 3.521 ( 3.268 3.265 4.024) 6.126 3.651 ( -11.413 -4.540 3.426) 12.752 3.651 ( -11.413 4.540 3.426) 12.752 4.858 ( 11.843 -3.551 2.404) 12.595 4.858 ( 11.843 3.551 2.404) 12.595 5.029 ( -5.453 -5.936 3.405) 8.750 5.029 ( -5.453 5.936 3.405) 8.750 5.238 ( 1.317 -7.283 -4.137) 8.478 5.238 ( 1.317 7.283 -4.137) 8.478 5.267 ( -1.287 -6.130 -3.181) 7.025 5.267 ( -1.287 6.130 -3.181) 7.025 6.003 ( 11.564 -1.675 -1.199) 11.746 6.003 ( 11.564 1.675 -1.199) 11.746 6.178 ( -6.096 -2.162 -0.087) 6.468 6.178 ( -6.096 2.162 -0.087) 6.468 6.948 ( 1.130 -1.677 14.490) 14.630 6.948 ( 1.130 1.677 14.490) 14.630 6.997 ( -3.485 -2.018 14.191) 14.751 6.997 ( -3.485 2.018 14.191) 14.751 7.379 ( 1.385 -9.781 4.143) 10.712 7.379 ( 1.385 9.781 4.143) 10.712 7.425 ( -3.395 -11.001 0.469) 11.522 7.425 ( -3.395 11.001 0.469) 11.522 7.728 ( 2.938 -7.898 -9.042) 12.360 7.728 ( 2.938 7.898 -9.042) 12.360 7.789 ( -3.009 -8.713 -9.337) 13.121 7.789 ( -3.009 8.713 -9.337) 13.121 8.381 ( 5.117 -8.414 -4.220) 10.714 8.381 ( 5.117 8.414 -4.220) 10.714 8.473 ( -4.117 -10.214 -4.516) 11.902 8.473 ( -4.117 10.214 -4.516) 11.902 9.086 ( 4.654 -3.809 -6.493) 8.850 9.086 ( 4.654 3.809 -6.493) 8.850 9.176 ( -4.530 -4.794 -6.824) 9.490 9.176 ( -4.530 4.794 -6.824) 9.490 9.835 ( 12.446 -3.783 -0.573) 13.021 9.835 ( 12.446 3.783 -0.573) 13.021 10.103 ( -14.685 -1.880 -1.304) 14.862 10.103 ( -14.685 1.880 -1.304) 14.862 11.248 ( 1.871 -8.823 -2.708) 9.417 11.248 ( 1.871 8.823 -2.708) 9.417 11.285 ( -1.954 -9.051 -4.468) 10.281 11.285 ( -1.954 9.051 -4.468) 10.281 13.180 ( 3.614 -2.771 -0.901) 4.642 13.180 ( 3.614 2.771 -0.901) 4.642 13.224 ( -0.562 -2.938 -0.365) 3.013 13.224 ( -0.562 2.938 -0.365) 3.013 13.558 ( 1.249 -1.593 4.463) 4.901 13.558 ( 1.249 1.593 4.463) 4.901 13.598 ( -2.523 -3.069 4.447) 5.963 13.598 ( -2.523 3.069 4.447) 5.963 14.903 ( 7.175 -6.172 0.676) 9.489 14.903 ( 7.175 6.172 0.676) 9.489 15.045 ( -7.131 -4.438 -0.893) 8.446 15.045 ( -7.131 4.438 -0.893) 8.446 15.520 ( 2.928 -0.435 -0.004) 2.960 15.520 ( 2.928 0.435 -0.004) 2.960 15.586 ( -3.644 -0.712 0.115) 3.715 15.586 ( -3.644 0.712 0.115) 3.715 17.485 ( 2.065 -4.711 -1.496) 5.357 17.485 ( 2.065 4.711 -1.496) 5.357 17.524 ( -1.907 -5.399 -1.766) 5.992 17.524 ( -1.907 5.399 -1.766) 5.992 24.429 ( 1.656 -7.777 1.761) 8.144 24.429 ( 1.656 7.777 1.761) 8.144 24.458 ( -1.290 -7.499 0.426) 7.621 24.458 ( -1.290 7.499 0.426) 7.621 24.889 ( 3.341 -0.400 -1.492) 3.681 24.889 ( 3.341 0.400 -1.492) 3.681 24.958 ( -3.646 -1.128 -1.642) 4.155 24.958 ( -3.646 1.128 -1.642) 4.155 26.872 ( 13.472 -4.704 -0.805) 14.292 26.872 ( 13.472 4.704 -0.805) 14.292 27.144 ( -14.378 -5.965 -1.708) 15.660 27.144 ( -14.378 5.965 -1.708) 15.660 29.527 ( 7.206 -3.243 4.614) 9.151 29.527 ( 7.206 3.243 4.614) 9.151 29.656 ( -6.006 -4.093 4.362) 8.476 29.656 ( -6.006 4.093 4.362) 8.476 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 0.000 0.000 -17.919) 17.919 2.942 ( 0.000 0.000 17.919) 17.919 3.095 ( 0.000 0.000 -16.374) 16.374 3.095 ( 0.000 0.000 16.374) 16.374 3.572 ( 0.000 0.000 -12.989) 12.989 3.572 ( 0.000 0.000 12.989) 12.989 3.774 ( 0.000 0.000 -8.468) 8.468 3.774 ( 0.000 0.000 8.468) 8.468 4.000 ( 0.000 0.000 -6.402) 6.402 4.000 ( 0.000 0.000 6.403) 6.403 4.505 ( 0.000 0.000 -0.868) 0.868 4.505 ( 0.000 0.000 0.868) 0.868 4.909 ( 0.000 0.000 -4.276) 4.276 4.909 ( 0.000 0.000 4.276) 4.276 4.940 ( 0.000 0.000 -0.376) 0.376 4.940 ( 0.000 0.000 0.376) 0.376 5.861 ( 0.000 0.000 -0.347) 0.347 5.861 ( 0.000 0.000 0.347) 0.347 6.086 ( 0.000 0.000 -2.361) 2.361 6.086 ( 0.000 0.000 2.361) 2.361 6.567 ( 0.000 0.000 -0.058) 0.058 6.567 ( 0.000 0.000 0.058) 0.058 6.634 ( 0.000 0.000 -6.297) 6.297 6.634 ( 0.000 0.000 6.297) 6.297 6.987 ( 0.000 0.000 -3.839) 3.839 6.987 ( 0.000 0.000 3.839) 3.839 7.561 ( 0.000 0.000 -7.188) 7.188 7.561 ( 0.000 0.000 7.188) 7.188 7.741 ( 0.000 0.000 -8.574) 8.574 7.741 ( 0.000 0.000 8.574) 8.574 7.855 ( 0.000 0.000 -2.629) 2.629 7.855 ( 0.000 0.000 2.629) 2.629 8.237 ( 0.000 0.000 -12.366) 12.366 8.237 ( 0.000 0.000 12.366) 12.366 8.622 ( 0.000 0.000 -0.156) 0.156 8.622 ( 0.000 0.000 0.156) 0.156 9.188 ( 0.000 0.000 -13.675) 13.675 9.188 ( 0.000 0.000 13.675) 13.675 9.771 ( 0.000 0.000 -0.754) 0.754 9.771 ( 0.000 0.000 0.754) 0.754 9.847 ( 0.000 0.000 -10.006) 10.006 9.847 ( 0.000 0.000 10.006) 10.006 10.502 ( 0.000 0.000 -4.754) 4.754 10.502 ( 0.000 0.000 4.755) 4.755 10.727 ( 0.000 0.000 -2.510) 2.510 10.727 ( 0.000 0.000 2.510) 2.510 12.447 ( 0.000 0.000 -7.999) 7.999 12.447 ( 0.000 0.000 7.999) 7.999 12.639 ( 0.000 0.000 -8.478) 8.478 12.639 ( 0.000 0.000 8.478) 8.478 13.330 ( 0.000 0.000 -9.126) 9.126 13.330 ( 0.000 0.000 9.126) 9.126 13.609 ( 0.000 0.000 -10.592) 10.592 13.609 ( 0.000 0.000 10.592) 10.592 13.662 ( 0.000 0.000 -4.050) 4.050 13.662 ( 0.000 0.000 4.050) 4.050 14.138 ( 0.000 0.000 -10.303) 10.303 14.138 ( 0.000 0.000 10.303) 10.303 15.262 ( 0.000 0.000 -1.362) 1.362 15.262 ( 0.000 0.000 1.362) 1.362 15.441 ( 0.000 0.000 -1.495) 1.495 15.441 ( 0.000 0.000 1.495) 1.495 15.928 ( 0.000 0.000 -1.126) 1.126 15.928 ( 0.000 0.000 1.126) 1.126 17.066 ( 0.000 0.000 -4.508) 4.508 17.066 ( 0.000 0.000 4.508) 4.508 18.300 ( 0.000 0.000 -4.998) 4.998 18.300 ( 0.000 0.000 4.998) 4.998 23.825 ( 0.000 0.000 -7.368) 7.368 23.825 ( 0.000 0.000 7.368) 7.368 24.103 ( 0.000 0.000 -7.854) 7.854 24.103 ( 0.000 0.000 7.854) 7.854 24.607 ( 0.000 0.000 -0.027) 0.027 24.607 ( 0.000 0.000 0.027) 0.027 24.950 ( 0.000 0.000 -0.624) 0.624 24.950 ( 0.000 0.000 0.624) 0.624 26.633 ( 0.000 0.000 -4.597) 4.597 26.633 ( 0.000 0.000 4.597) 4.597 27.703 ( 0.000 0.000 -16.197) 16.197 27.703 ( 0.000 0.000 16.197) 16.197 29.381 ( 0.000 0.000 -1.021) 1.021 29.381 ( 0.000 0.000 1.022) 1.022 30.188 ( 0.000 0.000 -11.835) 11.835 30.188 ( 0.000 0.000 11.835) 11.835 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 3.320 0.000 -16.007) 16.348 2.976 ( 3.320 0.000 16.007) 16.348 3.104 ( 1.458 0.000 -13.470) 13.549 3.104 ( 1.458 0.000 13.470) 13.549 3.532 ( -3.821 0.000 -12.005) 12.598 3.532 ( -3.821 0.000 12.005) 12.598 3.561 ( -13.625 0.000 -6.101) 14.929 3.561 ( -13.625 0.000 6.101) 14.929 4.230 ( 14.722 0.000 -4.644) 15.438 4.230 ( 14.722 0.000 4.644) 15.438 4.504 ( -0.034 0.000 -0.832) 0.833 4.504 ( -0.034 0.000 0.832) 0.833 4.874 ( -3.300 0.000 -5.071) 6.051 4.874 ( -3.300 0.000 5.071) 6.051 4.970 ( 2.759 0.000 -0.882) 2.896 4.970 ( 2.759 0.000 0.882) 2.896 5.851 ( -0.978 0.000 -0.192) 0.997 5.851 ( -0.978 0.000 0.192) 0.997 6.077 ( -0.781 0.000 -1.991) 2.139 6.077 ( -0.781 0.000 1.991) 2.139 6.561 ( -0.478 0.000 -0.303) 0.566 6.561 ( -0.478 0.000 0.303) 0.566 6.657 ( 2.161 0.000 -5.096) 5.535 6.657 ( 2.161 0.000 5.096) 5.535 6.990 ( 0.287 0.000 -3.109) 3.122 6.990 ( 0.287 0.000 3.109) 3.122 7.541 ( -1.538 0.000 -5.878) 6.076 7.541 ( -1.538 0.000 5.878) 6.076 7.689 ( -4.896 0.000 -5.245) 7.175 7.689 ( -4.896 0.000 5.245) 7.175 7.898 ( 4.265 0.000 -10.302) 11.150 7.898 ( 4.265 0.000 10.302) 11.150 8.234 ( -0.982 0.000 -11.610) 11.652 8.234 ( -0.982 0.000 11.610) 11.652 8.626 ( 0.385 0.000 -0.141) 0.410 8.626 ( 0.385 0.000 0.141) 0.410 9.271 ( 8.102 0.000 -13.581) 15.814 9.271 ( 8.102 0.000 13.581) 15.814 9.769 ( -0.214 0.000 -0.608) 0.644 9.769 ( -0.214 0.000 0.608) 0.644 9.863 ( 1.828 0.000 -13.072) 13.199 9.863 ( 1.828 0.000 13.072) 13.199 10.413 ( -8.911 0.000 -5.664) 10.559 10.413 ( -8.911 0.000 5.664) 10.559 10.731 ( 0.311 0.000 -2.042) 2.066 10.731 ( 0.311 0.000 2.042) 2.066 12.412 ( -2.989 0.000 -5.990) 6.695 12.412 ( -2.989 0.000 5.990) 6.695 12.640 ( 0.092 0.000 -6.967) 6.968 12.640 ( 0.092 0.000 6.967) 6.968 13.309 ( -1.801 0.000 -6.660) 6.899 13.309 ( -1.801 0.000 6.660) 6.899 13.626 ( 1.410 0.000 -7.703) 7.831 13.626 ( 1.410 0.000 7.703) 7.831 13.745 ( 7.640 0.000 -6.079) 9.764 13.745 ( 7.640 0.000 6.079) 9.764 14.125 ( -1.420 0.000 -10.046) 10.146 14.125 ( -1.420 0.000 10.046) 10.146 15.263 ( 0.054 0.000 -1.101) 1.102 15.263 ( 0.054 0.000 1.101) 1.102 15.453 ( 1.186 0.000 -1.501) 1.913 15.453 ( 1.186 0.000 1.501) 1.913 15.892 ( -3.440 0.000 -1.231) 3.654 15.892 ( -3.440 0.000 1.231) 3.654 17.063 ( -0.253 0.000 -3.713) 3.721 17.063 ( -0.253 0.000 3.713) 3.721 18.290 ( -0.857 0.000 -3.994) 4.085 18.290 ( -0.857 0.000 3.994) 4.085 23.825 ( -0.000 0.000 -5.963) 5.963 23.825 ( -0.000 0.000 5.963) 5.963 24.103 ( -0.008 0.000 -6.356) 6.356 24.103 ( -0.008 0.000 6.356) 6.356 24.605 ( -0.208 0.000 -0.214) 0.298 24.605 ( -0.208 0.000 0.214) 0.298 24.954 ( 0.379 0.000 -0.560) 0.676 24.954 ( 0.379 0.000 0.560) 0.676 26.715 ( 8.180 0.000 -5.639) 9.936 26.715 ( 8.180 0.000 5.639) 9.936 27.600 ( -10.034 0.000 -14.726) 17.820 27.600 ( -10.034 0.000 14.726) 17.820 29.409 ( 2.498 0.000 -1.706) 3.025 29.409 ( 2.498 0.000 1.706) 3.025 30.186 ( -0.134 0.000 -9.751) 9.752 30.186 ( -0.134 0.000 9.751) 9.752 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 2.733 0.000 -7.843) 8.305 3.043 ( 2.733 0.000 7.843) 8.305 3.167 ( 5.230 0.000 -8.201) 9.727 3.167 ( 5.230 0.000 8.201) 9.727 3.333 ( -9.778 0.000 -6.358) 11.663 3.333 ( -9.778 0.000 6.358) 11.663 3.456 ( -3.009 0.000 -6.308) 6.989 3.456 ( -3.009 0.000 6.308) 6.989 4.447 ( 6.701 0.000 -3.611) 7.612 4.447 ( 6.701 0.000 3.611) 7.612 4.504 ( -0.003 0.000 -0.380) 0.380 4.504 ( -0.003 0.000 0.380) 0.380 4.810 ( -2.525 0.000 -3.878) 4.628 4.810 ( -2.525 0.000 3.878) 4.628 5.020 ( 1.756 0.000 -0.556) 1.842 5.020 ( 1.756 0.000 0.556) 1.842 5.831 ( -0.780 0.000 -0.175) 0.800 5.831 ( -0.780 0.000 0.175) 0.800 6.064 ( -0.414 0.000 -0.786) 0.889 6.064 ( -0.414 0.000 0.786) 0.889 6.553 ( -0.279 0.000 -0.183) 0.334 6.553 ( -0.279 0.000 0.183) 0.334 6.698 ( 1.527 0.000 -1.998) 2.515 6.698 ( 1.527 0.000 1.999) 2.515 6.995 ( 0.165 0.000 -1.189) 1.201 6.995 ( 0.165 0.000 1.189) 1.201 7.529 ( 0.938 0.000 -3.911) 4.022 7.529 ( 0.938 0.000 3.911) 4.022 7.588 ( -4.835 0.000 -2.868) 5.622 7.588 ( -4.835 0.000 2.868) 5.622 7.993 ( 4.414 0.000 -7.821) 8.980 7.993 ( 4.414 0.000 7.821) 8.980 8.190 ( -2.882 0.000 -7.802) 8.317 8.190 ( -2.882 0.000 7.802) 8.317 8.633 ( 0.238 0.000 -0.062) 0.246 8.633 ( 0.238 0.000 0.062) 0.246 9.434 ( 6.334 0.000 -8.485) 10.589 9.434 ( 6.334 0.000 8.485) 10.589 9.765 ( -0.133 0.000 -0.231) 0.266 9.765 ( -0.133 0.000 0.231) 0.266 9.932 ( 5.604 0.000 -14.447) 15.496 9.932 ( 5.604 0.000 14.447) 15.496 10.202 ( -11.164 0.000 -8.029) 13.751 10.202 ( -11.164 0.000 8.029) 13.751 10.736 ( 0.192 0.000 -0.788) 0.811 10.736 ( 0.192 0.000 0.788) 0.811 12.364 ( -1.497 0.000 -2.069) 2.554 12.364 ( -1.497 0.000 2.069) 2.554 12.642 ( 0.060 0.000 -2.732) 2.732 12.642 ( 0.060 0.000 2.732) 2.732 13.279 ( -0.981 0.000 -2.284) 2.486 13.279 ( -0.981 0.000 2.284) 2.486 13.649 ( 0.735 0.000 -2.590) 2.692 13.649 ( 0.735 0.000 2.590) 2.692 13.894 ( 6.255 0.000 -6.174) 8.789 13.894 ( 6.255 0.000 6.174) 8.789 14.083 ( -2.657 0.000 -7.257) 7.728 14.083 ( -2.657 0.000 7.257) 7.728 15.264 ( 0.033 0.000 -0.420) 0.422 15.264 ( 0.033 0.000 0.420) 0.422 15.478 ( 1.066 0.000 -0.839) 1.357 15.478 ( 1.066 0.000 0.839) 1.357 15.826 ( -2.524 0.000 -0.712) 2.623 15.826 ( -2.524 0.000 0.712) 2.623 17.059 ( -0.165 0.000 -1.459) 1.468 17.059 ( -0.165 0.000 1.459) 1.468 18.275 ( -0.515 0.000 -1.497) 1.583 18.275 ( -0.515 0.000 1.497) 1.583 23.825 ( -0.000 0.000 -2.279) 2.279 23.825 ( -0.000 0.000 2.279) 2.279 24.103 ( -0.005 0.000 -2.429) 2.429 24.103 ( -0.005 0.000 2.429) 2.429 24.601 ( -0.116 0.000 -0.126) 0.171 24.601 ( -0.116 0.000 0.126) 0.171 24.961 ( 0.216 0.000 -0.240) 0.323 24.961 ( 0.216 0.000 0.240) 0.323 26.905 ( 9.541 0.000 -5.651) 11.089 26.905 ( 9.541 0.000 5.651) 11.089 27.379 ( -10.560 0.000 -8.975) 13.859 27.379 ( -10.560 0.000 8.975) 13.859 29.452 ( 1.427 0.000 -0.994) 1.739 29.452 ( 1.427 0.000 0.994) 1.739 30.184 ( -0.092 0.000 -3.841) 3.842 30.184 ( -0.092 0.000 3.841) 3.842 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 0.000 2.926 -6.109) 6.773 2.997 ( 0.000 2.926 6.109) 6.773 3.167 ( 0.000 7.840 -4.653) 9.117 3.167 ( 0.000 7.840 4.653) 9.117 3.509 ( 0.000 -4.485 -10.371) 11.300 3.509 ( 0.000 -4.485 10.372) 11.300 3.915 ( 0.000 9.574 -9.433) 13.441 3.915 ( 0.000 9.574 9.433) 13.441 4.040 ( 0.000 5.864 -5.104) 7.774 4.040 ( 0.000 5.864 5.104) 7.774 4.621 ( 0.000 10.304 -1.966) 10.490 4.621 ( 0.000 10.304 1.966) 10.490 4.883 ( 0.000 -1.708 -2.862) 3.333 4.883 ( 0.000 -1.708 2.862) 3.333 4.942 ( 0.000 0.381 -0.064) 0.386 4.942 ( 0.000 0.381 0.064) 0.386 6.009 ( 0.000 13.385 -0.690) 13.402 6.009 ( 0.000 13.385 0.690) 13.402 6.057 ( 0.000 -2.637 -2.450) 3.599 6.057 ( 0.000 -2.637 2.450) 3.599 6.443 ( 0.000 -6.118 -2.405) 6.573 6.443 ( 0.000 -6.118 2.405) 6.573 6.787 ( 0.000 8.960 -0.896) 9.005 6.787 ( 0.000 8.960 0.896) 9.005 7.047 ( 0.000 5.706 -0.504) 5.728 7.047 ( 0.000 5.706 0.504) 5.728 7.540 ( 0.000 -1.984 -7.722) 7.973 7.540 ( 0.000 -1.984 7.722) 7.973 7.755 ( 0.000 1.431 -8.417) 8.538 7.755 ( 0.000 1.431 8.417) 8.538 7.829 ( 0.000 -2.128 -3.744) 4.307 7.829 ( 0.000 -2.128 3.744) 4.307 8.182 ( 0.000 -4.478 -10.802) 11.693 8.182 ( 0.000 -4.478 10.802) 11.693 8.702 ( 0.000 6.451 -0.089) 6.451 8.702 ( 0.000 6.451 0.089) 6.451 9.141 ( 0.000 -4.655 -13.442) 14.225 9.141 ( 0.000 -4.655 13.442) 14.225 9.616 ( 0.000 -11.179 -3.837) 11.819 9.616 ( 0.000 -11.179 3.837) 11.819 9.878 ( 0.000 -0.392 -6.953) 6.964 9.878 ( 0.000 -0.392 6.953) 6.964 10.476 ( 0.000 -1.708 -3.986) 4.337 10.476 ( 0.000 -1.708 3.986) 4.337 10.796 ( 0.000 5.673 -1.889) 5.980 10.796 ( 0.000 5.673 1.889) 5.980 12.173 ( 0.000 -18.171 -2.830) 18.390 12.173 ( 0.000 -18.171 2.830) 18.390 12.793 ( 0.000 7.351 -2.367) 7.723 12.793 ( 0.000 7.351 2.367) 7.723 13.296 ( 0.000 -2.731 -7.042) 7.553 13.296 ( 0.000 -2.731 7.042) 7.553 13.626 ( 0.000 1.144 -2.944) 3.158 13.626 ( 0.000 1.144 2.944) 3.158 13.748 ( 0.000 6.472 -2.657) 6.996 13.748 ( 0.000 6.472 2.657) 6.996 14.160 ( 0.000 3.202 -11.365) 11.807 14.160 ( 0.000 3.202 11.365) 11.807 15.259 ( 0.000 -0.389 -0.708) 0.808 15.259 ( 0.000 -0.389 0.708) 0.808 15.441 ( 0.000 0.099 -0.960) 0.965 15.441 ( 0.000 0.099 0.960) 0.965 15.900 ( 0.000 -2.682 -1.196) 2.937 15.900 ( 0.000 -2.682 1.196) 2.937 17.096 ( 0.000 2.826 -3.937) 4.846 17.096 ( 0.000 2.826 3.937) 4.846 18.198 ( 0.000 -9.166 -3.161) 9.696 18.198 ( 0.000 -9.166 3.161) 9.696 23.965 ( 0.000 12.598 -5.668) 13.814 23.965 ( 0.000 12.598 5.668) 13.814 24.112 ( 0.000 1.378 -6.477) 6.622 24.112 ( 0.000 1.378 6.477) 6.622 24.679 ( 0.000 6.282 -0.712) 6.322 24.679 ( 0.000 6.282 0.712) 6.322 24.919 ( 0.000 -2.892 -0.601) 2.954 24.919 ( 0.000 -2.892 0.601) 2.954 26.624 ( 0.000 -0.761 -4.462) 4.526 26.624 ( 0.000 -0.761 4.462) 4.526 27.672 ( 0.000 -2.949 -15.225) 15.508 27.672 ( 0.000 -2.949 15.225) 15.508 29.379 ( 0.000 -0.120 -1.224) 1.230 29.379 ( 0.000 -0.120 1.224) 1.230 30.136 ( 0.000 -4.755 -10.789) 11.790 30.136 ( 0.000 -4.755 10.789) 11.790 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 1.979 1.484 -4.435) 5.078 3.014 ( 1.979 1.484 4.435) 5.078 3.171 ( 0.596 6.955 -2.759) 7.506 3.171 ( 0.596 6.955 2.759) 7.506 3.449 ( -5.302 -2.640 -7.191) 9.316 3.449 ( -5.302 -2.640 7.191) 9.316 3.738 ( -10.706 10.535 -7.779) 16.915 3.738 ( -10.706 10.535 7.779) 16.915 4.247 ( 12.947 2.962 -3.176) 13.657 4.247 ( 12.947 2.962 3.176) 13.657 4.621 ( -0.454 9.806 -2.332) 10.089 4.621 ( -0.454 9.806 2.332) 10.089 4.870 ( -1.071 0.471 -2.412) 2.681 4.870 ( -1.071 0.471 2.412) 2.681 4.975 ( 3.147 0.760 -1.587) 3.606 4.975 ( 3.147 0.760 1.587) 3.606 5.974 ( -2.511 8.322 -0.669) 8.718 5.974 ( -2.511 8.322 0.669) 8.718 6.083 ( 1.699 3.425 -1.392) 4.068 6.083 ( 1.699 3.425 1.392) 4.068 6.447 ( 0.222 -6.029 -2.383) 6.486 6.447 ( 0.222 -6.029 2.383) 6.486 6.806 ( 1.911 9.052 -0.833) 9.289 6.806 ( 1.911 9.052 0.833) 9.289 7.038 ( -0.922 4.771 -0.789) 4.923 7.038 ( -0.922 4.771 0.789) 4.923 7.522 ( -1.469 -1.913 -6.548) 6.978 7.522 ( -1.469 -1.913 6.548) 6.978 7.679 ( -5.753 -0.818 -2.716) 6.414 7.679 ( -5.753 -0.818 2.717) 6.414 7.892 ( 4.684 -0.206 -9.271) 10.389 7.892 ( 4.684 -0.206 9.271) 10.389 8.183 ( -0.494 -4.158 -10.672) 11.464 8.183 ( -0.494 -4.158 10.672) 11.464 8.707 ( 0.462 6.586 -0.167) 6.604 8.707 ( 0.462 6.586 0.167) 6.604 9.218 ( 7.507 -5.244 -13.370) 16.205 9.218 ( 7.507 -5.244 13.370) 16.205 9.626 ( 1.159 -10.767 -4.357) 11.673 9.626 ( 1.159 -10.767 4.357) 11.673 9.883 ( 0.562 -0.701 -8.836) 8.882 9.883 ( 0.562 -0.701 8.836) 8.882 10.389 ( -8.811 -1.807 -4.757) 10.174 10.389 ( -8.811 -1.807 4.757) 10.174 10.793 ( -0.210 5.319 -1.430) 5.512 10.793 ( -0.210 5.319 1.430) 5.512 12.153 ( -1.733 -17.561 -2.293) 17.795 12.153 ( -1.733 -17.561 2.293) 17.795 12.792 ( -0.030 7.798 -2.500) 8.189 12.792 ( -0.030 7.798 2.500) 8.189 13.296 ( -0.351 -1.288 -6.157) 6.300 13.296 ( -0.351 -1.288 6.157) 6.300 13.626 ( 0.606 0.500 -4.949) 5.011 13.626 ( 0.606 0.500 4.949) 5.011 13.803 ( 4.644 3.496 -2.506) 6.330 13.803 ( 4.644 3.496 2.506) 6.330 14.162 ( 0.186 4.721 -10.163) 11.208 14.162 ( 0.186 4.721 10.163) 11.208 15.259 ( -0.004 -0.439 -0.606) 0.749 15.259 ( -0.004 -0.439 0.606) 0.749 15.452 ( 1.070 -0.037 -1.125) 1.553 15.452 ( 1.070 -0.037 1.125) 1.553 15.865 ( -3.282 -2.528 -1.241) 4.325 15.865 ( -3.282 -2.528 1.241) 4.325 17.092 ( -0.393 2.708 -3.226) 4.230 17.092 ( -0.393 2.708 3.226) 4.230 18.192 ( -0.584 -8.901 -2.525) 9.271 18.192 ( -0.584 -8.901 2.525) 9.271 23.966 ( 0.102 12.736 -4.671) 13.566 23.966 ( 0.102 12.736 4.671) 13.566 24.112 ( 0.020 1.371 -5.305) 5.479 24.112 ( 0.020 1.371 5.305) 5.479 24.676 ( -0.313 6.183 -0.659) 6.226 24.676 ( -0.313 6.183 0.659) 6.226 24.924 ( 0.407 -2.866 -0.538) 2.945 24.924 ( 0.407 -2.866 0.538) 2.945 26.704 ( 8.014 -0.919 -5.438) 9.729 26.704 ( 8.014 -0.919 5.438) 9.729 27.570 ( -9.917 -2.837 -13.871) 17.286 27.570 ( -9.917 -2.837 13.871) 17.286 29.409 ( 2.683 0.071 -1.786) 3.224 29.409 ( 2.683 0.071 1.786) 3.224 30.132 ( -0.351 -4.984 -8.952) 10.252 30.132 ( -0.351 -4.984 8.952) 10.252 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 3.646 0.662 -5.502) 6.634 3.074 ( 3.646 0.662 5.502) 6.634 3.182 ( -0.175 1.332 -4.942) 5.122 3.182 ( -0.175 1.332 4.942) 5.122 3.349 ( -3.931 4.175 -1.378) 5.898 3.349 ( -3.931 4.175 1.378) 5.898 3.575 ( -5.195 8.358 -6.305) 11.687 3.575 ( -5.195 8.358 6.305) 11.687 4.452 ( 7.959 2.133 -3.946) 9.137 4.452 ( 7.959 2.133 3.946) 9.137 4.583 ( -3.653 6.145 -3.387) 7.910 4.583 ( -3.653 6.145 3.387) 7.910 4.864 ( 0.368 5.804 -1.306) 5.960 4.864 ( 0.368 5.804 1.306) 5.960 5.031 ( 1.902 1.168 -1.236) 2.551 5.031 ( 1.902 1.168 1.236) 2.551 5.934 ( -1.285 7.108 -0.556) 7.244 5.934 ( -1.285 7.108 0.556) 7.244 6.107 ( 0.722 6.464 -0.607) 6.532 6.107 ( 0.722 6.464 0.607) 6.532 6.448 ( -0.063 -6.149 -1.124) 6.252 6.448 ( -0.063 -6.149 1.124) 6.252 6.848 ( 1.878 9.963 -0.526) 10.152 6.848 ( 1.878 9.963 0.526) 10.152 7.018 ( -0.938 2.515 -0.692) 2.772 7.018 ( -0.938 2.515 0.692) 2.772 7.510 ( 0.758 -2.085 -4.527) 5.042 7.510 ( 0.758 -2.085 4.527) 5.042 7.573 ( -4.689 -1.008 -2.848) 5.577 7.573 ( -4.689 -1.008 2.848) 5.577 7.979 ( 3.603 -1.167 -6.867) 7.842 7.979 ( 3.603 -1.167 6.867) 7.842 8.154 ( -1.927 -2.646 -7.083) 7.803 8.154 ( -1.927 -2.646 7.083) 7.803 8.714 ( 0.231 6.683 -0.146) 6.689 8.714 ( 0.231 6.683 0.146) 6.689 9.362 ( 5.187 -7.129 -7.679) 11.691 9.362 ( 5.187 -7.129 7.679) 11.691 9.666 ( 2.572 -8.627 -1.817) 9.184 9.666 ( 2.572 -8.627 1.817) 9.184 9.912 ( 2.752 -2.257 -10.735) 11.310 9.912 ( 2.752 -2.257 10.735) 11.310 10.184 ( -10.187 -1.473 -6.225) 12.029 10.184 ( -10.187 -1.473 6.225) 12.029 10.791 ( -0.018 4.854 -0.515) 4.882 10.791 ( -0.018 4.854 0.515) 4.882 12.124 ( -0.919 -16.698 -0.869) 16.745 12.124 ( -0.919 -16.698 0.869) 16.745 12.793 ( 0.125 8.525 -1.226) 8.614 12.793 ( 0.125 8.525 1.226) 8.614 13.283 ( -0.622 0.321 -2.445) 2.543 13.283 ( -0.622 0.321 2.445) 2.543 13.644 ( 0.771 -0.096 -2.614) 2.727 13.644 ( 0.771 -0.096 2.614) 2.727 13.882 ( 2.688 -2.040 -2.411) 4.147 13.882 ( 2.688 -2.040 2.411) 4.147 14.166 ( 0.099 8.270 -4.739) 9.532 14.166 ( 0.099 8.270 4.739) 9.532 15.258 ( -0.026 -0.585 -0.249) 0.636 15.258 ( -0.026 -0.585 0.249) 0.636 15.475 ( 1.009 -0.214 -0.711) 1.253 15.475 ( 1.009 -0.214 0.711) 1.253 15.802 ( -2.423 -2.269 -0.689) 3.390 15.802 ( -2.423 -2.269 0.689) 3.390 17.084 ( -0.248 2.525 -1.258) 2.832 17.084 ( -0.248 2.525 1.258) 2.832 18.181 ( -0.349 -8.479 -0.945) 8.539 18.181 ( -0.349 -8.479 0.945) 8.539 23.968 ( 0.062 12.958 -1.837) 13.088 23.968 ( 0.062 12.958 1.837) 13.088 24.113 ( 0.012 1.358 -2.067) 2.473 24.113 ( 0.012 1.358 2.067) 2.473 24.670 ( -0.175 6.039 -0.292) 6.049 24.670 ( -0.175 6.039 0.292) 6.049 24.931 ( 0.230 -2.837 -0.230) 2.856 24.931 ( 0.230 -2.837 0.230) 2.856 26.892 ( 9.462 -1.169 -5.459) 10.986 26.892 ( 9.462 -1.169 5.459) 10.986 27.350 ( -10.512 -2.666 -8.544) 13.806 27.350 ( -10.512 -2.666 8.544) 13.806 29.456 ( 1.553 0.414 -1.033) 1.911 29.456 ( 1.553 0.414 1.033) 1.911 30.126 ( -0.237 -5.384 -3.573) 6.466 30.126 ( -0.237 -5.384 3.573) 6.466 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 0.000 0.605 -1.704) 1.808 3.030 ( 0.000 0.605 1.704) 1.808 3.347 ( 0.000 6.496 -3.415) 7.339 3.347 ( 0.000 6.496 3.415) 7.339 3.424 ( 0.000 -2.422 -6.652) 7.079 3.424 ( 0.000 -2.422 6.652) 7.079 4.068 ( 0.000 6.548 -8.261) 10.541 4.068 ( 0.000 6.548 8.261) 10.541 4.252 ( 0.000 10.624 -2.663) 10.953 4.252 ( 0.000 10.624 2.663) 10.953 4.821 ( 0.000 4.788 -7.421) 8.832 4.821 ( 0.000 4.788 7.421) 8.832 4.934 ( 0.000 10.284 -5.360) 11.596 4.934 ( 0.000 10.284 5.360) 11.596 4.983 ( 0.000 4.599 -0.628) 4.641 4.983 ( 0.000 4.599 0.628) 4.641 5.946 ( 0.000 -7.437 -2.165) 7.746 5.946 ( 0.000 -7.437 2.165) 7.746 6.313 ( 0.000 0.490 -3.130) 3.169 6.313 ( 0.000 0.490 3.130) 3.169 6.427 ( 0.000 18.408 -0.064) 18.408 6.427 ( 0.000 18.408 0.064) 18.408 6.977 ( 0.000 9.604 -8.136) 12.587 6.977 ( 0.000 9.604 8.136) 12.587 7.196 ( 0.000 7.796 -7.125) 10.561 7.196 ( 0.000 7.796 7.125) 10.561 7.490 ( 0.000 -2.363 -6.845) 7.242 7.490 ( 0.000 -2.363 6.845) 7.242 7.752 ( 0.000 -2.956 -0.302) 2.971 7.752 ( 0.000 -2.956 0.302) 2.971 7.839 ( 0.000 4.596 -3.110) 5.550 7.839 ( 0.000 4.596 3.110) 5.550 8.067 ( 0.000 -6.834 -7.977) 10.504 8.067 ( 0.000 -6.834 7.977) 10.504 8.839 ( 0.000 5.632 -0.002) 5.632 8.839 ( 0.000 5.632 0.002) 5.632 8.990 ( 0.000 -9.824 -11.499) 15.124 8.990 ( 0.000 -9.824 11.499) 15.124 9.372 ( 0.000 -11.024 -2.353) 11.272 9.372 ( 0.000 -11.024 2.353) 11.272 9.815 ( 0.000 -5.431 -6.442) 8.426 9.815 ( 0.000 -5.431 6.442) 8.426 10.449 ( 0.000 -0.927 -2.939) 3.081 10.449 ( 0.000 -0.927 2.939) 3.081 10.930 ( 0.000 6.879 -0.133) 6.880 10.930 ( 0.000 6.879 0.133) 6.880 11.793 ( 0.000 -17.716 -2.453) 17.885 11.793 ( 0.000 -17.716 2.453) 17.885 12.909 ( 0.000 4.517 -0.546) 4.549 12.909 ( 0.000 4.517 0.546) 4.549 13.243 ( 0.000 -2.067 -3.141) 3.760 13.243 ( 0.000 -2.067 3.141) 3.760 13.632 ( 0.000 -0.666 -2.030) 2.137 13.632 ( 0.000 -0.666 2.030) 2.137 13.822 ( 0.000 -0.515 -2.995) 3.039 13.822 ( 0.000 -0.515 2.995) 3.039 14.327 ( 0.000 12.873 -10.881) 16.856 14.327 ( 0.000 12.873 10.881) 16.856 15.242 ( 0.000 -1.378 -0.623) 1.513 15.242 ( 0.000 -1.378 0.623) 1.513 15.449 ( 0.000 0.741 -0.059) 0.744 15.449 ( 0.000 0.741 0.059) 0.744 15.823 ( 0.000 -4.647 -1.370) 4.844 15.823 ( 0.000 -4.647 1.370) 4.844 17.179 ( 0.000 5.128 -2.369) 5.648 17.179 ( 0.000 5.128 2.369) 5.648 17.963 ( 0.000 -12.592 -0.152) 12.593 17.963 ( 0.000 -12.592 0.152) 12.593 24.163 ( 0.000 4.696 -5.321) 7.097 24.163 ( 0.000 4.696 5.321) 7.097 24.289 ( 0.000 15.952 -0.878) 15.976 24.289 ( 0.000 15.952 0.878) 15.976 24.806 ( 0.000 0.612 -2.040) 2.130 24.806 ( 0.000 0.612 2.040) 2.130 24.859 ( 0.000 1.872 -0.258) 1.890 24.859 ( 0.000 1.872 0.258) 1.890 26.607 ( 0.000 -0.828 -3.940) 4.027 26.607 ( 0.000 -0.828 3.940) 4.027 27.590 ( 0.000 -4.638 -12.234) 13.083 27.590 ( 0.000 -4.638 12.234) 13.083 29.380 ( 0.000 0.259 -1.564) 1.585 29.380 ( 0.000 0.259 1.564) 1.585 30.010 ( 0.000 -6.868 -8.148) 10.657 30.010 ( 0.000 -6.868 8.148) 10.657 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( -0.117 -0.426 -3.425) 3.453 3.021 ( -0.117 -0.426 3.425) 3.453 3.291 ( -4.558 2.405 -2.370) 5.672 3.291 ( -4.558 2.405 2.370) 5.672 3.448 ( 1.838 2.596 -1.303) 3.437 3.448 ( 1.838 2.596 1.303) 3.437 3.918 ( -12.512 5.916 -6.437) 15.264 3.918 ( -12.512 5.916 6.437) 15.264 4.377 ( 10.342 8.891 -1.039) 13.678 4.377 ( 10.342 8.891 1.039) 13.678 4.813 ( -1.883 6.893 -5.719) 9.153 4.813 ( -1.883 6.893 5.719) 9.153 4.966 ( 3.408 9.536 -5.542) 11.544 4.966 ( 3.408 9.536 5.542) 11.544 5.025 ( 3.608 5.008 -4.045) 7.380 5.025 ( 3.608 5.008 4.045) 7.380 5.962 ( 1.560 -5.070 -2.742) 5.972 5.962 ( 1.560 -5.070 2.742) 5.972 6.321 ( 0.628 -0.400 -3.126) 3.213 6.321 ( 0.628 -0.400 3.126) 3.213 6.425 ( -0.238 18.325 -1.289) 18.372 6.425 ( -0.238 18.325 1.289) 18.372 6.990 ( 1.475 9.032 -8.357) 12.394 6.990 ( 1.475 9.032 8.357) 12.394 7.177 ( -2.036 7.910 -8.167) 11.550 7.177 ( -2.036 7.910 8.167) 11.550 7.472 ( -1.435 -2.380 -6.363) 6.944 7.472 ( -1.435 -2.380 6.363) 6.944 7.655 ( -6.357 -1.674 -2.227) 6.940 7.655 ( -6.357 -1.674 2.227) 6.940 7.911 ( 3.665 2.391 -7.568) 8.742 7.911 ( 3.665 2.391 7.568) 8.742 8.079 ( 1.281 -5.885 -9.555) 11.295 8.079 ( 1.281 -5.885 9.555) 11.295 8.849 ( 0.666 6.223 -1.054) 6.347 8.849 ( 0.666 6.223 1.054) 6.347 9.043 ( 5.058 -12.002 -11.748) 17.540 9.043 ( 5.058 -12.002 11.748) 17.540 9.389 ( 2.045 -10.803 -2.301) 11.233 9.389 ( 2.045 -10.803 2.301) 11.233 9.820 ( 0.724 -4.887 -7.422) 8.916 9.820 ( 0.724 -4.887 7.422) 8.916 10.356 ( -9.263 -1.290 -3.063) 9.841 10.356 ( -9.263 -1.290 3.063) 9.841 10.922 ( -0.569 6.829 -0.319) 6.860 10.922 ( -0.569 6.829 0.319) 6.860 11.784 ( -0.756 -17.254 -1.921) 17.377 11.784 ( -0.756 -17.254 1.921) 17.377 12.918 ( 0.930 5.042 -0.621) 5.164 12.918 ( 0.930 5.042 0.621) 5.164 13.266 ( 1.842 -1.306 -3.187) 3.906 13.266 ( 1.842 -1.306 3.187) 3.906 13.631 ( 0.194 -0.488 -1.762) 1.839 13.631 ( 0.194 -0.488 1.762) 1.839 13.817 ( -0.565 -2.288 -1.928) 3.044 13.817 ( -0.565 -2.288 1.928) 3.044 14.355 ( 2.593 13.259 -8.611) 16.021 14.355 ( 2.593 13.259 8.611) 16.021 15.240 ( -0.269 -1.597 -0.553) 1.711 15.240 ( -0.269 -1.597 0.553) 1.711 15.456 ( 0.737 0.506 -0.439) 0.996 15.456 ( 0.737 0.506 0.439) 0.996 15.792 ( -2.908 -4.417 -1.278) 5.440 15.792 ( -2.908 -4.417 1.278) 5.440 17.173 ( -0.503 5.174 -1.898) 5.534 17.173 ( -0.503 5.174 1.898) 5.534 17.963 ( -0.053 -12.347 -0.123) 12.348 17.963 ( -0.053 -12.347 0.123) 12.348 24.167 ( 0.288 4.663 -4.341) 6.377 24.167 ( 0.288 4.663 4.341) 6.377 24.291 ( 0.150 16.173 -0.716) 16.189 24.291 ( 0.150 16.173 0.716) 16.189 24.808 ( 0.143 2.394 -2.041) 3.149 24.808 ( 0.143 2.394 2.041) 3.149 24.856 ( -0.206 0.007 -0.127) 0.242 24.856 ( -0.206 0.007 0.127) 0.242 26.683 ( 7.671 -1.009 -4.736) 9.071 26.683 ( 7.671 -1.009 4.736) 9.071 27.491 ( -9.671 -4.504 -11.238) 15.496 27.491 ( -9.671 -4.504 11.238) 15.496 29.416 ( 3.262 0.652 -1.940) 3.851 29.416 ( 3.262 0.652 1.940) 3.851 29.999 ( -1.041 -7.342 -6.942) 10.158 29.999 ( -1.041 -7.342 6.942) 10.158 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 4.370 -1.206 -4.628) 6.479 3.060 ( 4.370 -1.206 4.628) 6.479 3.188 ( -6.113 -0.294 -4.891) 7.834 3.188 ( -6.113 -0.294 4.891) 7.834 3.490 ( 2.328 6.487 -5.496) 8.815 3.490 ( 2.328 6.487 5.496) 8.815 3.698 ( -8.180 2.656 -6.129) 10.561 3.698 ( -8.180 2.656 6.129) 10.561 4.564 ( 7.617 8.695 -2.277) 11.781 4.564 ( 7.617 8.695 2.277) 11.781 4.748 ( -4.120 9.757 -3.450) 11.139 4.748 ( -4.120 9.757 3.450) 11.139 5.040 ( 3.289 9.054 -5.146) 10.921 5.040 ( 3.289 9.054 5.146) 10.921 5.076 ( 0.985 4.199 -5.141) 6.711 5.076 ( 0.985 4.199 5.141) 6.711 5.995 ( 1.356 0.060 -1.597) 2.096 5.995 ( 1.356 0.060 1.597) 2.096 6.328 ( 0.037 -4.357 -1.631) 4.653 6.328 ( 0.037 -4.357 1.631) 4.653 6.419 ( -0.261 19.978 -1.113) 20.011 6.419 ( -0.261 19.978 1.113) 20.011 7.038 ( 3.533 8.091 -8.611) 12.333 7.038 ( 3.533 8.091 8.611) 12.333 7.119 ( -3.889 7.281 -9.091) 12.279 7.119 ( -3.889 7.281 9.091) 12.279 7.459 ( 0.451 -1.938 -4.864) 5.255 7.459 ( 0.451 -1.938 4.864) 5.255 7.550 ( -4.025 -1.408 -3.602) 5.582 7.550 ( -4.025 -1.408 3.602) 5.582 7.947 ( 0.504 -2.289 -3.542) 4.247 7.947 ( 0.504 -2.289 3.542) 4.247 8.109 ( 1.267 -1.169 -4.254) 4.590 8.109 ( 1.267 -1.169 4.254) 4.590 8.858 ( 0.255 6.369 -0.668) 6.409 8.858 ( 0.255 6.369 0.668) 6.409 9.130 ( 2.684 -15.361 -5.386) 16.498 9.130 ( 2.684 -15.361 5.386) 16.498 9.453 ( 3.570 -11.169 -0.409) 11.733 9.453 ( 3.570 -11.169 0.409) 11.733 9.853 ( 2.731 -2.663 -7.061) 8.025 9.853 ( 2.731 -2.663 7.061) 8.025 10.149 ( -9.723 -1.851 -3.503) 10.499 10.149 ( -9.723 -1.851 3.503) 10.499 10.914 ( -0.226 6.694 -0.171) 6.700 10.914 ( -0.226 6.694 0.171) 6.700 11.772 ( -0.415 -16.623 -0.696) 16.643 11.772 ( -0.415 -16.623 0.696) 16.643 12.937 ( 0.713 5.829 -0.322) 5.881 12.937 ( 0.713 5.829 0.322) 5.881 13.290 ( 0.537 0.316 -1.727) 1.836 13.290 ( 0.537 0.316 1.727) 1.836 13.644 ( 0.852 -0.220 -2.178) 2.349 13.644 ( 0.852 -0.220 2.178) 2.349 13.802 ( -0.690 -5.297 -1.364) 5.514 13.802 ( -0.690 -5.297 1.364) 5.514 14.403 ( 1.687 13.821 -3.214) 14.290 14.403 ( 1.687 13.821 3.214) 14.290 15.233 ( -0.329 -2.197 -0.300) 2.242 15.233 ( -0.329 -2.197 0.300) 2.242 15.475 ( 0.923 0.329 -0.442) 1.075 15.475 ( 0.923 0.329 0.442) 1.075 15.735 ( -2.206 -4.070 -0.641) 4.674 15.735 ( -2.206 -4.070 0.641) 4.674 17.164 ( -0.308 5.255 -0.715) 5.312 17.164 ( -0.308 5.255 0.715) 5.312 17.962 ( -0.030 -11.962 -0.047) 11.962 17.962 ( -0.030 -11.962 0.047) 11.962 24.172 ( 0.172 4.600 -1.677) 4.899 24.172 ( 0.172 4.600 1.677) 4.899 24.294 ( 0.096 16.535 -0.276) 16.538 24.294 ( 0.096 16.535 0.276) 16.538 24.811 ( 0.110 6.041 -1.066) 6.135 24.811 ( 0.110 6.041 1.066) 6.135 24.852 ( -0.151 -3.770 -0.248) 3.782 24.852 ( -0.151 -3.770 0.248) 3.782 26.866 ( 9.594 -1.067 -4.901) 10.826 26.866 ( 9.594 -1.067 4.901) 10.826 27.274 ( -10.711 -4.534 -7.282) 13.723 27.274 ( -10.711 -4.534 7.282) 13.723 29.474 ( 2.007 1.485 -1.147) 2.747 29.474 ( 2.007 1.485 1.147) 2.747 29.979 ( -0.752 -8.292 -2.931) 8.827 29.979 ( -0.752 -8.292 2.931) 8.827 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 0.000 -0.719 -0.052) 0.721 3.026 ( 0.000 -0.719 0.052) 0.721 3.350 ( 0.000 -1.508 -3.405) 3.724 3.350 ( 0.000 -1.508 3.405) 3.724 3.485 ( 0.000 3.956 -0.178) 3.960 3.485 ( 0.000 3.956 0.178) 3.960 4.136 ( 0.000 -0.463 -8.009) 8.023 4.136 ( 0.000 -0.463 8.009) 8.023 4.430 ( 0.000 6.514 -0.777) 6.561 4.430 ( 0.000 6.514 0.777) 6.561 4.929 ( 0.000 7.205 -1.892) 7.449 4.929 ( 0.000 7.205 1.892) 7.449 5.122 ( 0.000 7.172 -0.179) 7.174 5.122 ( 0.000 7.172 0.179) 7.174 5.152 ( 0.000 7.849 -2.067) 8.116 5.152 ( 0.000 7.849 2.067) 8.116 5.767 ( 0.000 -9.003 -1.638) 9.151 5.767 ( 0.000 -9.003 1.638) 9.151 6.265 ( 0.000 -2.036 -1.321) 2.427 6.265 ( 0.000 -2.036 1.321) 2.427 6.912 ( 0.000 23.780 -3.479) 24.033 6.912 ( 0.000 23.780 3.479) 24.033 7.168 ( 0.000 7.970 -9.034) 12.047 7.168 ( 0.000 7.970 9.034) 12.047 7.342 ( 0.000 6.360 -2.756) 6.932 7.342 ( 0.000 6.360 2.756) 6.932 7.463 ( 0.000 0.031 -2.147) 2.148 7.463 ( 0.000 0.031 2.147) 2.148 7.671 ( 0.000 -4.738 -0.612) 4.778 7.671 ( 0.000 -4.738 0.612) 4.778 7.880 ( 0.000 -11.829 -5.847) 13.195 7.880 ( 0.000 -11.829 5.847) 13.195 7.991 ( 0.000 10.020 -3.237) 10.530 7.991 ( 0.000 10.020 3.237) 10.530 8.686 ( 0.000 -15.677 -8.630) 17.895 8.686 ( 0.000 -15.677 8.630) 17.895 8.957 ( 0.000 2.263 -3.628) 4.276 8.957 ( 0.000 2.263 3.628) 4.276 9.217 ( 0.000 -3.394 -3.373) 4.785 9.217 ( 0.000 -3.394 3.373) 4.785 9.680 ( 0.000 -6.622 -5.006) 8.301 9.680 ( 0.000 -6.622 5.006) 8.301 10.434 ( 0.000 -0.529 -1.683) 1.764 10.434 ( 0.000 -0.529 1.683) 1.764 11.074 ( 0.000 7.219 -1.456) 7.365 11.074 ( 0.000 7.219 1.456) 7.365 11.470 ( 0.000 -13.251 -2.552) 13.495 11.470 ( 0.000 -13.251 2.552) 13.495 12.998 ( 0.000 4.110 -0.123) 4.112 12.998 ( 0.000 4.110 0.123) 4.112 13.210 ( 0.000 -1.320 -0.141) 1.328 13.210 ( 0.000 -1.320 0.141) 1.328 13.610 ( 0.000 -0.898 -2.008) 2.199 13.610 ( 0.000 -0.898 2.008) 2.199 13.760 ( 0.000 -4.175 -2.323) 4.778 13.760 ( 0.000 -4.175 2.323) 4.778 14.614 ( 0.000 12.935 -7.025) 14.719 14.614 ( 0.000 12.935 7.025) 14.719 15.198 ( 0.000 -2.850 -1.449) 3.197 15.198 ( 0.000 -2.850 1.449) 3.197 15.469 ( 0.000 1.014 -0.385) 1.084 15.469 ( 0.000 1.014 0.385) 1.084 15.723 ( 0.000 -4.412 -1.223) 4.579 15.723 ( 0.000 -4.412 1.223) 4.579 17.303 ( 0.000 6.831 -0.318) 6.838 17.303 ( 0.000 6.831 0.318) 6.838 17.712 ( 0.000 -11.277 -1.902) 11.436 17.712 ( 0.000 -11.277 1.902) 11.436 24.288 ( 0.000 7.253 -3.373) 7.999 24.288 ( 0.000 7.253 3.373) 7.999 24.531 ( 0.000 3.495 -2.540) 4.321 24.531 ( 0.000 3.495 2.540) 4.321 24.749 ( 0.000 0.390 -1.900) 1.940 24.749 ( 0.000 0.390 1.900) 1.940 24.968 ( 0.000 4.482 -1.063) 4.606 24.968 ( 0.000 4.482 1.063) 4.606 26.595 ( 0.000 -0.292 -2.579) 2.596 26.595 ( 0.000 -0.292 2.579) 2.596 27.498 ( 0.000 -3.749 -7.068) 8.001 27.498 ( 0.000 -3.749 7.068) 8.001 29.390 ( 0.000 0.675 -1.374) 1.531 29.390 ( 0.000 0.675 1.374) 1.531 29.880 ( 0.000 -5.161 -4.575) 6.897 29.880 ( 0.000 -5.161 4.575) 6.897 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -0.919 -0.820 -2.171) 2.496 3.006 ( -0.919 -0.820 2.171) 2.496 3.304 ( -4.469 -0.093 -3.197) 5.495 3.304 ( -4.469 -0.093 3.197) 5.495 3.503 ( 1.843 2.176 -2.624) 3.875 3.503 ( 1.843 2.176 2.624) 3.875 3.966 ( -14.499 -0.697 -5.880) 15.661 3.966 ( -14.499 -0.697 5.880) 15.661 4.558 ( 11.369 7.066 -1.294) 13.449 4.558 ( 11.369 7.066 1.294) 13.449 4.949 ( 0.829 7.623 -1.625) 7.839 4.949 ( 0.829 7.623 1.625) 7.839 5.137 ( 0.915 6.115 -0.786) 6.233 5.137 ( 0.915 6.115 0.786) 6.233 5.185 ( 2.827 7.072 -1.242) 7.717 5.185 ( 2.827 7.072 1.242) 7.717 5.833 ( 6.699 -6.358 -2.012) 9.453 5.833 ( 6.699 -6.358 2.012) 9.453 6.264 ( -0.435 -2.395 -1.709) 2.974 6.264 ( -0.435 -2.395 1.709) 2.974 6.893 ( -1.717 22.417 -3.109) 22.697 6.893 ( -1.717 22.417 3.109) 22.697 7.170 ( 0.305 7.342 -8.964) 11.591 7.170 ( 0.305 7.342 8.964) 11.591 7.336 ( -1.288 7.730 -7.965) 11.174 7.336 ( -1.288 7.730 7.965) 11.174 7.439 ( -1.409 -0.929 -7.301) 7.493 7.439 ( -1.409 -0.929 7.301) 7.493 7.615 ( -4.524 -1.895 -3.529) 6.043 7.615 ( -4.524 -1.895 3.529) 6.043 7.877 ( -1.219 -10.222 -5.671) 11.753 7.877 ( -1.219 -10.222 5.671) 11.753 8.049 ( 5.410 7.301 -2.288) 9.371 8.049 ( 5.410 7.301 2.288) 9.371 8.714 ( 2.420 -17.370 -7.479) 19.066 8.714 ( 2.420 -17.370 7.479) 19.066 8.959 ( 0.171 2.676 -2.919) 3.964 8.959 ( 0.171 2.676 2.919) 3.964 9.221 ( 0.431 -5.195 -3.027) 6.028 9.221 ( 0.431 -5.195 3.027) 6.028 9.711 ( 3.516 -4.806 -5.076) 7.825 9.711 ( 3.516 -4.806 5.076) 7.825 10.336 ( -9.741 -0.657 -1.443) 9.870 10.336 ( -9.741 -0.657 1.443) 9.870 11.068 ( -0.524 7.352 -1.287) 7.482 11.068 ( -0.524 7.352 1.287) 7.482 11.467 ( -0.282 -13.196 -1.984) 13.347 11.467 ( -0.282 -13.196 1.984) 13.347 13.020 ( 2.058 4.923 -0.392) 5.351 13.020 ( 2.058 4.923 0.392) 5.351 13.240 ( 2.583 -1.578 -0.177) 3.032 13.240 ( 2.583 -1.578 0.177) 3.032 13.609 ( 0.113 -1.126 -0.947) 1.475 13.609 ( 0.113 -1.126 0.947) 1.475 13.741 ( -1.983 -4.164 -2.408) 5.203 13.741 ( -1.983 -4.164 2.408) 5.203 14.643 ( 2.775 13.080 -5.883) 14.608 14.643 ( 2.775 13.080 5.883) 14.608 15.186 ( -1.326 -3.647 -1.427) 4.135 15.186 ( -1.326 -3.647 1.427) 4.135 15.472 ( 0.546 0.963 -0.132) 1.114 15.472 ( 0.546 0.963 0.132) 1.114 15.698 ( -2.489 -4.194 -1.039) 4.987 15.698 ( -2.489 -4.194 1.039) 4.987 17.302 ( -0.098 7.242 -0.215) 7.246 17.302 ( -0.098 7.242 0.215) 7.246 17.713 ( 0.096 -11.428 -1.538) 11.531 17.713 ( 0.096 -11.428 1.538) 11.531 24.292 ( 0.311 7.270 -2.707) 7.764 24.292 ( 0.311 7.270 2.707) 7.764 24.534 ( 0.243 3.390 -2.107) 3.999 24.534 ( 0.243 3.390 2.107) 3.999 24.763 ( 1.406 0.944 -1.612) 2.338 24.763 ( 1.406 0.944 1.612) 2.338 24.954 ( -1.397 4.097 -0.910) 4.424 24.954 ( -1.397 4.097 0.910) 4.424 26.668 ( 7.483 -0.352 -3.074) 8.097 26.668 ( 7.483 -0.352 3.074) 8.097 27.402 ( -9.553 -3.710 -6.598) 12.188 27.402 ( -9.553 -3.710 6.598) 12.188 29.437 ( 4.340 1.237 -1.687) 4.818 29.437 ( 4.340 1.237 1.687) 4.818 29.857 ( -2.267 -5.795 -4.146) 7.477 29.857 ( -2.267 -5.795 4.146) 7.477 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 4.987 -0.542 -2.831) 5.760 3.040 ( 4.987 -0.542 2.831) 5.760 3.185 ( -7.691 -0.011 -3.103) 8.293 3.185 ( -7.691 -0.011 3.103) 8.293 3.559 ( 4.334 0.804 -4.343) 6.188 3.559 ( 4.334 0.804 4.343) 6.188 3.706 ( -10.773 -1.017 -4.934) 11.893 3.706 ( -10.773 -1.017 4.934) 11.893 4.772 ( 8.840 9.565 -1.897) 13.162 4.772 ( 8.840 9.565 1.897) 13.162 4.938 ( -1.982 7.778 -2.087) 8.293 4.938 ( -1.982 7.778 2.087) 8.293 5.142 ( -0.272 4.163 -0.477) 4.199 5.142 ( -0.272 4.163 0.477) 4.199 5.224 ( 0.953 4.875 -0.831) 5.036 5.224 ( 0.953 4.875 0.831) 5.036 5.986 ( 7.350 -0.189 -1.247) 7.458 5.986 ( 7.350 -0.189 1.247) 7.458 6.232 ( -2.887 -4.204 -1.387) 5.285 6.232 ( -2.887 -4.204 1.387) 5.285 6.862 ( -1.091 20.090 -1.328) 20.163 6.862 ( -1.091 20.090 1.328) 20.163 7.187 ( 1.579 4.603 -6.932) 8.470 7.187 ( 1.579 4.603 6.932) 8.470 7.277 ( -3.735 8.327 -7.300) 11.687 7.277 ( -3.735 8.327 7.300) 11.687 7.454 ( 2.769 1.314 -6.854) 7.508 7.454 ( 2.769 1.314 6.854) 7.508 7.528 ( -4.390 0.285 -4.176) 6.066 7.528 ( -4.390 0.285 4.177) 6.066 7.848 ( -1.161 -8.228 -1.884) 8.520 7.848 ( -1.161 -8.228 1.884) 8.520 8.141 ( 3.066 5.276 -0.591) 6.131 8.141 ( 3.066 5.276 0.591) 6.131 8.753 ( 1.246 -19.834 -3.097) 20.114 8.753 ( 1.246 -19.834 3.098) 20.114 8.963 ( 0.199 3.810 -1.058) 3.959 8.963 ( 0.199 3.810 1.058) 3.959 9.231 ( 0.471 -9.704 -1.438) 9.822 9.231 ( 0.471 -9.704 1.438) 9.822 9.825 ( 7.938 -0.057 -3.785) 8.794 9.825 ( 7.938 -0.057 3.785) 8.794 10.110 ( -11.848 -1.776 -1.776) 12.112 10.110 ( -11.848 -1.776 1.776) 12.112 11.060 ( -0.247 7.485 -0.533) 7.508 11.060 ( -0.247 7.485 0.533) 7.508 11.462 ( -0.186 -13.130 -0.717) 13.151 11.462 ( -0.186 -13.130 0.717) 13.151 13.058 ( 1.378 6.250 -0.248) 6.405 13.058 ( 1.378 6.250 0.248) 6.405 13.282 ( 1.314 -1.734 -0.155) 2.181 13.282 ( 1.314 -1.734 0.155) 2.181 13.626 ( 1.620 -1.496 -1.502) 2.668 13.626 ( 1.620 -1.496 1.502) 2.668 13.692 ( -2.663 -4.443 -2.311) 5.672 13.692 ( -2.663 -4.443 2.311) 5.672 14.697 ( 2.062 13.898 -2.478) 14.267 14.697 ( 2.062 13.898 2.478) 14.267 15.154 ( -1.410 -5.664 -0.837) 5.896 15.154 ( -1.410 -5.664 0.837) 5.896 15.493 ( 1.269 1.459 -0.203) 1.945 15.493 ( 1.269 1.459 0.203) 1.945 15.646 ( -2.234 -4.234 -0.485) 4.812 15.646 ( -2.234 -4.234 0.485) 4.812 17.300 ( -0.065 7.882 -0.059) 7.882 17.300 ( -0.065 7.882 0.059) 7.882 17.714 ( 0.060 -11.657 -0.587) 11.672 17.714 ( 0.060 -11.657 0.587) 11.672 24.297 ( 0.182 7.291 -1.019) 7.364 24.297 ( 0.182 7.291 1.019) 7.364 24.538 ( 0.135 3.197 -0.833) 3.306 24.538 ( 0.135 3.197 0.833) 3.306 24.794 ( 1.333 2.253 -0.677) 2.704 24.794 ( 1.333 2.253 0.677) 2.704 24.924 ( -1.304 3.095 -0.392) 3.381 24.924 ( -1.304 3.095 0.392) 3.381 26.857 ( 10.938 0.205 -3.617) 11.523 26.857 ( 10.938 0.205 3.617) 11.523 27.178 ( -12.109 -4.311 -4.908) 13.759 27.178 ( -12.109 -4.311 4.908) 13.759 29.521 ( 3.316 3.115 -1.261) 4.721 29.521 ( 3.316 3.115 1.261) 4.721 29.808 ( -2.142 -7.778 -2.145) 8.348 29.808 ( -2.142 -7.778 2.145) 8.348 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.531 ( 0.000 -0.000 0.000) 0.000 3.531 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 -0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 -0.000 0.000) 0.000 5.649 ( 0.000 -0.000 0.000) 0.000 6.244 ( 0.000 0.000 0.000) 0.000 6.244 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 -0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 -0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 -0.000 0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 -0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 -0.000 -0.000) 0.000 7.545 ( 0.000 0.000 -0.000) 0.000 7.658 ( 0.000 -0.000 -0.000) 0.000 7.658 ( 0.000 0.000 -0.000) 0.000 8.174 ( 0.000 -0.000 0.000) 0.000 8.174 ( 0.000 0.000 0.000) 0.000 8.441 ( 0.000 -0.000 -0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.598 ( 0.000 0.000 0.000) 0.000 9.598 ( 0.000 -0.000 0.000) 0.000 10.428 ( 0.000 -0.000 0.000) 0.000 10.428 ( 0.000 0.000 0.000) 0.000 11.216 ( 0.000 0.000 0.000) 0.000 11.216 ( 0.000 0.000 0.000) 0.000 11.266 ( 0.000 -0.000 0.000) 0.000 11.266 ( 0.000 -0.000 0.000) 0.000 13.052 ( 0.000 0.000 0.000) 0.000 13.052 ( 0.000 0.000 0.000) 0.000 13.190 ( 0.000 0.000 0.000) 0.000 13.190 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.703 ( 0.000 -0.000 0.000) 0.000 13.703 ( 0.000 0.000 0.000) 0.000 14.772 ( 0.000 -0.000 0.000) 0.000 14.772 ( 0.000 0.000 0.000) 0.000 15.153 ( 0.000 0.000 0.000) 0.000 15.153 ( 0.000 0.000 0.000) 0.000 15.482 ( 0.000 -0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 15.671 ( 0.000 -0.000 0.000) 0.000 15.671 ( 0.000 0.000 0.000) 0.000 17.423 ( 0.000 0.000 0.000) 0.000 17.423 ( 0.000 0.000 0.000) 0.000 17.545 ( 0.000 -0.000 0.000) 0.000 17.545 ( 0.000 0.000 0.000) 0.000 24.442 ( 0.000 0.000 0.000) 0.000 24.442 ( 0.000 0.000 0.000) 0.000 24.452 ( 0.000 -0.000 -0.000) 0.000 24.452 ( 0.000 -0.000 0.000) 0.000 24.796 ( 0.000 0.000 0.000) 0.000 24.796 ( 0.000 0.000 0.000) 0.000 25.015 ( 0.000 0.000 0.000) 0.000 25.015 ( 0.000 0.000 0.000) 0.000 26.593 ( 0.000 0.000 0.000) 0.000 26.593 ( 0.000 0.000 0.000) 0.000 27.456 ( 0.000 -0.000 0.000) 0.000 27.456 ( 0.000 0.000 0.000) 0.000 29.400 ( 0.000 0.000 0.000) 0.000 29.400 ( 0.000 0.000 0.000) 0.000 29.822 ( 0.000 -0.000 0.000) 0.000 29.822 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( -0.825 0.000 0.000) 0.825 2.996 ( -0.825 0.000 0.000) 0.825 3.302 ( -3.684 0.000 0.000) 3.684 3.302 ( -3.684 0.000 0.000) 3.684 3.529 ( 0.373 -0.000 0.000) 0.373 3.529 ( 0.373 0.000 0.000) 0.373 3.946 ( -14.539 0.000 0.000) 14.539 3.946 ( -14.539 0.000 0.000) 14.539 4.630 ( 12.148 -0.000 0.000) 12.148 4.630 ( 12.148 0.000 0.000) 12.148 5.080 ( 0.918 -0.000 0.000) 0.918 5.080 ( 0.918 0.000 0.000) 0.918 5.176 ( 0.484 0.000 0.000) 0.484 5.176 ( 0.484 0.000 0.000) 0.484 5.261 ( 0.608 0.000 0.000) 0.608 5.261 ( 0.608 0.000 0.000) 0.608 5.756 ( 10.353 -0.000 0.000) 10.353 5.756 ( 10.353 -0.000 0.000) 10.353 6.238 ( -0.915 0.000 0.000) 0.915 6.238 ( -0.915 0.000 0.000) 0.915 7.183 ( -1.562 -0.000 0.000) 1.562 7.183 ( -1.562 0.000 0.000) 1.562 7.243 ( -5.156 -0.000 0.000) 5.156 7.243 ( -5.156 0.000 0.000) 5.156 7.428 ( -0.241 -0.000 0.000) 0.241 7.428 ( -0.241 0.000 0.000) 0.241 7.528 ( -2.173 -0.000 0.000) 2.173 7.528 ( -2.173 0.000 0.000) 2.173 7.552 ( 1.732 -0.000 -0.000) 1.732 7.552 ( 1.732 0.000 -0.000) 1.732 7.663 ( 0.047 -0.000 -0.000) 0.047 7.663 ( 0.047 0.000 -0.000) 0.047 8.222 ( 4.704 -0.000 0.000) 4.704 8.222 ( 4.704 0.000 0.000) 4.704 8.434 ( -0.816 -0.000 -0.000) 0.816 8.434 ( -0.816 0.000 0.000) 0.816 8.979 ( 1.264 0.000 0.000) 1.264 8.979 ( 1.264 0.000 0.000) 1.264 9.172 ( -2.891 0.000 0.000) 2.891 9.172 ( -2.891 0.000 0.000) 2.891 9.656 ( 6.130 0.000 0.000) 6.130 9.656 ( 6.130 -0.000 0.000) 6.130 10.329 ( -9.887 -0.000 0.000) 9.887 10.329 ( -9.887 0.000 0.000) 9.887 11.217 ( 0.131 0.000 0.000) 0.131 11.217 ( 0.131 0.000 0.000) 0.131 11.258 ( -0.814 -0.000 0.000) 0.814 11.258 ( -0.814 -0.000 0.000) 0.814 13.090 ( 3.675 0.000 0.000) 3.675 13.090 ( 3.675 0.000 0.000) 3.675 13.209 ( 1.477 0.000 0.000) 1.477 13.209 ( 1.477 0.000 0.000) 1.477 13.600 ( -0.383 -0.000 0.000) 0.383 13.600 ( -0.383 0.000 0.000) 0.383 13.687 ( -1.650 0.000 0.000) 1.650 13.687 ( -1.650 0.000 0.000) 1.650 14.809 ( 3.778 -0.000 0.000) 3.778 14.809 ( 3.778 0.000 0.000) 3.778 15.125 ( -3.133 -0.000 0.000) 3.133 15.125 ( -3.133 0.000 0.000) 3.133 15.485 ( 0.731 -0.000 0.000) 0.731 15.485 ( 0.731 0.000 0.000) 0.731 15.648 ( -2.372 -0.000 0.000) 2.372 15.648 ( -2.372 0.000 0.000) 2.372 17.437 ( 1.351 0.000 0.000) 1.351 17.437 ( 1.351 0.000 0.000) 1.351 17.535 ( -1.088 -0.000 0.000) 1.088 17.535 ( -1.088 0.000 0.000) 1.088 24.447 ( 0.441 0.000 -0.000) 0.441 24.447 ( 0.441 0.000 0.000) 0.441 24.454 ( 0.136 -0.000 -0.000) 0.136 24.454 ( 0.136 -0.000 0.000) 0.136 24.817 ( 2.124 0.000 0.000) 2.124 24.817 ( 2.124 0.000 0.000) 2.124 24.995 ( -2.056 0.000 0.000) 2.056 24.995 ( -2.056 0.000 0.000) 2.056 26.666 ( 7.494 0.000 0.000) 7.494 26.666 ( 7.494 0.000 0.000) 7.494 27.360 ( -9.585 -0.000 0.000) 9.585 27.360 ( -9.585 0.000 0.000) 9.585 29.454 ( 5.258 -0.000 0.000) 5.258 29.454 ( 5.258 0.000 0.000) 5.258 29.791 ( -3.256 -0.000 0.000) 3.256 29.791 ( -3.256 0.000 0.000) 3.256 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 5.622 0.000 0.000) 5.622 3.036 ( 5.622 0.000 0.000) 5.622 3.185 ( -8.338 0.000 0.000) 8.338 3.185 ( -8.338 0.000 0.000) 8.338 3.563 ( 3.554 0.000 0.000) 3.554 3.563 ( 3.554 0.000 0.000) 3.554 3.689 ( -10.429 0.000 0.000) 10.429 3.689 ( -10.429 0.000 0.000) 10.429 4.876 ( 11.921 -0.000 0.000) 11.921 4.876 ( 11.921 0.000 0.000) 11.921 5.041 ( -5.188 -0.000 0.000) 5.188 5.041 ( -5.188 0.000 0.000) 5.188 5.200 ( 2.153 0.000 0.000) 2.153 5.200 ( 2.153 0.000 0.000) 2.153 5.248 ( -2.192 0.000 0.000) 2.192 5.248 ( -2.192 0.000 0.000) 2.192 5.991 ( 12.681 0.000 0.000) 12.681 5.991 ( 12.681 0.000 0.000) 12.681 6.179 ( -6.250 0.000 0.000) 6.250 6.179 ( -6.250 0.000 0.000) 6.250 7.150 ( -1.383 -0.000 0.000) 1.383 7.150 ( -1.383 0.000 0.000) 1.383 7.158 ( -2.742 -0.000 0.000) 2.742 7.158 ( -2.742 0.000 0.000) 2.742 7.434 ( 1.098 -0.000 0.000) 1.098 7.434 ( 1.098 0.000 0.000) 1.098 7.473 ( -2.934 -0.000 0.000) 2.934 7.473 ( -2.934 0.000 0.000) 2.934 7.597 ( 2.741 -0.000 0.000) 2.741 7.597 ( 2.741 0.000 0.000) 2.741 7.645 ( -1.995 -0.000 -0.000) 1.995 7.645 ( -1.995 0.000 0.000) 1.995 8.325 ( 5.327 0.000 0.000) 5.327 8.325 ( 5.327 0.000 -0.000) 5.327 8.403 ( -2.719 -0.000 0.000) 2.719 8.403 ( -2.719 -0.000 0.000) 2.719 9.023 ( 3.366 -0.000 0.000) 3.366 9.023 ( 3.366 0.000 0.000) 3.366 9.100 ( -4.348 0.000 0.000) 4.348 9.100 ( -4.348 0.000 0.000) 4.348 9.830 ( 11.943 -0.000 0.000) 11.943 9.830 ( 11.943 0.000 0.000) 11.943 10.088 ( -14.231 0.000 0.000) 14.231 10.088 ( -14.231 0.000 0.000) 14.231 11.223 ( 0.603 0.000 0.000) 0.603 11.223 ( 0.603 0.000 0.000) 0.603 11.239 ( -0.994 -0.000 0.000) 0.994 11.239 ( -0.994 -0.000 0.000) 0.994 13.170 ( 4.013 -0.000 0.000) 4.013 13.170 ( 4.013 0.000 0.000) 4.013 13.220 ( -0.905 0.000 0.000) 0.905 13.220 ( -0.905 0.000 0.000) 0.905 13.605 ( 1.256 -0.000 0.000) 1.256 13.605 ( 1.256 0.000 0.000) 1.256 13.645 ( -2.510 0.000 0.000) 2.510 13.645 ( -2.510 0.000 0.000) 2.510 14.908 ( 6.329 -0.000 0.000) 6.329 14.908 ( 6.329 0.000 0.000) 6.329 15.033 ( -6.221 -0.000 0.000) 6.221 15.033 ( -6.221 0.000 0.000) 6.221 15.521 ( 2.966 0.000 0.000) 2.966 15.521 ( 2.966 0.000 0.000) 2.966 15.588 ( -3.679 0.000 0.000) 3.679 15.588 ( -3.679 0.000 0.000) 3.679 17.469 ( 1.961 0.000 0.000) 1.961 17.469 ( 1.961 0.000 0.000) 1.961 17.506 ( -1.807 -0.000 0.000) 1.807 17.506 ( -1.807 0.000 0.000) 1.807 24.454 ( 0.271 0.000 -0.000) 0.271 24.454 ( 0.271 0.000 0.000) 0.271 24.456 ( 0.053 -0.000 -0.000) 0.053 24.456 ( 0.053 -0.000 0.000) 0.053 24.872 ( 3.524 0.000 0.000) 3.524 24.872 ( 3.524 0.000 0.000) 3.524 24.941 ( -3.453 -0.000 0.000) 3.453 24.941 ( -3.453 0.000 0.000) 3.453 26.864 ( 12.787 0.000 0.000) 12.787 26.864 ( 12.787 0.000 0.000) 12.787 27.126 ( -13.976 -0.000 0.000) 13.976 27.126 ( -13.976 0.000 0.000) 13.976 29.576 ( 7.020 -0.000 0.000) 7.020 29.576 ( 7.020 0.000 0.000) 7.020 29.702 ( -5.885 -0.000 0.000) 5.885 29.702 ( -5.885 0.000 0.000) 5.885 =================== 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 3/33600 10.0 9434.319 7968.518 5388.917 0.000 0.000 0.000 3/33600 20.0 1738.763 1821.732 1711.435 0.000 0.000 -0.000 3/33600 30.0 426.438 482.327 487.727 0.000 0.000 -0.000 3/33600 40.0 159.558 179.511 182.460 0.000 0.000 -0.000 3/33600 50.0 78.978 87.524 88.517 0.000 0.000 -0.000 3/33600 60.0 46.809 51.371 51.578 0.000 0.000 -0.000 3/33600 70.0 31.261 34.158 34.070 0.000 0.000 -0.000 3/33600 80.0 22.667 24.750 24.555 0.000 0.000 -0.000 3/33600 90.0 17.434 19.063 18.832 0.000 0.000 -0.000 3/33600 100.0 14.006 15.356 15.116 0.000 0.000 -0.000 3/33600 110.0 11.631 12.793 12.556 0.000 0.000 -0.000 3/33600 120.0 9.910 10.939 10.707 0.000 0.000 -0.000 3/33600 130.0 8.617 9.547 9.321 0.000 0.000 -0.000 3/33600 140.0 7.617 8.470 8.249 0.000 0.000 -0.000 3/33600 150.0 6.824 7.615 7.399 0.000 0.000 -0.000 3/33600 160.0 6.182 6.923 6.710 0.000 0.000 -0.000 3/33600 170.0 5.654 6.352 6.142 0.000 0.000 -0.000 3/33600 180.0 5.211 5.874 5.666 0.000 0.000 -0.000 3/33600 190.0 4.837 5.468 5.261 0.000 0.000 -0.000 3/33600 200.0 4.516 5.120 4.914 0.000 0.000 -0.000 3/33600 210.0 4.237 4.819 4.612 0.000 0.000 -0.000 3/33600 220.0 3.995 4.555 4.348 0.000 0.000 -0.000 3/33600 230.0 3.781 4.322 4.114 0.000 0.000 -0.000 3/33600 240.0 3.591 4.116 3.907 0.000 0.000 -0.000 3/33600 250.0 3.421 3.931 3.721 0.000 0.000 -0.000 3/33600 260.0 3.269 3.765 3.553 0.000 0.000 -0.000 3/33600 270.0 3.132 3.614 3.401 0.000 0.000 -0.000 3/33600 280.0 3.007 3.477 3.263 0.000 0.000 -0.000 3/33600 290.0 2.893 3.352 3.137 0.000 0.000 -0.000 3/33600 300.0 2.788 3.237 3.021 0.000 0.000 -0.000 3/33600 310.0 2.692 3.131 2.914 0.000 0.000 -0.000 3/33600 320.0 2.603 3.033 2.815 0.000 0.000 -0.000 3/33600 330.0 2.521 2.942 2.723 0.000 0.000 -0.000 3/33600 340.0 2.444 2.857 2.637 0.000 0.000 -0.000 3/33600 350.0 2.373 2.778 2.558 0.000 0.000 -0.000 3/33600 360.0 2.306 2.704 2.483 0.000 0.000 -0.000 3/33600 370.0 2.243 2.634 2.413 0.000 0.000 -0.000 3/33600 380.0 2.184 2.568 2.347 0.000 0.000 -0.000 3/33600 390.0 2.129 2.506 2.285 0.000 0.000 -0.000 3/33600 400.0 2.076 2.447 2.226 0.000 0.000 -0.000 3/33600 410.0 2.027 2.391 2.170 0.000 0.000 -0.000 3/33600 420.0 1.980 2.338 2.118 0.000 0.000 -0.000 3/33600 430.0 1.935 2.287 2.068 0.000 0.000 -0.000 3/33600 440.0 1.892 2.239 2.020 0.000 0.000 -0.000 3/33600 450.0 1.852 2.193 1.975 0.000 0.000 -0.000 3/33600 460.0 1.813 2.149 1.932 0.000 0.000 -0.000 3/33600 470.0 1.776 2.107 1.890 0.000 0.000 -0.000 3/33600 480.0 1.740 2.066 1.851 0.000 0.000 -0.000 3/33600 490.0 1.706 2.028 1.813 0.000 0.000 -0.000 3/33600 500.0 1.674 1.990 1.777 0.000 0.000 -0.000 3/33600 510.0 1.643 1.954 1.742 0.000 0.000 -0.000 3/33600 520.0 1.613 1.920 1.709 0.000 0.000 -0.000 3/33600 530.0 1.584 1.887 1.677 0.000 0.000 -0.000 3/33600 540.0 1.556 1.855 1.646 0.000 0.000 -0.000 3/33600 550.0 1.529 1.824 1.617 0.000 0.000 -0.000 3/33600 560.0 1.503 1.794 1.588 0.000 0.000 -0.000 3/33600 570.0 1.478 1.765 1.561 0.000 0.000 -0.000 3/33600 580.0 1.454 1.737 1.534 0.000 0.000 -0.000 3/33600 590.0 1.430 1.710 1.508 0.000 0.000 -0.000 3/33600 600.0 1.408 1.684 1.484 0.000 0.000 -0.000 3/33600 610.0 1.386 1.658 1.460 0.000 0.000 -0.000 3/33600 620.0 1.365 1.634 1.437 0.000 0.000 -0.000 3/33600 630.0 1.344 1.610 1.414 0.000 0.000 -0.000 3/33600 640.0 1.324 1.587 1.392 0.000 0.000 -0.000 3/33600 650.0 1.305 1.564 1.371 0.000 0.000 -0.000 3/33600 660.0 1.286 1.542 1.351 0.000 0.000 -0.000 3/33600 670.0 1.268 1.521 1.331 0.000 0.000 -0.000 3/33600 680.0 1.250 1.500 1.312 0.000 0.000 -0.000 3/33600 690.0 1.233 1.480 1.293 0.000 0.000 -0.000 3/33600 700.0 1.217 1.461 1.275 0.000 0.000 -0.000 3/33600 710.0 1.200 1.441 1.257 0.000 0.000 -0.000 3/33600 720.0 1.184 1.423 1.240 0.000 0.000 -0.000 3/33600 730.0 1.169 1.405 1.224 0.000 0.000 -0.000 3/33600 740.0 1.154 1.387 1.207 0.000 0.000 -0.000 3/33600 750.0 1.139 1.370 1.192 0.000 0.000 -0.000 3/33600 760.0 1.125 1.353 1.176 0.000 0.000 -0.000 3/33600 770.0 1.111 1.337 1.161 0.000 0.000 -0.000 3/33600 780.0 1.098 1.321 1.147 0.000 0.000 -0.000 3/33600 790.0 1.084 1.305 1.132 0.000 0.000 -0.000 3/33600 800.0 1.071 1.290 1.118 0.000 0.000 -0.000 3/33600 810.0 1.059 1.275 1.105 0.000 0.000 -0.000 3/33600 820.0 1.046 1.260 1.092 0.000 0.000 -0.000 3/33600 830.0 1.034 1.246 1.079 0.000 0.000 -0.000 3/33600 840.0 1.023 1.232 1.066 0.000 0.000 -0.000 3/33600 850.0 1.011 1.218 1.054 0.000 0.000 -0.000 3/33600 860.0 1.000 1.205 1.042 0.000 0.000 -0.000 3/33600 870.0 0.989 1.192 1.030 0.000 0.000 -0.000 3/33600 880.0 0.978 1.179 1.018 0.000 0.000 -0.000 3/33600 890.0 0.968 1.167 1.007 0.000 0.000 -0.000 3/33600 900.0 0.957 1.155 0.996 0.000 0.000 -0.000 3/33600 910.0 0.947 1.143 0.985 0.000 0.000 -0.000 3/33600 920.0 0.937 1.131 0.975 0.000 0.000 -0.000 3/33600 930.0 0.928 1.119 0.965 0.000 0.000 -0.000 3/33600 940.0 0.918 1.108 0.955 0.000 0.000 -0.000 3/33600 950.0 0.909 1.097 0.945 0.000 0.000 -0.000 3/33600 960.0 0.900 1.086 0.935 0.000 0.000 -0.000 3/33600 970.0 0.891 1.076 0.926 0.000 0.000 -0.000 3/33600 980.0 0.882 1.065 0.916 0.000 0.000 -0.000 3/33600 990.0 0.873 1.055 0.907 0.000 0.000 -0.000 3/33600 1000.0 0.865 1.045 0.898 0.000 0.000 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:22:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|