----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:20:49]------------------------- 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.652074889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.216581379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.633525949999997 Atomic positions (fractional): *1 Hf 0.06931467284833 0.75000000000000 0.37649490079402 178.490 *2 Hf 0.10766957052203 0.75000000000000 0.90729343037784 178.490 *3 Hf 0.22854352245089 0.75000000000000 0.64813719667706 178.490 4 Hf 0.27145647754911 0.25000000000000 0.14813719667706 178.490 5 Hf 0.39233042947797 0.25000000000000 0.40729343037784 178.490 6 Hf 0.43068532715167 0.25000000000000 0.87649490079402 178.490 7 Hf 0.56931467284833 0.75000000000000 0.12350509920598 178.490 8 Hf 0.60766957052203 0.75000000000000 0.59270656962216 178.490 9 Hf 0.72854352245090 0.75000000000000 0.85186280332294 178.490 10 Hf 0.77145647754910 0.25000000000000 0.35186280332294 178.490 11 Hf 0.89233042947797 0.25000000000000 0.09270656962216 178.490 12 Hf 0.93068532715167 0.25000000000000 0.62350509920598 178.490 *13 N 0.00677032191341 0.75000000000000 0.72531898672484 14.007 *14 N 0.10287220688152 0.25000000000000 0.03035634414153 14.007 *15 N 0.14254382799875 0.25000000000000 0.51822448451155 14.007 *16 N 0.23645262445571 0.25000000000000 0.78674753441372 14.007 17 N 0.26354737554429 0.75000000000000 0.28674753441372 14.007 18 N 0.35745617200125 0.75000000000000 0.01822448451155 14.007 19 N 0.39712779311848 0.75000000000000 0.53035634414153 14.007 20 N 0.49322967808659 0.25000000000000 0.22531898672484 14.007 21 N 0.50677032191341 0.75000000000000 0.77468101327516 14.007 22 N 0.60287220688152 0.25000000000000 0.46964365585847 14.007 23 N 0.64254382799875 0.25000000000000 0.98177551548845 14.007 24 N 0.73645262445571 0.25000000000000 0.71325246558628 14.007 25 N 0.76354737554429 0.75000000000000 0.21325246558628 14.007 26 N 0.85745617200125 0.75000000000000 0.48177551548845 14.007 27 N 0.89712779311848 0.75000000000000 0.96964365585847 14.007 28 N 0.99322967808659 0.25000000000000 0.27468101327516 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.652074889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.216581379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.633525949999997 Atomic positions (fractional): *1 Hf 0.06931467284833 0.75000000000000 0.37649490079402 178.490 > 1 *2 Hf 0.10766957052203 0.75000000000000 0.90729343037784 178.490 > 2 *3 Hf 0.22854352245089 0.75000000000000 0.64813719667706 178.490 > 3 4 Hf 0.27145647754911 0.25000000000000 0.14813719667706 178.490 > 4 5 Hf 0.39233042947797 0.25000000000000 0.40729343037784 178.490 > 5 6 Hf 0.43068532715167 0.25000000000000 0.87649490079402 178.490 > 6 7 Hf 0.56931467284833 0.75000000000000 0.12350509920598 178.490 > 7 8 Hf 0.60766957052203 0.75000000000000 0.59270656962216 178.490 > 8 9 Hf 0.72854352245090 0.75000000000000 0.85186280332294 178.490 > 9 10 Hf 0.77145647754910 0.25000000000000 0.35186280332294 178.490 > 10 11 Hf 0.89233042947797 0.25000000000000 0.09270656962216 178.490 > 11 12 Hf 0.93068532715167 0.25000000000000 0.62350509920598 178.490 > 12 *13 N 0.00677032191341 0.75000000000000 0.72531898672484 14.007 > 13 *14 N 0.10287220688152 0.25000000000000 0.03035634414153 14.007 > 14 *15 N 0.14254382799875 0.25000000000000 0.51822448451155 14.007 > 15 *16 N 0.23645262445571 0.25000000000000 0.78674753441372 14.007 > 16 17 N 0.26354737554429 0.75000000000000 0.28674753441372 14.007 > 17 18 N 0.35745617200125 0.75000000000000 0.01822448451155 14.007 > 18 19 N 0.39712779311848 0.75000000000000 0.53035634414153 14.007 > 19 20 N 0.49322967808659 0.25000000000000 0.22531898672484 14.007 > 20 21 N 0.50677032191341 0.75000000000000 0.77468101327516 14.007 > 21 22 N 0.60287220688152 0.25000000000000 0.46964365585847 14.007 > 22 23 N 0.64254382799875 0.25000000000000 0.98177551548845 14.007 > 23 24 N 0.73645262445571 0.25000000000000 0.71325246558628 14.007 > 24 25 N 0.76354737554429 0.75000000000000 0.21325246558628 14.007 > 25 26 N 0.85745617200125 0.75000000000000 0.48177551548845 14.007 > 26 27 N 0.89712779311848 0.75000000000000 0.96964365585847 14.007 > 27 28 N 0.99322967808659 0.25000000000000 0.27468101327516 14.007 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.652074889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.866325519999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.633525949999997 Atomic positions (fractional): *1 Hf 0.06931467284833 0.18750000000000 0.37649490079402 178.490 > 1 2 Hf 0.06931467284833 0.43750000000000 0.37649490079402 178.490 > 1 3 Hf 0.06931467284833 0.68750000000000 0.37649490079402 178.490 > 1 4 Hf 0.06931467284833 0.93750000000000 0.37649490079402 178.490 > 1 *5 Hf 0.10766957052203 0.18750000000000 0.90729343037784 178.490 > 2 6 Hf 0.10766957052203 0.43750000000000 0.90729343037784 178.490 > 2 7 Hf 0.10766957052203 0.68750000000000 0.90729343037784 178.490 > 2 8 Hf 0.10766957052203 0.93750000000000 0.90729343037784 178.490 > 2 *9 Hf 0.22854352245089 0.18750000000000 0.64813719667706 178.490 > 3 10 Hf 0.22854352245089 0.43750000000000 0.64813719667706 178.490 > 3 11 Hf 0.22854352245089 0.68750000000000 0.64813719667706 178.490 > 3 12 Hf 0.22854352245089 0.93750000000000 0.64813719667706 178.490 > 3 13 Hf 0.27145647754911 0.06250000000000 0.14813719667706 178.490 > 4 14 Hf 0.27145647754911 0.31250000000000 0.14813719667706 178.490 > 4 15 Hf 0.27145647754911 0.56250000000000 0.14813719667706 178.490 > 4 16 Hf 0.27145647754911 0.81250000000000 0.14813719667706 178.490 > 4 17 Hf 0.39233042947797 0.06250000000000 0.40729343037784 178.490 > 5 18 Hf 0.39233042947797 0.31250000000000 0.40729343037784 178.490 > 5 19 Hf 0.39233042947797 0.56250000000000 0.40729343037784 178.490 > 5 20 Hf 0.39233042947797 0.81250000000000 0.40729343037784 178.490 > 5 21 Hf 0.43068532715167 0.06250000000000 0.87649490079402 178.490 > 6 22 Hf 0.43068532715167 0.31250000000000 0.87649490079402 178.490 > 6 23 Hf 0.43068532715167 0.56250000000000 0.87649490079402 178.490 > 6 24 Hf 0.43068532715167 0.81250000000000 0.87649490079402 178.490 > 6 25 Hf 0.56931467284833 0.18750000000000 0.12350509920598 178.490 > 7 26 Hf 0.56931467284833 0.43750000000000 0.12350509920598 178.490 > 7 27 Hf 0.56931467284833 0.68750000000000 0.12350509920598 178.490 > 7 28 Hf 0.56931467284833 0.93750000000000 0.12350509920598 178.490 > 7 29 Hf 0.60766957052203 0.18750000000000 0.59270656962216 178.490 > 8 30 Hf 0.60766957052203 0.43750000000000 0.59270656962216 178.490 > 8 31 Hf 0.60766957052203 0.68750000000000 0.59270656962216 178.490 > 8 32 Hf 0.60766957052203 0.93750000000000 0.59270656962216 178.490 > 8 33 Hf 0.72854352245090 0.18750000000000 0.85186280332294 178.490 > 9 34 Hf 0.72854352245090 0.43750000000000 0.85186280332294 178.490 > 9 35 Hf 0.72854352245090 0.68750000000000 0.85186280332294 178.490 > 9 36 Hf 0.72854352245090 0.93750000000000 0.85186280332294 178.490 > 9 37 Hf 0.77145647754910 0.06250000000000 0.35186280332294 178.490 > 10 38 Hf 0.77145647754910 0.31250000000000 0.35186280332294 178.490 > 10 39 Hf 0.77145647754910 0.56250000000000 0.35186280332294 178.490 > 10 40 Hf 0.77145647754910 0.81250000000000 0.35186280332294 178.490 > 10 41 Hf 0.89233042947797 0.06250000000000 0.09270656962216 178.490 > 11 42 Hf 0.89233042947797 0.31250000000000 0.09270656962216 178.490 > 11 43 Hf 0.89233042947797 0.56250000000000 0.09270656962216 178.490 > 11 44 Hf 0.89233042947797 0.81250000000000 0.09270656962216 178.490 > 11 45 Hf 0.93068532715167 0.06250000000000 0.62350509920598 178.490 > 12 46 Hf 0.93068532715167 0.31250000000000 0.62350509920598 178.490 > 12 47 Hf 0.93068532715167 0.56250000000000 0.62350509920598 178.490 > 12 48 Hf 0.93068532715167 0.81250000000000 0.62350509920598 178.490 > 12 *49 N 0.00677032191341 0.18750000000000 0.72531898672484 14.007 > 13 50 N 0.00677032191341 0.43750000000000 0.72531898672484 14.007 > 13 51 N 0.00677032191341 0.68750000000000 0.72531898672484 14.007 > 13 52 N 0.00677032191341 0.93750000000000 0.72531898672484 14.007 > 13 *53 N 0.10287220688152 0.06250000000000 0.03035634414153 14.007 > 14 54 N 0.10287220688152 0.31250000000000 0.03035634414153 14.007 > 14 55 N 0.10287220688152 0.56250000000000 0.03035634414153 14.007 > 14 56 N 0.10287220688152 0.81250000000000 0.03035634414153 14.007 > 14 *57 N 0.14254382799875 0.06250000000000 0.51822448451155 14.007 > 15 58 N 0.14254382799875 0.31250000000000 0.51822448451155 14.007 > 15 59 N 0.14254382799875 0.56250000000000 0.51822448451155 14.007 > 15 60 N 0.14254382799875 0.81250000000000 0.51822448451155 14.007 > 15 *61 N 0.23645262445571 0.06250000000000 0.78674753441372 14.007 > 16 62 N 0.23645262445571 0.31250000000000 0.78674753441372 14.007 > 16 63 N 0.23645262445571 0.56250000000000 0.78674753441372 14.007 > 16 64 N 0.23645262445571 0.81250000000000 0.78674753441372 14.007 > 16 65 N 0.26354737554429 0.18750000000000 0.28674753441372 14.007 > 17 66 N 0.26354737554429 0.43750000000000 0.28674753441372 14.007 > 17 67 N 0.26354737554429 0.68750000000000 0.28674753441372 14.007 > 17 68 N 0.26354737554429 0.93750000000000 0.28674753441372 14.007 > 17 69 N 0.35745617200125 0.18750000000000 0.01822448451155 14.007 > 18 70 N 0.35745617200125 0.43750000000000 0.01822448451155 14.007 > 18 71 N 0.35745617200125 0.68750000000000 0.01822448451155 14.007 > 18 72 N 0.35745617200125 0.93750000000000 0.01822448451155 14.007 > 18 73 N 0.39712779311848 0.18750000000000 0.53035634414153 14.007 > 19 74 N 0.39712779311848 0.43750000000000 0.53035634414153 14.007 > 19 75 N 0.39712779311848 0.68750000000000 0.53035634414153 14.007 > 19 76 N 0.39712779311848 0.93750000000000 0.53035634414153 14.007 > 19 77 N 0.49322967808659 0.06250000000000 0.22531898672484 14.007 > 20 78 N 0.49322967808659 0.31250000000000 0.22531898672484 14.007 > 20 79 N 0.49322967808659 0.56250000000000 0.22531898672484 14.007 > 20 80 N 0.49322967808659 0.81250000000000 0.22531898672484 14.007 > 20 81 N 0.50677032191341 0.18750000000000 0.77468101327516 14.007 > 21 82 N 0.50677032191341 0.43750000000000 0.77468101327516 14.007 > 21 83 N 0.50677032191341 0.68750000000000 0.77468101327516 14.007 > 21 84 N 0.50677032191341 0.93750000000000 0.77468101327516 14.007 > 21 85 N 0.60287220688152 0.06250000000000 0.46964365585847 14.007 > 22 86 N 0.60287220688152 0.31250000000000 0.46964365585847 14.007 > 22 87 N 0.60287220688152 0.56250000000000 0.46964365585847 14.007 > 22 88 N 0.60287220688152 0.81250000000000 0.46964365585847 14.007 > 22 89 N 0.64254382799875 0.06250000000000 0.98177551548845 14.007 > 23 90 N 0.64254382799875 0.31250000000000 0.98177551548845 14.007 > 23 91 N 0.64254382799875 0.56250000000000 0.98177551548845 14.007 > 23 92 N 0.64254382799875 0.81250000000000 0.98177551548845 14.007 > 23 93 N 0.73645262445571 0.06250000000000 0.71325246558628 14.007 > 24 94 N 0.73645262445571 0.31250000000000 0.71325246558628 14.007 > 24 95 N 0.73645262445571 0.56250000000000 0.71325246558628 14.007 > 24 96 N 0.73645262445571 0.81250000000000 0.71325246558628 14.007 > 24 97 N 0.76354737554429 0.18750000000000 0.21325246558628 14.007 > 25 98 N 0.76354737554429 0.43750000000000 0.21325246558628 14.007 > 25 99 N 0.76354737554429 0.68750000000000 0.21325246558628 14.007 > 25 100 N 0.76354737554429 0.93750000000000 0.21325246558628 14.007 > 25 101 N 0.85745617200125 0.18750000000000 0.48177551548845 14.007 > 26 102 N 0.85745617200125 0.43750000000000 0.48177551548845 14.007 > 26 103 N 0.85745617200125 0.68750000000000 0.48177551548845 14.007 > 26 104 N 0.85745617200125 0.93750000000000 0.48177551548845 14.007 > 26 105 N 0.89712779311848 0.18750000000000 0.96964365585847 14.007 > 27 106 N 0.89712779311848 0.43750000000000 0.96964365585847 14.007 > 27 107 N 0.89712779311848 0.68750000000000 0.96964365585847 14.007 > 27 108 N 0.89712779311848 0.93750000000000 0.96964365585847 14.007 > 27 109 N 0.99322967808659 0.06250000000000 0.27468101327516 14.007 > 28 110 N 0.99322967808659 0.31250000000000 0.27468101327516 14.007 > 28 111 N 0.99322967808659 0.56250000000000 0.27468101327516 14.007 > 28 112 N 0.99322967808659 0.81250000000000 0.27468101327516 14.007 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3060366 0.0000000 0.0000000 0.0000000 10.3687948 0.0000000 0.0000000 0.0000000 10.2722107 -------------------------- Born effective charges -------------------------- 1 Hf 5.2084534 0.0000000 0.4095852 0.0000000 6.4910992 0.0000000 -0.0127765 0.0000000 4.5771756 2 Hf 4.5978255 0.0000000 -0.1850709 0.0000000 4.6052634 0.0000000 -0.2960059 0.0000000 5.7346178 3 Hf 4.9132236 0.0000000 -0.0100651 0.0000000 5.5525909 0.0000000 -0.5577207 0.0000000 5.7253085 4 Hf 4.9132236 0.0000000 0.0100651 0.0000000 5.5525909 0.0000000 0.5577207 0.0000000 5.7253085 5 Hf 4.5978255 0.0000000 0.1850709 0.0000000 4.6052634 0.0000000 0.2960059 0.0000000 5.7346178 6 Hf 5.2084534 0.0000000 -0.4095852 0.0000000 6.4910992 0.0000000 0.0127765 0.0000000 4.5771756 7 Hf 5.2084534 0.0000000 -0.4095852 0.0000000 6.4910992 0.0000000 0.0127765 0.0000000 4.5771756 8 Hf 4.5978255 0.0000000 0.1850709 0.0000000 4.6052634 0.0000000 0.2960059 0.0000000 5.7346178 9 Hf 4.9132236 0.0000000 0.0100651 0.0000000 5.5525909 0.0000000 0.5577207 0.0000000 5.7253085 10 Hf 4.9132236 0.0000000 -0.0100651 0.0000000 5.5525909 0.0000000 -0.5577207 0.0000000 5.7253085 11 Hf 4.5978255 0.0000000 -0.1850709 0.0000000 4.6052634 0.0000000 -0.2960059 0.0000000 5.7346178 12 Hf 5.2084534 0.0000000 0.4095852 0.0000000 6.4910992 0.0000000 -0.0127765 0.0000000 4.5771756 13 N -3.7147356 0.0000000 -0.5169020 0.0000000 -4.2688814 0.0000000 -0.7463486 0.0000000 -4.1651468 14 N -4.0954931 0.0000000 -0.4757547 0.0000000 -3.5238010 0.0000000 -0.2589208 0.0000000 -3.7320799 15 N -3.4938642 0.0000000 -0.5230664 0.0000000 -4.6791122 0.0000000 -0.2639856 0.0000000 -4.0117520 16 N -3.4154095 0.0000000 -0.4369561 0.0000000 -4.1771591 0.0000000 -0.5688677 0.0000000 -4.1281233 17 N -3.4154095 0.0000000 0.4369561 0.0000000 -4.1771591 0.0000000 0.5688677 0.0000000 -4.1281233 18 N -3.4938642 0.0000000 0.5230664 0.0000000 -4.6791122 0.0000000 0.2639856 0.0000000 -4.0117520 19 N -4.0954931 0.0000000 0.4757547 0.0000000 -3.5238010 0.0000000 0.2589208 0.0000000 -3.7320799 20 N -3.7147356 0.0000000 0.5169020 0.0000000 -4.2688814 0.0000000 0.7463486 0.0000000 -4.1651468 21 N -3.7147356 0.0000000 0.5169020 0.0000000 -4.2688814 0.0000000 0.7463486 0.0000000 -4.1651468 22 N -4.0954931 0.0000000 0.4757547 0.0000000 -3.5238010 0.0000000 0.2589208 0.0000000 -3.7320799 23 N -3.4938642 0.0000000 0.5230664 0.0000000 -4.6791122 0.0000000 0.2639856 0.0000000 -4.0117520 24 N -3.4154095 0.0000000 0.4369561 0.0000000 -4.1771591 0.0000000 0.5688677 0.0000000 -4.1281233 25 N -3.4154095 0.0000000 -0.4369561 0.0000000 -4.1771591 0.0000000 -0.5688677 0.0000000 -4.1281233 26 N -3.4938642 0.0000000 -0.5230664 0.0000000 -4.6791122 0.0000000 -0.2639856 0.0000000 -4.0117520 27 N -4.0954931 0.0000000 -0.4757547 0.0000000 -3.5238010 0.0000000 -0.2589208 0.0000000 -3.7320799 28 N -3.7147356 0.0000000 -0.5169020 0.0000000 -4.2688814 0.0000000 -0.7463486 0.0000000 -4.1651468 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.086 Solver_block: 200 / 480 - Time: 3.114 Solver_block: 300 / 480 - Time: 3.105 Solver_block: 400 / 480 - Time: 3.105 Solver_block: 480 / 480 - Time: 2.519 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.988 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:21:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:21:25]------------------------- 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.652074889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.216581379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.633525949999997 Atomic positions (fractional): 1 Hf 0.06931467284833 0.75000000000000 0.37649490079402 178.490 2 Hf 0.10766957052203 0.75000000000000 0.90729343037784 178.490 3 Hf 0.22854352245089 0.75000000000000 0.64813719667706 178.490 4 Hf 0.27145647754911 0.25000000000000 0.14813719667706 178.490 5 Hf 0.39233042947797 0.25000000000000 0.40729343037784 178.490 6 Hf 0.43068532715167 0.25000000000000 0.87649490079402 178.490 7 Hf 0.56931467284833 0.75000000000000 0.12350509920598 178.490 8 Hf 0.60766957052203 0.75000000000000 0.59270656962216 178.490 9 Hf 0.72854352245090 0.75000000000000 0.85186280332294 178.490 10 Hf 0.77145647754910 0.25000000000000 0.35186280332294 178.490 11 Hf 0.89233042947797 0.25000000000000 0.09270656962216 178.490 12 Hf 0.93068532715167 0.25000000000000 0.62350509920598 178.490 13 N 0.00677032191341 0.75000000000000 0.72531898672484 14.007 14 N 0.10287220688152 0.25000000000000 0.03035634414153 14.007 15 N 0.14254382799875 0.25000000000000 0.51822448451155 14.007 16 N 0.23645262445571 0.25000000000000 0.78674753441372 14.007 17 N 0.26354737554429 0.75000000000000 0.28674753441372 14.007 18 N 0.35745617200125 0.75000000000000 0.01822448451155 14.007 19 N 0.39712779311848 0.75000000000000 0.53035634414153 14.007 20 N 0.49322967808659 0.25000000000000 0.22531898672484 14.007 21 N 0.50677032191341 0.75000000000000 0.77468101327516 14.007 22 N 0.60287220688152 0.25000000000000 0.46964365585847 14.007 23 N 0.64254382799875 0.25000000000000 0.98177551548845 14.007 24 N 0.73645262445571 0.25000000000000 0.71325246558628 14.007 25 N 0.76354737554429 0.75000000000000 0.21325246558628 14.007 26 N 0.85745617200125 0.75000000000000 0.48177551548845 14.007 27 N 0.89712779311848 0.75000000000000 0.96964365585847 14.007 28 N 0.99322967808659 0.25000000000000 0.27468101327516 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.652074889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.866325519999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.633525949999997 Atomic positions (fractional): 1 Hf 0.06931467284833 0.18750000000000 0.37649490079402 178.490 > 1 2 Hf 0.06931467284833 0.43750000000000 0.37649490079402 178.490 > 1 3 Hf 0.06931467284833 0.68750000000000 0.37649490079402 178.490 > 1 4 Hf 0.06931467284833 0.93750000000000 0.37649490079402 178.490 > 1 5 Hf 0.10766957052203 0.18750000000000 0.90729343037784 178.490 > 5 6 Hf 0.10766957052203 0.43750000000000 0.90729343037784 178.490 > 5 7 Hf 0.10766957052203 0.68750000000000 0.90729343037784 178.490 > 5 8 Hf 0.10766957052203 0.93750000000000 0.90729343037784 178.490 > 5 9 Hf 0.22854352245089 0.18750000000000 0.64813719667706 178.490 > 9 10 Hf 0.22854352245089 0.43750000000000 0.64813719667706 178.490 > 9 11 Hf 0.22854352245089 0.68750000000000 0.64813719667706 178.490 > 9 12 Hf 0.22854352245089 0.93750000000000 0.64813719667706 178.490 > 9 13 Hf 0.27145647754911 0.06250000000000 0.14813719667706 178.490 > 13 14 Hf 0.27145647754911 0.31250000000000 0.14813719667706 178.490 > 13 15 Hf 0.27145647754911 0.56250000000000 0.14813719667706 178.490 > 13 16 Hf 0.27145647754911 0.81250000000000 0.14813719667706 178.490 > 13 17 Hf 0.39233042947797 0.06250000000000 0.40729343037784 178.490 > 17 18 Hf 0.39233042947797 0.31250000000000 0.40729343037784 178.490 > 17 19 Hf 0.39233042947797 0.56250000000000 0.40729343037784 178.490 > 17 20 Hf 0.39233042947797 0.81250000000000 0.40729343037784 178.490 > 17 21 Hf 0.43068532715167 0.06250000000000 0.87649490079402 178.490 > 21 22 Hf 0.43068532715167 0.31250000000000 0.87649490079402 178.490 > 21 23 Hf 0.43068532715167 0.56250000000000 0.87649490079402 178.490 > 21 24 Hf 0.43068532715167 0.81250000000000 0.87649490079402 178.490 > 21 25 Hf 0.56931467284833 0.18750000000000 0.12350509920598 178.490 > 25 26 Hf 0.56931467284833 0.43750000000000 0.12350509920598 178.490 > 25 27 Hf 0.56931467284833 0.68750000000000 0.12350509920598 178.490 > 25 28 Hf 0.56931467284833 0.93750000000000 0.12350509920598 178.490 > 25 29 Hf 0.60766957052203 0.18750000000000 0.59270656962216 178.490 > 29 30 Hf 0.60766957052203 0.43750000000000 0.59270656962216 178.490 > 29 31 Hf 0.60766957052203 0.68750000000000 0.59270656962216 178.490 > 29 32 Hf 0.60766957052203 0.93750000000000 0.59270656962216 178.490 > 29 33 Hf 0.72854352245090 0.18750000000000 0.85186280332294 178.490 > 33 34 Hf 0.72854352245090 0.43750000000000 0.85186280332294 178.490 > 33 35 Hf 0.72854352245090 0.68750000000000 0.85186280332294 178.490 > 33 36 Hf 0.72854352245090 0.93750000000000 0.85186280332294 178.490 > 33 37 Hf 0.77145647754910 0.06250000000000 0.35186280332294 178.490 > 37 38 Hf 0.77145647754910 0.31250000000000 0.35186280332294 178.490 > 37 39 Hf 0.77145647754910 0.56250000000000 0.35186280332294 178.490 > 37 40 Hf 0.77145647754910 0.81250000000000 0.35186280332294 178.490 > 37 41 Hf 0.89233042947797 0.06250000000000 0.09270656962216 178.490 > 41 42 Hf 0.89233042947797 0.31250000000000 0.09270656962216 178.490 > 41 43 Hf 0.89233042947797 0.56250000000000 0.09270656962216 178.490 > 41 44 Hf 0.89233042947797 0.81250000000000 0.09270656962216 178.490 > 41 45 Hf 0.93068532715167 0.06250000000000 0.62350509920598 178.490 > 45 46 Hf 0.93068532715167 0.31250000000000 0.62350509920598 178.490 > 45 47 Hf 0.93068532715167 0.56250000000000 0.62350509920598 178.490 > 45 48 Hf 0.93068532715167 0.81250000000000 0.62350509920598 178.490 > 45 49 N 0.00677032191341 0.18750000000000 0.72531898672484 14.007 > 49 50 N 0.00677032191341 0.43750000000000 0.72531898672484 14.007 > 49 51 N 0.00677032191341 0.68750000000000 0.72531898672484 14.007 > 49 52 N 0.00677032191341 0.93750000000000 0.72531898672484 14.007 > 49 53 N 0.10287220688152 0.06250000000000 0.03035634414153 14.007 > 53 54 N 0.10287220688152 0.31250000000000 0.03035634414153 14.007 > 53 55 N 0.10287220688152 0.56250000000000 0.03035634414153 14.007 > 53 56 N 0.10287220688152 0.81250000000000 0.03035634414153 14.007 > 53 57 N 0.14254382799875 0.06250000000000 0.51822448451155 14.007 > 57 58 N 0.14254382799875 0.31250000000000 0.51822448451155 14.007 > 57 59 N 0.14254382799875 0.56250000000000 0.51822448451155 14.007 > 57 60 N 0.14254382799875 0.81250000000000 0.51822448451155 14.007 > 57 61 N 0.23645262445571 0.06250000000000 0.78674753441372 14.007 > 61 62 N 0.23645262445571 0.31250000000000 0.78674753441372 14.007 > 61 63 N 0.23645262445571 0.56250000000000 0.78674753441372 14.007 > 61 64 N 0.23645262445571 0.81250000000000 0.78674753441372 14.007 > 61 65 N 0.26354737554429 0.18750000000000 0.28674753441372 14.007 > 65 66 N 0.26354737554429 0.43750000000000 0.28674753441372 14.007 > 65 67 N 0.26354737554429 0.68750000000000 0.28674753441372 14.007 > 65 68 N 0.26354737554429 0.93750000000000 0.28674753441372 14.007 > 65 69 N 0.35745617200125 0.18750000000000 0.01822448451155 14.007 > 69 70 N 0.35745617200125 0.43750000000000 0.01822448451155 14.007 > 69 71 N 0.35745617200125 0.68750000000000 0.01822448451155 14.007 > 69 72 N 0.35745617200125 0.93750000000000 0.01822448451155 14.007 > 69 73 N 0.39712779311848 0.18750000000000 0.53035634414153 14.007 > 73 74 N 0.39712779311848 0.43750000000000 0.53035634414153 14.007 > 73 75 N 0.39712779311848 0.68750000000000 0.53035634414153 14.007 > 73 76 N 0.39712779311848 0.93750000000000 0.53035634414153 14.007 > 73 77 N 0.49322967808659 0.06250000000000 0.22531898672484 14.007 > 77 78 N 0.49322967808659 0.31250000000000 0.22531898672484 14.007 > 77 79 N 0.49322967808659 0.56250000000000 0.22531898672484 14.007 > 77 80 N 0.49322967808659 0.81250000000000 0.22531898672484 14.007 > 77 81 N 0.50677032191341 0.18750000000000 0.77468101327516 14.007 > 81 82 N 0.50677032191341 0.43750000000000 0.77468101327516 14.007 > 81 83 N 0.50677032191341 0.68750000000000 0.77468101327516 14.007 > 81 84 N 0.50677032191341 0.93750000000000 0.77468101327516 14.007 > 81 85 N 0.60287220688152 0.06250000000000 0.46964365585847 14.007 > 85 86 N 0.60287220688152 0.31250000000000 0.46964365585847 14.007 > 85 87 N 0.60287220688152 0.56250000000000 0.46964365585847 14.007 > 85 88 N 0.60287220688152 0.81250000000000 0.46964365585847 14.007 > 85 89 N 0.64254382799875 0.06250000000000 0.98177551548845 14.007 > 89 90 N 0.64254382799875 0.31250000000000 0.98177551548845 14.007 > 89 91 N 0.64254382799875 0.56250000000000 0.98177551548845 14.007 > 89 92 N 0.64254382799875 0.81250000000000 0.98177551548845 14.007 > 89 93 N 0.73645262445571 0.06250000000000 0.71325246558628 14.007 > 93 94 N 0.73645262445571 0.31250000000000 0.71325246558628 14.007 > 93 95 N 0.73645262445571 0.56250000000000 0.71325246558628 14.007 > 93 96 N 0.73645262445571 0.81250000000000 0.71325246558628 14.007 > 93 97 N 0.76354737554429 0.18750000000000 0.21325246558628 14.007 > 97 98 N 0.76354737554429 0.43750000000000 0.21325246558628 14.007 > 97 99 N 0.76354737554429 0.68750000000000 0.21325246558628 14.007 > 97 100 N 0.76354737554429 0.93750000000000 0.21325246558628 14.007 > 97 101 N 0.85745617200125 0.18750000000000 0.48177551548845 14.007 > 101 102 N 0.85745617200125 0.43750000000000 0.48177551548845 14.007 > 101 103 N 0.85745617200125 0.68750000000000 0.48177551548845 14.007 > 101 104 N 0.85745617200125 0.93750000000000 0.48177551548845 14.007 > 101 105 N 0.89712779311848 0.18750000000000 0.96964365585847 14.007 > 105 106 N 0.89712779311848 0.43750000000000 0.96964365585847 14.007 > 105 107 N 0.89712779311848 0.68750000000000 0.96964365585847 14.007 > 105 108 N 0.89712779311848 0.93750000000000 0.96964365585847 14.007 > 105 109 N 0.99322967808659 0.06250000000000 0.27468101327516 14.007 > 109 110 N 0.99322967808659 0.31250000000000 0.27468101327516 14.007 > 109 111 N 0.99322967808659 0.56250000000000 0.27468101327516 14.007 > 109 112 N 0.99322967808659 0.81250000000000 0.27468101327516 14.007 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3060366 0.0000000 0.0000000 0.0000000 10.3687948 0.0000000 0.0000000 0.0000000 10.2722107 -------------------------- Born effective charges -------------------------- 1 Hf 5.2084534 0.0000000 0.4095852 0.0000000 6.4910992 0.0000000 -0.0127765 0.0000000 4.5771756 2 Hf 4.5978255 0.0000000 -0.1850709 0.0000000 4.6052634 0.0000000 -0.2960059 0.0000000 5.7346178 3 Hf 4.9132236 0.0000000 -0.0100651 0.0000000 5.5525909 0.0000000 -0.5577207 0.0000000 5.7253085 4 Hf 4.9132236 0.0000000 0.0100651 0.0000000 5.5525909 0.0000000 0.5577207 0.0000000 5.7253085 5 Hf 4.5978255 0.0000000 0.1850709 0.0000000 4.6052634 0.0000000 0.2960059 0.0000000 5.7346178 6 Hf 5.2084534 0.0000000 -0.4095852 0.0000000 6.4910992 0.0000000 0.0127765 0.0000000 4.5771756 7 Hf 5.2084534 0.0000000 -0.4095852 0.0000000 6.4910992 0.0000000 0.0127765 0.0000000 4.5771756 8 Hf 4.5978255 0.0000000 0.1850709 0.0000000 4.6052634 0.0000000 0.2960059 0.0000000 5.7346178 9 Hf 4.9132236 0.0000000 0.0100651 0.0000000 5.5525909 0.0000000 0.5577207 0.0000000 5.7253085 10 Hf 4.9132236 0.0000000 -0.0100651 0.0000000 5.5525909 0.0000000 -0.5577207 0.0000000 5.7253085 11 Hf 4.5978255 0.0000000 -0.1850709 0.0000000 4.6052634 0.0000000 -0.2960059 0.0000000 5.7346178 12 Hf 5.2084534 0.0000000 0.4095852 0.0000000 6.4910992 0.0000000 -0.0127765 0.0000000 4.5771756 13 N -3.7147356 0.0000000 -0.5169020 0.0000000 -4.2688814 0.0000000 -0.7463486 0.0000000 -4.1651468 14 N -4.0954931 0.0000000 -0.4757547 0.0000000 -3.5238010 0.0000000 -0.2589208 0.0000000 -3.7320799 15 N -3.4938642 0.0000000 -0.5230664 0.0000000 -4.6791122 0.0000000 -0.2639856 0.0000000 -4.0117520 16 N -3.4154095 0.0000000 -0.4369561 0.0000000 -4.1771591 0.0000000 -0.5688677 0.0000000 -4.1281233 17 N -3.4154095 0.0000000 0.4369561 0.0000000 -4.1771591 0.0000000 0.5688677 0.0000000 -4.1281233 18 N -3.4938642 0.0000000 0.5230664 0.0000000 -4.6791122 0.0000000 0.2639856 0.0000000 -4.0117520 19 N -4.0954931 0.0000000 0.4757547 0.0000000 -3.5238010 0.0000000 0.2589208 0.0000000 -3.7320799 20 N -3.7147356 0.0000000 0.5169020 0.0000000 -4.2688814 0.0000000 0.7463486 0.0000000 -4.1651468 21 N -3.7147356 0.0000000 0.5169020 0.0000000 -4.2688814 0.0000000 0.7463486 0.0000000 -4.1651468 22 N -4.0954931 0.0000000 0.4757547 0.0000000 -3.5238010 0.0000000 0.2589208 0.0000000 -3.7320799 23 N -3.4938642 0.0000000 0.5230664 0.0000000 -4.6791122 0.0000000 0.2639856 0.0000000 -4.0117520 24 N -3.4154095 0.0000000 0.4369561 0.0000000 -4.1771591 0.0000000 0.5688677 0.0000000 -4.1281233 25 N -3.4154095 0.0000000 -0.4369561 0.0000000 -4.1771591 0.0000000 -0.5688677 0.0000000 -4.1281233 26 N -3.4938642 0.0000000 -0.5230664 0.0000000 -4.6791122 0.0000000 -0.2639856 0.0000000 -4.0117520 27 N -4.0954931 0.0000000 -0.4757547 0.0000000 -3.5238010 0.0000000 -0.2589208 0.0000000 -3.7320799 28 N -3.7147356 0.0000000 -0.5169020 0.0000000 -4.2688814 0.0000000 -0.7463486 0.0000000 -4.1651468 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:21:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:21:50]------------------------- 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.652074889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.216581379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.633525949999997 Atomic positions (fractional): 1 Hf 0.06931467284833 0.75000000000000 0.37649490079402 178.490 2 Hf 0.10766957052203 0.75000000000000 0.90729343037784 178.490 3 Hf 0.22854352245089 0.75000000000000 0.64813719667706 178.490 4 Hf 0.27145647754911 0.25000000000000 0.14813719667706 178.490 5 Hf 0.39233042947797 0.25000000000000 0.40729343037784 178.490 6 Hf 0.43068532715167 0.25000000000000 0.87649490079402 178.490 7 Hf 0.56931467284833 0.75000000000000 0.12350509920598 178.490 8 Hf 0.60766957052203 0.75000000000000 0.59270656962216 178.490 9 Hf 0.72854352245090 0.75000000000000 0.85186280332294 178.490 10 Hf 0.77145647754910 0.25000000000000 0.35186280332294 178.490 11 Hf 0.89233042947797 0.25000000000000 0.09270656962216 178.490 12 Hf 0.93068532715167 0.25000000000000 0.62350509920598 178.490 13 N 0.00677032191341 0.75000000000000 0.72531898672484 14.007 14 N 0.10287220688152 0.25000000000000 0.03035634414153 14.007 15 N 0.14254382799875 0.25000000000000 0.51822448451155 14.007 16 N 0.23645262445571 0.25000000000000 0.78674753441372 14.007 17 N 0.26354737554429 0.75000000000000 0.28674753441372 14.007 18 N 0.35745617200125 0.75000000000000 0.01822448451155 14.007 19 N 0.39712779311848 0.75000000000000 0.53035634414153 14.007 20 N 0.49322967808659 0.25000000000000 0.22531898672484 14.007 21 N 0.50677032191341 0.75000000000000 0.77468101327516 14.007 22 N 0.60287220688152 0.25000000000000 0.46964365585847 14.007 23 N 0.64254382799875 0.25000000000000 0.98177551548845 14.007 24 N 0.73645262445571 0.25000000000000 0.71325246558628 14.007 25 N 0.76354737554429 0.75000000000000 0.21325246558628 14.007 26 N 0.85745617200125 0.75000000000000 0.48177551548845 14.007 27 N 0.89712779311848 0.75000000000000 0.96964365585847 14.007 28 N 0.99322967808659 0.25000000000000 0.27468101327516 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.652074889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.866325519999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.633525949999997 Atomic positions (fractional): 1 Hf 0.06931467284833 0.18750000000000 0.37649490079402 178.490 > 1 2 Hf 0.06931467284833 0.43750000000000 0.37649490079402 178.490 > 1 3 Hf 0.06931467284833 0.68750000000000 0.37649490079402 178.490 > 1 4 Hf 0.06931467284833 0.93750000000000 0.37649490079402 178.490 > 1 5 Hf 0.10766957052203 0.18750000000000 0.90729343037784 178.490 > 5 6 Hf 0.10766957052203 0.43750000000000 0.90729343037784 178.490 > 5 7 Hf 0.10766957052203 0.68750000000000 0.90729343037784 178.490 > 5 8 Hf 0.10766957052203 0.93750000000000 0.90729343037784 178.490 > 5 9 Hf 0.22854352245089 0.18750000000000 0.64813719667706 178.490 > 9 10 Hf 0.22854352245089 0.43750000000000 0.64813719667706 178.490 > 9 11 Hf 0.22854352245089 0.68750000000000 0.64813719667706 178.490 > 9 12 Hf 0.22854352245089 0.93750000000000 0.64813719667706 178.490 > 9 13 Hf 0.27145647754911 0.06250000000000 0.14813719667706 178.490 > 13 14 Hf 0.27145647754911 0.31250000000000 0.14813719667706 178.490 > 13 15 Hf 0.27145647754911 0.56250000000000 0.14813719667706 178.490 > 13 16 Hf 0.27145647754911 0.81250000000000 0.14813719667706 178.490 > 13 17 Hf 0.39233042947797 0.06250000000000 0.40729343037784 178.490 > 17 18 Hf 0.39233042947797 0.31250000000000 0.40729343037784 178.490 > 17 19 Hf 0.39233042947797 0.56250000000000 0.40729343037784 178.490 > 17 20 Hf 0.39233042947797 0.81250000000000 0.40729343037784 178.490 > 17 21 Hf 0.43068532715167 0.06250000000000 0.87649490079402 178.490 > 21 22 Hf 0.43068532715167 0.31250000000000 0.87649490079402 178.490 > 21 23 Hf 0.43068532715167 0.56250000000000 0.87649490079402 178.490 > 21 24 Hf 0.43068532715167 0.81250000000000 0.87649490079402 178.490 > 21 25 Hf 0.56931467284833 0.18750000000000 0.12350509920598 178.490 > 25 26 Hf 0.56931467284833 0.43750000000000 0.12350509920598 178.490 > 25 27 Hf 0.56931467284833 0.68750000000000 0.12350509920598 178.490 > 25 28 Hf 0.56931467284833 0.93750000000000 0.12350509920598 178.490 > 25 29 Hf 0.60766957052203 0.18750000000000 0.59270656962216 178.490 > 29 30 Hf 0.60766957052203 0.43750000000000 0.59270656962216 178.490 > 29 31 Hf 0.60766957052203 0.68750000000000 0.59270656962216 178.490 > 29 32 Hf 0.60766957052203 0.93750000000000 0.59270656962216 178.490 > 29 33 Hf 0.72854352245090 0.18750000000000 0.85186280332294 178.490 > 33 34 Hf 0.72854352245090 0.43750000000000 0.85186280332294 178.490 > 33 35 Hf 0.72854352245090 0.68750000000000 0.85186280332294 178.490 > 33 36 Hf 0.72854352245090 0.93750000000000 0.85186280332294 178.490 > 33 37 Hf 0.77145647754910 0.06250000000000 0.35186280332294 178.490 > 37 38 Hf 0.77145647754910 0.31250000000000 0.35186280332294 178.490 > 37 39 Hf 0.77145647754910 0.56250000000000 0.35186280332294 178.490 > 37 40 Hf 0.77145647754910 0.81250000000000 0.35186280332294 178.490 > 37 41 Hf 0.89233042947797 0.06250000000000 0.09270656962216 178.490 > 41 42 Hf 0.89233042947797 0.31250000000000 0.09270656962216 178.490 > 41 43 Hf 0.89233042947797 0.56250000000000 0.09270656962216 178.490 > 41 44 Hf 0.89233042947797 0.81250000000000 0.09270656962216 178.490 > 41 45 Hf 0.93068532715167 0.06250000000000 0.62350509920598 178.490 > 45 46 Hf 0.93068532715167 0.31250000000000 0.62350509920598 178.490 > 45 47 Hf 0.93068532715167 0.56250000000000 0.62350509920598 178.490 > 45 48 Hf 0.93068532715167 0.81250000000000 0.62350509920598 178.490 > 45 49 N 0.00677032191341 0.18750000000000 0.72531898672484 14.007 > 49 50 N 0.00677032191341 0.43750000000000 0.72531898672484 14.007 > 49 51 N 0.00677032191341 0.68750000000000 0.72531898672484 14.007 > 49 52 N 0.00677032191341 0.93750000000000 0.72531898672484 14.007 > 49 53 N 0.10287220688152 0.06250000000000 0.03035634414153 14.007 > 53 54 N 0.10287220688152 0.31250000000000 0.03035634414153 14.007 > 53 55 N 0.10287220688152 0.56250000000000 0.03035634414153 14.007 > 53 56 N 0.10287220688152 0.81250000000000 0.03035634414153 14.007 > 53 57 N 0.14254382799875 0.06250000000000 0.51822448451155 14.007 > 57 58 N 0.14254382799875 0.31250000000000 0.51822448451155 14.007 > 57 59 N 0.14254382799875 0.56250000000000 0.51822448451155 14.007 > 57 60 N 0.14254382799875 0.81250000000000 0.51822448451155 14.007 > 57 61 N 0.23645262445571 0.06250000000000 0.78674753441372 14.007 > 61 62 N 0.23645262445571 0.31250000000000 0.78674753441372 14.007 > 61 63 N 0.23645262445571 0.56250000000000 0.78674753441372 14.007 > 61 64 N 0.23645262445571 0.81250000000000 0.78674753441372 14.007 > 61 65 N 0.26354737554429 0.18750000000000 0.28674753441372 14.007 > 65 66 N 0.26354737554429 0.43750000000000 0.28674753441372 14.007 > 65 67 N 0.26354737554429 0.68750000000000 0.28674753441372 14.007 > 65 68 N 0.26354737554429 0.93750000000000 0.28674753441372 14.007 > 65 69 N 0.35745617200125 0.18750000000000 0.01822448451155 14.007 > 69 70 N 0.35745617200125 0.43750000000000 0.01822448451155 14.007 > 69 71 N 0.35745617200125 0.68750000000000 0.01822448451155 14.007 > 69 72 N 0.35745617200125 0.93750000000000 0.01822448451155 14.007 > 69 73 N 0.39712779311848 0.18750000000000 0.53035634414153 14.007 > 73 74 N 0.39712779311848 0.43750000000000 0.53035634414153 14.007 > 73 75 N 0.39712779311848 0.68750000000000 0.53035634414153 14.007 > 73 76 N 0.39712779311848 0.93750000000000 0.53035634414153 14.007 > 73 77 N 0.49322967808659 0.06250000000000 0.22531898672484 14.007 > 77 78 N 0.49322967808659 0.31250000000000 0.22531898672484 14.007 > 77 79 N 0.49322967808659 0.56250000000000 0.22531898672484 14.007 > 77 80 N 0.49322967808659 0.81250000000000 0.22531898672484 14.007 > 77 81 N 0.50677032191341 0.18750000000000 0.77468101327516 14.007 > 81 82 N 0.50677032191341 0.43750000000000 0.77468101327516 14.007 > 81 83 N 0.50677032191341 0.68750000000000 0.77468101327516 14.007 > 81 84 N 0.50677032191341 0.93750000000000 0.77468101327516 14.007 > 81 85 N 0.60287220688152 0.06250000000000 0.46964365585847 14.007 > 85 86 N 0.60287220688152 0.31250000000000 0.46964365585847 14.007 > 85 87 N 0.60287220688152 0.56250000000000 0.46964365585847 14.007 > 85 88 N 0.60287220688152 0.81250000000000 0.46964365585847 14.007 > 85 89 N 0.64254382799875 0.06250000000000 0.98177551548845 14.007 > 89 90 N 0.64254382799875 0.31250000000000 0.98177551548845 14.007 > 89 91 N 0.64254382799875 0.56250000000000 0.98177551548845 14.007 > 89 92 N 0.64254382799875 0.81250000000000 0.98177551548845 14.007 > 89 93 N 0.73645262445571 0.06250000000000 0.71325246558628 14.007 > 93 94 N 0.73645262445571 0.31250000000000 0.71325246558628 14.007 > 93 95 N 0.73645262445571 0.56250000000000 0.71325246558628 14.007 > 93 96 N 0.73645262445571 0.81250000000000 0.71325246558628 14.007 > 93 97 N 0.76354737554429 0.18750000000000 0.21325246558628 14.007 > 97 98 N 0.76354737554429 0.43750000000000 0.21325246558628 14.007 > 97 99 N 0.76354737554429 0.68750000000000 0.21325246558628 14.007 > 97 100 N 0.76354737554429 0.93750000000000 0.21325246558628 14.007 > 97 101 N 0.85745617200125 0.18750000000000 0.48177551548845 14.007 > 101 102 N 0.85745617200125 0.43750000000000 0.48177551548845 14.007 > 101 103 N 0.85745617200125 0.68750000000000 0.48177551548845 14.007 > 101 104 N 0.85745617200125 0.93750000000000 0.48177551548845 14.007 > 101 105 N 0.89712779311848 0.18750000000000 0.96964365585847 14.007 > 105 106 N 0.89712779311848 0.43750000000000 0.96964365585847 14.007 > 105 107 N 0.89712779311848 0.68750000000000 0.96964365585847 14.007 > 105 108 N 0.89712779311848 0.93750000000000 0.96964365585847 14.007 > 105 109 N 0.99322967808659 0.06250000000000 0.27468101327516 14.007 > 109 110 N 0.99322967808659 0.31250000000000 0.27468101327516 14.007 > 109 111 N 0.99322967808659 0.56250000000000 0.27468101327516 14.007 > 109 112 N 0.99322967808659 0.81250000000000 0.27468101327516 14.007 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.3060366 0.0000000 0.0000000 0.0000000 10.3687948 0.0000000 0.0000000 0.0000000 10.2722107 -------------------------- Born effective charges -------------------------- 1 Hf 5.2084534 0.0000000 0.4095852 0.0000000 6.4910992 0.0000000 -0.0127765 0.0000000 4.5771756 2 Hf 4.5978255 0.0000000 -0.1850709 0.0000000 4.6052634 0.0000000 -0.2960059 0.0000000 5.7346178 3 Hf 4.9132236 0.0000000 -0.0100651 0.0000000 5.5525909 0.0000000 -0.5577207 0.0000000 5.7253085 4 Hf 4.9132236 0.0000000 0.0100651 0.0000000 5.5525909 0.0000000 0.5577207 0.0000000 5.7253085 5 Hf 4.5978255 0.0000000 0.1850709 0.0000000 4.6052634 0.0000000 0.2960059 0.0000000 5.7346178 6 Hf 5.2084534 0.0000000 -0.4095852 0.0000000 6.4910992 0.0000000 0.0127765 0.0000000 4.5771756 7 Hf 5.2084534 0.0000000 -0.4095852 0.0000000 6.4910992 0.0000000 0.0127765 0.0000000 4.5771756 8 Hf 4.5978255 0.0000000 0.1850709 0.0000000 4.6052634 0.0000000 0.2960059 0.0000000 5.7346178 9 Hf 4.9132236 0.0000000 0.0100651 0.0000000 5.5525909 0.0000000 0.5577207 0.0000000 5.7253085 10 Hf 4.9132236 0.0000000 -0.0100651 0.0000000 5.5525909 0.0000000 -0.5577207 0.0000000 5.7253085 11 Hf 4.5978255 0.0000000 -0.1850709 0.0000000 4.6052634 0.0000000 -0.2960059 0.0000000 5.7346178 12 Hf 5.2084534 0.0000000 0.4095852 0.0000000 6.4910992 0.0000000 -0.0127765 0.0000000 4.5771756 13 N -3.7147356 0.0000000 -0.5169020 0.0000000 -4.2688814 0.0000000 -0.7463486 0.0000000 -4.1651468 14 N -4.0954931 0.0000000 -0.4757547 0.0000000 -3.5238010 0.0000000 -0.2589208 0.0000000 -3.7320799 15 N -3.4938642 0.0000000 -0.5230664 0.0000000 -4.6791122 0.0000000 -0.2639856 0.0000000 -4.0117520 16 N -3.4154095 0.0000000 -0.4369561 0.0000000 -4.1771591 0.0000000 -0.5688677 0.0000000 -4.1281233 17 N -3.4154095 0.0000000 0.4369561 0.0000000 -4.1771591 0.0000000 0.5688677 0.0000000 -4.1281233 18 N -3.4938642 0.0000000 0.5230664 0.0000000 -4.6791122 0.0000000 0.2639856 0.0000000 -4.0117520 19 N -4.0954931 0.0000000 0.4757547 0.0000000 -3.5238010 0.0000000 0.2589208 0.0000000 -3.7320799 20 N -3.7147356 0.0000000 0.5169020 0.0000000 -4.2688814 0.0000000 0.7463486 0.0000000 -4.1651468 21 N -3.7147356 0.0000000 0.5169020 0.0000000 -4.2688814 0.0000000 0.7463486 0.0000000 -4.1651468 22 N -4.0954931 0.0000000 0.4757547 0.0000000 -3.5238010 0.0000000 0.2589208 0.0000000 -3.7320799 23 N -3.4938642 0.0000000 0.5230664 0.0000000 -4.6791122 0.0000000 0.2639856 0.0000000 -4.0117520 24 N -3.4154095 0.0000000 0.4369561 0.0000000 -4.1771591 0.0000000 0.5688677 0.0000000 -4.1281233 25 N -3.4154095 0.0000000 -0.4369561 0.0000000 -4.1771591 0.0000000 -0.5688677 0.0000000 -4.1281233 26 N -3.4938642 0.0000000 -0.5230664 0.0000000 -4.6791122 0.0000000 -0.2639856 0.0000000 -4.0117520 27 N -4.0954931 0.0000000 -0.4757547 0.0000000 -3.5238010 0.0000000 -0.2589208 0.0000000 -3.7320799 28 N -3.7147356 0.0000000 -0.5169020 0.0000000 -4.2688814 0.0000000 -0.7463486 0.0000000 -4.1651468 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 16 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 289, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/81) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.574 ( 0.000 0.000 0.000) 0.000 1.699 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 9.069 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 10.079 ( 0.000 0.000 0.000) 0.000 10.655 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 10.884 ( 0.000 0.000 0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 12.269 ( 0.000 0.000 0.000) 0.000 12.749 ( 0.000 0.000 0.000) 0.000 12.891 ( 0.000 0.000 0.000) 0.000 13.186 ( 0.000 0.000 0.000) 0.000 13.266 ( 0.000 0.000 0.000) 0.000 13.675 ( 0.000 0.000 0.000) 0.000 13.764 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 0.000) 0.000 13.804 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 14.630 ( 0.000 0.000 0.000) 0.000 15.238 ( 0.000 0.000 0.000) 0.000 15.685 ( 0.000 0.000 0.000) 0.000 16.098 ( 0.000 0.000 0.000) 0.000 16.110 ( 0.000 0.000 0.000) 0.000 16.322 ( 0.000 0.000 0.000) 0.000 16.529 ( 0.000 0.000 0.000) 0.000 16.838 ( 0.000 0.000 0.000) 0.000 17.082 ( 0.000 0.000 0.000) 0.000 17.301 ( 0.000 0.000 0.000) 0.000 17.516 ( 0.000 0.000 0.000) 0.000 17.940 ( 0.000 0.000 0.000) 0.000 18.005 ( 0.000 0.000 0.000) 0.000 18.072 ( 0.000 0.000 0.000) 0.000 18.696 ( 0.000 0.000 0.000) 0.000 18.729 ( 0.000 0.000 0.000) 0.000 19.508 ( 0.000 0.000 0.000) 0.000 19.839 ( 0.000 0.000 0.000) 0.000 20.076 ( 0.000 0.000 0.000) 0.000 20.956 ( 0.000 0.000 0.000) 0.000 21.245 ( 0.000 0.000 0.000) 0.000 22.001 ( 0.000 0.000 0.000) 0.000 22.036 ( 0.000 0.000 0.000) 0.000 22.277 ( 0.000 0.000 0.000) 0.000 22.291 ( 0.000 0.000 0.000) 0.000 22.972 ( 0.000 0.000 0.000) 0.000 23.882 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/81) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 30.954 0.000 0.000) 30.954 0.681 ( 31.011 0.000 0.000) 31.011 0.990 ( 45.880 0.000 0.000) 45.880 1.625 ( 4.646 0.000 0.000) 4.646 1.704 ( -0.296 0.000 0.000) 0.296 2.049 ( 8.869 0.000 0.000) 8.869 2.087 ( -9.009 0.000 0.000) 9.009 2.222 ( -0.915 0.000 0.000) 0.915 2.286 ( -2.230 0.000 0.000) 2.230 2.466 ( -22.734 0.000 0.000) 22.734 2.562 ( 3.446 0.000 0.000) 3.446 2.656 ( 2.881 0.000 0.000) 2.881 2.829 ( -1.339 0.000 0.000) 1.339 2.863 ( 1.773 0.000 0.000) 1.773 2.910 ( -2.299 0.000 0.000) 2.299 2.946 ( -0.376 0.000 0.000) 0.376 3.008 ( -5.169 0.000 0.000) 5.169 3.141 ( -4.006 0.000 0.000) 4.006 3.196 ( -7.398 0.000 0.000) 7.398 3.537 ( 19.064 0.000 0.000) 19.064 3.603 ( -0.330 0.000 0.000) 0.330 3.749 ( 0.189 0.000 0.000) 0.189 3.797 ( -0.866 0.000 0.000) 0.866 3.877 ( -15.575 0.000 0.000) 15.575 4.577 ( -9.498 0.000 0.000) 9.498 4.588 ( -0.475 0.000 0.000) 0.475 4.965 ( 4.329 0.000 0.000) 4.329 5.049 ( -2.541 0.000 0.000) 2.541 5.453 ( 2.335 0.000 0.000) 2.335 5.576 ( 1.960 0.000 0.000) 1.960 5.678 ( 6.461 0.000 0.000) 6.461 6.010 ( 6.085 0.000 0.000) 6.085 6.210 ( -14.367 0.000 0.000) 14.367 6.301 ( -4.080 0.000 0.000) 4.080 6.906 ( 16.951 0.000 0.000) 16.951 7.618 ( -1.978 0.000 0.000) 1.978 8.517 ( 9.097 0.000 0.000) 9.097 9.164 ( 8.848 0.000 0.000) 8.848 9.421 ( -11.187 0.000 0.000) 11.187 9.584 ( -0.605 0.000 0.000) 0.605 10.191 ( 10.550 0.000 0.000) 10.550 10.726 ( 6.992 0.000 0.000) 6.992 10.842 ( 16.980 0.000 0.000) 16.980 10.867 ( 5.906 0.000 0.000) 5.906 11.322 ( -14.964 0.000 0.000) 14.964 11.342 ( -4.854 0.000 0.000) 4.854 12.015 ( -22.161 0.000 0.000) 22.161 12.218 ( -13.108 0.000 0.000) 13.108 12.782 ( 3.246 0.000 0.000) 3.246 12.976 ( 7.234 0.000 0.000) 7.234 13.136 ( -4.548 0.000 0.000) 4.548 13.263 ( 1.841 0.000 0.000) 1.841 13.581 ( -8.463 0.000 0.000) 8.463 13.772 ( 0.696 0.000 0.000) 0.696 13.793 ( 0.114 0.000 0.000) 0.114 13.889 ( -10.043 0.000 0.000) 10.043 14.466 ( 15.791 0.000 0.000) 15.791 15.228 ( -2.408 0.000 0.000) 2.408 15.708 ( 2.172 0.000 0.000) 2.172 15.978 ( -5.929 0.000 0.000) 5.929 16.215 ( 4.343 0.000 0.000) 4.343 16.320 ( -0.227 0.000 0.000) 0.227 16.563 ( 3.241 0.000 0.000) 3.241 16.814 ( -2.209 0.000 0.000) 2.209 16.988 ( 8.677 0.000 0.000) 8.677 17.322 ( 1.948 0.000 0.000) 1.948 17.505 ( -1.412 0.000 0.000) 1.412 17.820 ( -2.870 0.000 0.000) 2.870 17.916 ( -9.436 0.000 0.000) 9.436 18.017 ( -4.077 0.000 0.000) 4.077 18.328 ( 19.305 0.000 0.000) 19.305 18.698 ( 0.181 0.000 0.000) 0.181 18.725 ( -0.406 0.000 0.000) 0.406 19.406 ( -9.443 0.000 0.000) 9.443 19.909 ( 6.183 0.000 0.000) 6.183 20.288 ( -1.994 0.000 0.000) 1.994 21.337 ( 8.311 0.000 0.000) 8.311 21.950 ( -2.551 0.000 0.000) 2.551 21.987 ( -3.072 0.000 0.000) 3.072 22.091 ( 3.255 0.000 0.000) 3.255 22.185 ( -11.541 0.000 0.000) 11.541 22.334 ( -6.103 0.000 0.000) 6.103 23.167 ( 13.888 0.000 0.000) 13.888 23.830 ( -5.008 0.000 0.000) 5.008 ======================= Grid point 2 (3/81) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 23.466 0.000 0.000) 23.466 1.271 ( 28.434 0.000 0.000) 28.434 1.617 ( -10.499 0.000 0.000) 10.499 1.707 ( 3.516 0.000 0.000) 3.516 1.748 ( 6.684 0.000 0.000) 6.684 1.894 ( -8.124 0.000 0.000) 8.124 2.093 ( 3.880 0.000 0.000) 3.880 2.203 ( -0.468 0.000 0.000) 0.468 2.223 ( -2.600 0.000 0.000) 2.600 2.237 ( 5.703 0.000 0.000) 5.703 2.628 ( 2.576 0.000 0.000) 2.576 2.726 ( 3.437 0.000 0.000) 3.437 2.789 ( -2.562 0.000 0.000) 2.562 2.814 ( -13.733 0.000 0.000) 13.733 2.903 ( 1.775 0.000 0.000) 1.775 2.932 ( -1.032 0.000 0.000) 1.032 2.942 ( 7.039 0.000 0.000) 7.039 3.062 ( -2.119 0.000 0.000) 2.119 3.065 ( -3.785 0.000 0.000) 3.785 3.280 ( -23.072 0.000 0.000) 23.072 3.757 ( 0.652 0.000 0.000) 0.652 3.776 ( -1.079 0.000 0.000) 1.079 3.810 ( 4.468 0.000 0.000) 4.468 3.825 ( 6.457 0.000 0.000) 6.457 4.445 ( -0.942 0.000 0.000) 0.942 4.530 ( -5.635 0.000 0.000) 5.635 4.997 ( -0.719 0.000 0.000) 0.719 5.005 ( -0.147 0.000 0.000) 0.147 5.584 ( 9.345 0.000 0.000) 9.345 5.661 ( 4.001 0.000 0.000) 4.001 5.759 ( 1.097 0.000 0.000) 1.097 5.884 ( -13.073 0.000 0.000) 13.073 6.152 ( 4.008 0.000 0.000) 4.008 6.221 ( -3.213 0.000 0.000) 3.213 7.244 ( 15.034 0.000 0.000) 15.034 7.504 ( -9.365 0.000 0.000) 9.365 8.779 ( 15.455 0.000 0.000) 15.455 9.122 ( -16.608 0.000 0.000) 16.608 9.388 ( 10.765 0.000 0.000) 10.765 9.545 ( -4.101 0.000 0.000) 4.101 10.501 ( 18.741 0.000 0.000) 18.741 10.929 ( -21.218 0.000 0.000) 21.218 10.975 ( 17.623 0.000 0.000) 17.623 11.024 ( 8.661 0.000 0.000) 8.661 11.203 ( -8.167 0.000 0.000) 8.167 11.276 ( 18.810 0.000 0.000) 18.810 11.493 ( -20.844 0.000 0.000) 20.844 11.830 ( -23.165 0.000 0.000) 23.165 12.880 ( 5.943 0.000 0.000) 5.943 13.015 ( -6.680 0.000 0.000) 6.680 13.154 ( 9.510 0.000 0.000) 9.510 13.368 ( -10.992 0.000 0.000) 10.992 13.391 ( 10.197 0.000 0.000) 10.197 13.642 ( -12.940 0.000 0.000) 12.940 13.786 ( 0.580 0.000 0.000) 0.580 13.794 ( -0.124 0.000 0.000) 0.124 14.813 ( 16.107 0.000 0.000) 16.107 15.095 ( -10.483 0.000 0.000) 10.483 15.771 ( 3.838 0.000 0.000) 3.838 15.863 ( -5.028 0.000 0.000) 5.028 16.281 ( 2.120 0.000 0.000) 2.120 16.310 ( -0.827 0.000 0.000) 0.827 16.652 ( 4.874 0.000 0.000) 4.874 16.748 ( -4.120 0.000 0.000) 4.120 17.262 ( 16.641 0.000 0.000) 16.641 17.378 ( 3.187 0.000 0.000) 3.187 17.454 ( -3.100 0.000 0.000) 3.100 17.632 ( -16.832 0.000 0.000) 16.832 17.833 ( 3.251 0.000 0.000) 3.251 17.923 ( -4.821 0.000 0.000) 4.821 18.704 ( 0.408 0.000 0.000) 0.408 18.714 ( -0.548 0.000 0.000) 0.548 18.750 ( 20.321 0.000 0.000) 20.321 19.135 ( -16.280 0.000 0.000) 16.280 20.066 ( 8.155 0.000 0.000) 8.155 20.213 ( -5.492 0.000 0.000) 5.492 21.558 ( 12.310 0.000 0.000) 12.310 21.828 ( -12.843 0.000 0.000) 12.843 21.926 ( 0.578 0.000 0.000) 0.578 21.980 ( -5.013 0.000 0.000) 5.013 22.161 ( 3.548 0.000 0.000) 3.548 22.239 ( -4.023 0.000 0.000) 4.023 23.450 ( 12.706 0.000 0.000) 12.706 23.680 ( -9.301 0.000 0.000) 9.301 ======================= Grid point 5 (4/81) ======================= q-point: ( 0.00 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 0.000 24.820 0.000) 24.820 0.657 ( 0.000 32.877 0.000) 32.877 1.225 ( 0.000 61.249 0.000) 61.249 1.792 ( 0.000 19.603 0.000) 19.603 1.932 ( 0.000 -0.022 0.000) 0.022 1.946 ( 0.000 22.735 0.000) 22.735 2.378 ( 0.000 15.540 0.000) 15.540 2.470 ( 0.000 15.234 0.000) 15.234 2.515 ( 0.000 9.123 0.000) 9.123 2.556 ( 0.000 4.734 0.000) 4.734 2.593 ( 0.000 13.691 0.000) 13.691 2.752 ( 0.000 12.535 0.000) 12.535 2.967 ( 0.000 12.019 0.000) 12.019 3.004 ( 0.000 14.606 0.000) 14.606 3.022 ( 0.000 0.041 0.000) 0.041 3.056 ( 0.000 -0.088 0.000) 0.088 3.140 ( 0.000 2.912 0.000) 2.912 3.160 ( 0.000 19.797 0.000) 19.797 3.205 ( 0.000 0.358 0.000) 0.358 3.272 ( 0.000 -0.818 0.000) 0.818 3.581 ( 0.000 0.977 0.000) 0.977 3.828 ( 0.000 8.140 0.000) 8.140 3.956 ( 0.000 14.674 0.000) 14.674 4.230 ( 0.000 14.825 0.000) 14.825 4.633 ( 0.000 4.519 0.000) 4.519 4.726 ( 0.000 -0.522 0.000) 0.522 4.837 ( 0.000 -1.034 0.000) 1.034 5.078 ( 0.000 2.146 0.000) 2.146 5.445 ( 0.000 -1.816 0.000) 1.816 5.504 ( 0.000 0.675 0.000) 0.675 5.560 ( 0.000 -2.119 0.000) 2.119 5.828 ( 0.000 -8.219 0.000) 8.219 6.115 ( 0.000 -2.499 0.000) 2.499 6.468 ( 0.000 -1.069 0.000) 1.069 6.574 ( 0.000 -3.825 0.000) 3.825 7.599 ( 0.000 -3.041 0.000) 3.041 8.692 ( 0.000 -1.826 0.000) 1.826 9.150 ( 0.000 8.236 0.000) 8.236 9.581 ( 0.000 -0.215 0.000) 0.215 9.961 ( 0.000 -10.120 0.000) 10.120 9.988 ( 0.000 41.121 0.000) 41.121 10.496 ( 0.000 -4.039 0.000) 4.039 10.853 ( 0.000 0.248 0.000) 0.248 11.220 ( 0.000 25.034 0.000) 25.034 11.463 ( 0.000 -2.077 0.000) 2.077 11.662 ( 0.000 19.483 0.000) 19.483 12.256 ( 0.000 1.932 0.000) 1.932 12.637 ( 0.000 -5.626 0.000) 5.626 12.965 ( 0.000 1.533 0.000) 1.533 12.987 ( 0.000 -5.202 0.000) 5.202 13.364 ( 0.000 -2.547 0.000) 2.547 13.475 ( 0.000 12.146 0.000) 12.146 13.697 ( 0.000 2.381 0.000) 2.381 13.808 ( 0.000 4.376 0.000) 4.376 13.917 ( 0.000 8.760 0.000) 8.760 14.433 ( 0.000 15.705 0.000) 15.705 14.664 ( 0.000 4.340 0.000) 4.340 14.838 ( 0.000 10.457 0.000) 10.457 15.094 ( 0.000 -11.986 0.000) 11.986 15.923 ( 0.000 -31.376 0.000) 31.376 16.061 ( 0.000 -3.487 0.000) 3.487 16.234 ( 0.000 16.267 0.000) 16.267 16.236 ( 0.000 -4.537 0.000) 4.537 16.330 ( 0.000 0.197 0.000) 0.197 17.097 ( 0.000 1.716 0.000) 1.716 17.385 ( 0.000 1.570 0.000) 1.570 17.469 ( 0.000 -4.767 0.000) 4.767 17.914 ( 0.000 -13.595 0.000) 13.595 17.938 ( 0.000 -0.169 0.000) 0.169 18.327 ( 0.000 27.186 0.000) 27.186 18.735 ( 0.000 0.680 0.000) 0.680 18.792 ( 0.000 7.271 0.000) 7.271 19.482 ( 0.000 -2.581 0.000) 2.581 19.859 ( 0.000 2.032 0.000) 2.032 20.086 ( 0.000 0.940 0.000) 0.940 20.547 ( 0.000 0.954 0.000) 0.954 20.963 ( 0.000 0.753 0.000) 0.753 21.230 ( 0.000 -1.817 0.000) 1.817 21.910 ( 0.000 -8.895 0.000) 8.895 22.014 ( 0.000 -1.857 0.000) 1.857 22.214 ( 0.000 -6.412 0.000) 6.412 22.220 ( 0.000 -7.190 0.000) 7.190 22.943 ( 0.000 -2.947 0.000) 2.947 23.826 ( 0.000 -5.601 0.000) 5.601 ======================= Grid point 6 (5/81) ======================= q-point: ( 0.20 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 24.514 13.780 0.000) 28.122 0.860 ( 18.972 20.006 0.000) 27.571 1.571 ( 24.638 43.716 0.000) 50.181 1.863 ( -4.214 8.142 0.000) 9.168 1.870 ( 8.228 20.383 0.000) 21.981 2.050 ( 4.788 12.612 0.000) 13.491 2.319 ( -1.842 16.138 0.000) 16.243 2.330 ( -8.437 9.480 0.000) 12.690 2.471 ( -1.674 16.762 0.000) 16.845 2.538 ( 1.933 3.161 0.000) 3.705 2.566 ( -12.251 13.532 0.000) 18.254 2.770 ( 2.053 10.539 0.000) 10.737 2.897 ( -2.588 0.872 0.000) 2.731 2.965 ( -3.128 4.716 0.000) 5.659 2.968 ( -1.496 11.749 0.000) 11.844 3.087 ( 1.550 12.187 0.000) 12.285 3.111 ( -3.860 5.974 0.000) 7.112 3.183 ( -7.266 -0.376 0.000) 7.276 3.191 ( 0.051 15.180 0.000) 15.180 3.480 ( 19.933 -2.317 0.000) 20.067 3.598 ( -0.010 0.808 0.000) 0.808 3.821 ( -0.800 7.139 0.000) 7.183 3.944 ( -1.055 14.217 0.000) 14.256 4.052 ( -14.307 16.983 0.000) 22.206 4.556 ( -9.653 -1.279 0.000) 9.737 4.600 ( -2.922 1.395 0.000) 3.238 4.962 ( 5.286 -0.079 0.000) 5.286 5.070 ( -2.013 2.770 0.000) 3.425 5.439 ( 2.244 -1.468 0.000) 2.681 5.549 ( 2.073 -2.408 0.000) 3.178 5.625 ( 7.341 -2.090 0.000) 7.633 5.944 ( 7.519 -6.549 0.000) 9.971 6.181 ( 2.190 -6.164 0.000) 6.542 6.190 ( -14.721 -1.894 0.000) 14.842 6.874 ( 16.702 -3.265 0.000) 17.018 7.578 ( -2.652 -3.894 0.000) 4.711 8.739 ( 5.832 4.309 0.000) 7.252 9.295 ( 11.843 10.449 0.000) 15.793 9.471 ( -9.426 -4.611 0.000) 10.493 9.856 ( -4.808 27.304 0.000) 27.724 10.191 ( 13.345 8.069 0.000) 15.594 10.632 ( 11.807 -5.020 0.000) 12.830 10.782 ( -2.409 6.818 0.000) 7.231 11.300 ( -14.143 -2.412 0.000) 14.347 11.301 ( 7.557 22.330 0.000) 23.574 11.632 ( -4.054 23.707 0.000) 24.051 12.068 ( -17.123 7.990 0.000) 18.895 12.370 ( -21.109 0.069 0.000) 21.109 12.924 ( -3.012 -5.812 0.000) 6.547 13.040 ( 6.615 -1.633 0.000) 6.814 13.088 ( -12.881 20.882 0.000) 24.536 13.438 ( -2.633 11.912 0.000) 12.199 13.638 ( -7.174 7.292 0.000) 10.229 13.679 ( -10.762 0.399 0.000) 10.769 13.878 ( 4.717 8.810 0.000) 9.993 14.168 ( -8.978 17.373 0.000) 19.556 14.568 ( 11.626 10.517 0.000) 15.677 15.111 ( 0.919 -9.082 0.000) 9.128 15.523 ( 16.195 -19.846 0.000) 25.615 15.872 ( -3.728 -18.562 0.000) 18.933 16.128 ( 4.868 -16.948 0.000) 17.633 16.220 ( 0.312 -3.021 0.000) 3.037 16.243 ( 0.862 -2.470 0.000) 2.617 16.364 ( 1.533 3.730 0.000) 4.033 17.088 ( 3.460 0.978 0.000) 3.595 17.395 ( 0.925 0.781 0.000) 1.210 17.470 ( 0.060 -4.397 0.000) 4.397 17.833 ( -7.698 -10.820 0.000) 13.279 18.195 ( 17.747 1.644 0.000) 17.823 18.321 ( -0.353 28.316 0.000) 28.318 18.723 ( -1.226 3.100 0.000) 3.334 18.781 ( -0.935 6.873 0.000) 6.936 19.113 ( -37.905 51.921 0.000) 64.285 19.380 ( -9.154 -2.565 0.000) 9.507 19.925 ( 5.746 1.726 0.000) 6.000 20.280 ( -2.829 -0.735 0.000) 2.923 21.314 ( 7.609 -2.568 0.000) 8.031 21.708 ( 13.446 -20.598 0.000) 24.599 21.878 ( -2.055 -7.426 0.000) 7.705 22.052 ( 2.844 -3.197 0.000) 4.279 22.097 ( -9.265 -7.004 0.000) 11.614 22.229 ( -1.361 -8.104 0.000) 8.218 23.107 ( 13.550 -4.688 0.000) 14.338 23.774 ( -4.969 -5.543 0.000) 7.444 ======================= Grid point 7 (6/81) ======================= q-point: ( 0.40 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 19.576 5.589 0.000) 20.358 1.323 ( 23.375 5.228 0.000) 23.952 1.712 ( -9.486 7.484 0.000) 12.083 1.871 ( -6.566 17.305 0.000) 18.508 1.938 ( -2.967 10.185 0.000) 10.608 2.053 ( -4.102 17.208 0.000) 17.690 2.324 ( 9.513 25.022 0.000) 26.770 2.358 ( 1.080 15.307 0.000) 15.345 2.436 ( 5.519 20.649 0.000) 21.374 2.454 ( 3.517 15.367 0.000) 15.764 2.613 ( 4.650 2.549 0.000) 5.303 2.790 ( -5.170 3.168 0.000) 6.063 2.876 ( -1.751 10.371 0.000) 10.517 2.888 ( 1.632 4.339 0.000) 4.636 2.945 ( 1.985 7.482 0.000) 7.741 3.038 ( -1.933 1.949 0.000) 2.745 3.038 ( -3.524 7.091 0.000) 7.918 3.112 ( -1.857 8.524 0.000) 8.724 3.194 ( 0.733 20.192 0.000) 20.206 3.379 ( -20.048 12.993 0.000) 23.890 3.785 ( 7.266 -1.410 0.000) 7.401 3.818 ( 1.472 2.002 0.000) 2.485 3.892 ( 0.161 12.598 0.000) 12.599 3.923 ( -0.873 12.453 0.000) 12.484 4.418 ( -1.439 -1.965 0.000) 2.436 4.502 ( -6.492 -2.162 0.000) 6.843 5.020 ( 0.694 1.812 0.000) 1.940 5.025 ( -0.936 3.333 0.000) 3.462 5.560 ( 8.352 -2.350 0.000) 8.676 5.629 ( 3.191 -2.601 0.000) 4.117 5.731 ( 2.933 -1.416 0.000) 3.257 5.876 ( -12.388 -0.674 0.000) 12.406 6.099 ( 4.669 -5.406 0.000) 7.143 6.171 ( -2.300 -4.761 0.000) 5.288 7.204 ( 14.654 -4.001 0.000) 15.191 7.458 ( -9.274 -4.527 0.000) 10.320 8.938 ( 12.634 3.800 0.000) 13.193 9.223 ( -13.812 -1.721 0.000) 13.918 9.561 ( 12.082 18.483 0.000) 22.082 9.750 ( -6.270 26.012 0.000) 26.757 10.523 ( 18.463 4.104 0.000) 18.913 10.844 ( 7.091 1.027 0.000) 7.165 10.878 ( 7.899 -3.891 0.000) 8.805 10.932 ( -19.958 0.468 0.000) 19.963 11.485 ( 4.779 5.122 0.000) 7.006 11.512 ( -5.509 20.358 0.000) 21.091 11.718 ( -6.179 26.583 0.000) 27.291 11.957 ( -18.358 8.897 0.000) 20.400 12.912 ( 1.206 -5.595 0.000) 5.724 12.949 ( -2.831 6.710 0.000) 7.283 13.207 ( 8.675 0.420 0.000) 8.685 13.403 ( -10.958 3.398 0.000) 11.473 13.421 ( 2.448 7.893 0.000) 8.264 13.537 ( -6.996 0.034 0.000) 6.996 13.964 ( 3.636 13.793 0.000) 14.264 14.043 ( -4.414 15.949 0.000) 16.548 14.839 ( 12.890 2.744 0.000) 13.179 15.054 ( -6.981 -3.810 0.000) 7.953 15.691 ( 4.811 -11.119 0.000) 12.115 15.787 ( -4.475 -10.926 0.000) 11.807 16.207 ( 2.059 -23.513 0.000) 23.603 16.228 ( -0.211 -17.190 0.000) 17.192 16.291 ( 3.821 -0.077 0.000) 3.822 16.361 ( -2.061 -0.952 0.000) 2.271 17.273 ( 12.305 -0.851 0.000) 12.335 17.411 ( -0.098 -1.555 0.000) 1.558 17.474 ( 0.711 -2.851 0.000) 2.939 17.613 ( -12.373 -4.696 0.000) 13.234 18.327 ( 1.366 31.752 0.000) 31.781 18.383 ( -2.258 28.180 0.000) 28.270 18.765 ( -0.296 6.647 0.000) 6.653 18.783 ( -2.841 12.772 0.000) 13.084 18.797 ( 13.324 5.772 0.000) 14.521 19.124 ( -15.113 -1.344 0.000) 15.173 20.068 ( 7.388 0.370 0.000) 7.398 20.203 ( -5.151 -0.932 0.000) 5.235 21.516 ( 11.124 -4.166 0.000) 11.878 21.733 ( -7.586 -8.423 0.000) 11.336 21.856 ( 0.398 -6.949 0.000) 6.960 21.911 ( -5.830 -6.927 0.000) 9.054 22.115 ( 3.180 -4.185 0.000) 5.256 22.180 ( -2.962 -5.765 0.000) 6.482 23.393 ( 12.911 -5.448 0.000) 14.013 23.625 ( -9.318 -5.457 0.000) 10.799 ======================= Grid point 10 (7/81) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 25.030 0.000) 25.030 1.247 ( 0.000 26.996 0.000) 26.996 1.971 ( 0.000 4.101 0.000) 4.101 2.197 ( 0.000 19.107 0.000) 19.107 2.314 ( 0.000 45.355 0.000) 45.355 2.456 ( 0.000 26.535 0.000) 26.535 2.660 ( 0.000 13.330 0.000) 13.330 2.730 ( 0.000 13.225 0.000) 13.225 2.734 ( 0.000 19.309 0.000) 19.309 2.738 ( 0.000 9.796 0.000) 9.796 3.004 ( 0.000 7.392 0.000) 7.392 3.020 ( 0.000 20.496 0.000) 20.496 3.061 ( 0.000 5.566 0.000) 5.566 3.134 ( 0.000 12.244 0.000) 12.244 3.181 ( 0.000 2.987 0.000) 2.987 3.247 ( 0.000 2.293 0.000) 2.293 3.275 ( 0.000 12.836 0.000) 12.836 3.297 ( 0.000 17.859 0.000) 17.859 3.332 ( 0.000 13.476 0.000) 13.476 3.628 ( 0.000 25.644 0.000) 25.644 3.645 ( 0.000 7.032 0.000) 7.032 4.087 ( 0.000 19.185 0.000) 19.185 4.342 ( 0.000 24.022 0.000) 24.022 4.619 ( 0.000 23.367 0.000) 23.367 4.721 ( 0.000 0.305 0.000) 0.305 4.743 ( 0.000 5.809 0.000) 5.809 4.813 ( 0.000 -1.076 0.000) 1.076 5.194 ( 0.000 10.854 0.000) 10.854 5.400 ( 0.000 -2.514 0.000) 2.514 5.522 ( 0.000 -0.900 0.000) 0.900 5.527 ( 0.000 1.570 0.000) 1.570 5.626 ( 0.000 -11.270 0.000) 11.270 6.055 ( 0.000 -3.077 0.000) 3.077 6.442 ( 0.000 -1.309 0.000) 1.309 6.471 ( 0.000 -6.561 0.000) 6.561 7.502 ( 0.000 -7.106 0.000) 7.106 8.680 ( 0.000 1.586 0.000) 1.586 9.376 ( 0.000 14.286 0.000) 14.286 9.575 ( 0.000 -0.391 0.000) 0.391 9.740 ( 0.000 -12.329 0.000) 12.329 10.513 ( 0.000 5.724 0.000) 5.724 10.923 ( 0.000 48.841 0.000) 48.841 10.950 ( 0.000 9.854 0.000) 9.854 11.434 ( 0.000 0.055 0.000) 0.055 11.504 ( 0.000 2.924 0.000) 2.924 11.810 ( 0.000 -5.142 0.000) 5.142 12.497 ( 0.000 22.091 0.000) 22.091 12.750 ( 0.000 -11.654 0.000) 11.654 12.810 ( 0.000 22.503 0.000) 22.503 13.193 ( 0.000 12.187 0.000) 12.187 13.286 ( 0.000 -5.473 0.000) 5.473 13.704 ( 0.000 12.015 0.000) 12.015 13.767 ( 0.000 4.591 0.000) 4.591 13.933 ( 0.000 8.420 0.000) 8.420 14.051 ( 0.000 4.166 0.000) 4.166 14.817 ( 0.000 22.156 0.000) 22.156 14.837 ( 0.000 -12.230 0.000) 12.230 14.838 ( 0.000 14.084 0.000) 14.084 15.115 ( 0.000 15.886 0.000) 15.886 15.249 ( 0.000 -29.933 0.000) 29.933 15.991 ( 0.000 -2.681 0.000) 2.681 16.273 ( 0.000 4.283 0.000) 4.283 16.309 ( 0.000 -2.355 0.000) 2.355 16.598 ( 0.000 19.689 0.000) 19.689 17.157 ( 0.000 4.720 0.000) 4.720 17.335 ( 0.000 -8.798 0.000) 8.798 17.346 ( 0.000 -4.611 0.000) 4.611 17.620 ( 0.000 -15.699 0.000) 15.699 17.937 ( 0.000 0.248 0.000) 0.248 18.752 ( 0.000 0.673 0.000) 0.673 18.837 ( 0.000 21.958 0.000) 21.958 18.907 ( 0.000 3.845 0.000) 3.845 19.424 ( 0.000 -2.547 0.000) 2.547 19.917 ( 0.000 3.722 0.000) 3.722 20.102 ( 0.000 0.337 0.000) 0.337 20.565 ( 0.000 0.666 0.000) 0.666 20.989 ( 0.000 2.225 0.000) 2.225 21.156 ( 0.000 -6.127 0.000) 6.127 21.688 ( 0.000 -12.824 0.000) 12.824 21.990 ( 0.000 0.126 0.000) 0.126 22.021 ( 0.000 -12.924 0.000) 12.924 22.036 ( 0.000 -11.553 0.000) 11.553 22.863 ( 0.000 -5.029 0.000) 5.029 23.677 ( 0.000 -9.384 0.000) 9.384 ======================= Grid point 11 (8/81) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 15.000 19.566 0.000) 24.654 1.303 ( 5.867 22.722 0.000) 23.468 1.954 ( -2.260 5.122 0.000) 5.599 2.147 ( -2.278 13.721 0.000) 13.909 2.437 ( 4.060 35.066 0.000) 35.301 2.488 ( 2.604 24.925 0.000) 25.060 2.603 ( -4.687 5.526 0.000) 7.246 2.632 ( -2.840 13.918 0.000) 14.205 2.739 ( 5.921 25.781 0.000) 26.452 2.830 ( 0.177 18.544 0.000) 18.545 2.937 ( -3.068 12.645 0.000) 13.011 2.941 ( -4.709 4.937 0.000) 6.822 2.996 ( -3.131 19.135 0.000) 19.389 3.070 ( -2.158 5.763 0.000) 6.154 3.194 ( -5.309 10.905 0.000) 12.129 3.222 ( -2.073 8.469 0.000) 8.719 3.279 ( -1.592 17.395 0.000) 17.468 3.401 ( 3.510 13.710 0.000) 14.152 3.470 ( 17.032 2.569 0.000) 17.224 3.664 ( 2.819 26.839 0.000) 26.987 3.686 ( 4.008 10.488 0.000) 11.227 4.059 ( -2.620 17.861 0.000) 18.052 4.306 ( -3.105 21.761 0.000) 21.981 4.471 ( -12.813 23.005 0.000) 26.332 4.538 ( -9.798 -0.310 0.000) 9.803 4.656 ( -7.821 6.038 0.000) 9.881 4.978 ( 8.193 2.495 0.000) 8.564 5.193 ( -1.243 10.689 0.000) 10.761 5.401 ( 1.996 -1.983 0.000) 2.814 5.500 ( 3.065 -2.101 0.000) 3.716 5.616 ( 6.345 0.763 0.000) 6.391 5.779 ( 8.977 -9.410 0.000) 13.005 6.073 ( 0.603 -5.132 0.000) 5.167 6.146 ( -14.272 -2.387 0.000) 14.470 6.787 ( 15.829 -5.435 0.000) 16.736 7.466 ( -3.735 -7.706 0.000) 8.563 8.742 ( 5.433 -0.446 0.000) 5.451 9.342 ( -13.097 -7.575 0.000) 15.130 9.518 ( 13.183 12.751 0.000) 18.340 9.980 ( 12.637 -3.556 0.000) 13.128 10.561 ( 3.391 5.837 0.000) 6.751 10.960 ( 4.960 44.867 0.000) 45.140 10.974 ( 2.586 12.541 0.000) 12.805 11.253 ( -14.034 -1.421 0.000) 14.105 11.525 ( 1.565 1.700 0.000) 2.311 11.919 ( 7.440 0.230 0.000) 7.444 12.416 ( -8.137 24.245 0.000) 25.574 12.523 ( -23.899 20.621 0.000) 31.566 12.771 ( 2.026 -8.124 0.000) 8.373 13.128 ( -1.474 7.667 0.000) 7.808 13.248 ( -5.284 1.000 0.000) 5.378 13.686 ( -7.788 3.620 0.000) 8.589 13.686 ( -1.737 13.179 0.000) 13.293 13.934 ( -9.131 13.303 0.000) 16.135 14.059 ( 8.927 9.551 0.000) 13.073 14.522 ( -13.477 18.918 0.000) 23.228 14.835 ( 1.828 13.867 0.000) 13.987 14.914 ( 2.933 -10.063 0.000) 10.482 15.333 ( 7.100 -23.017 0.000) 24.087 15.337 ( 10.402 2.538 0.000) 10.708 15.997 ( 0.139 -1.571 0.000) 1.577 16.206 ( -7.706 -1.789 0.000) 7.911 16.275 ( 0.847 3.184 0.000) 3.295 16.595 ( -3.109 16.827 0.000) 17.111 17.124 ( 2.241 3.110 0.000) 3.834 17.347 ( -0.014 -4.913 0.000) 4.913 17.347 ( 1.062 -7.743 0.000) 7.816 17.592 ( -2.889 -12.893 0.000) 13.212 18.183 ( 18.026 -1.868 0.000) 18.123 18.762 ( 1.287 1.106 0.000) 1.697 18.783 ( -3.845 11.577 0.000) 12.199 18.963 ( 4.207 14.930 0.000) 15.512 19.317 ( -9.240 -2.826 0.000) 9.663 19.804 ( -26.481 22.227 0.000) 34.573 19.976 ( 4.850 3.429 0.000) 5.940 20.263 ( -6.125 -0.946 0.000) 6.197 21.224 ( 6.259 -7.000 0.000) 9.390 21.406 ( 16.883 -10.051 0.000) 19.648 21.680 ( -0.632 -11.992 0.000) 12.009 21.920 ( -9.279 -11.290 0.000) 14.614 22.004 ( 1.199 -0.938 0.000) 1.522 22.029 ( 0.313 -12.192 0.000) 12.196 23.000 ( 11.407 -6.260 0.000) 13.012 23.627 ( -4.789 -9.229 0.000) 10.398 ======================= Grid point 12 (9/81) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 12.341 8.990 0.000) 15.268 1.468 ( 8.046 11.064 0.000) 13.680 1.896 ( 0.098 11.915 0.000) 11.915 2.090 ( -10.865 11.186 0.000) 15.594 2.300 ( 0.856 17.596 0.000) 17.617 2.463 ( -7.787 19.778 0.000) 21.256 2.665 ( 6.140 10.980 0.000) 12.580 2.665 ( 3.041 15.837 0.000) 16.126 2.722 ( -4.229 14.155 0.000) 14.774 2.817 ( -7.040 9.847 0.000) 12.104 2.927 ( 1.236 11.604 0.000) 11.670 2.941 ( 8.077 7.453 0.000) 10.990 2.977 ( -2.388 20.944 0.000) 21.080 3.047 ( -2.233 5.254 0.000) 5.709 3.192 ( 0.331 14.352 0.000) 14.355 3.213 ( 10.252 25.237 0.000) 27.240 3.234 ( -1.695 17.627 0.000) 17.709 3.414 ( -3.610 16.153 0.000) 16.552 3.697 ( 4.601 26.253 0.000) 26.654 3.768 ( 1.134 22.763 0.000) 22.791 3.798 ( 9.591 7.212 0.000) 12.000 3.961 ( -7.687 16.378 0.000) 18.092 4.206 ( -6.932 17.823 0.000) 19.124 4.225 ( -4.673 16.241 0.000) 16.900 4.400 ( -1.412 1.427 0.000) 2.008 4.485 ( -7.661 2.137 0.000) 7.953 5.103 ( 3.879 7.875 0.000) 8.779 5.156 ( -1.850 10.994 0.000) 11.149 5.504 ( 6.947 -3.049 0.000) 7.586 5.582 ( 1.631 -1.904 0.000) 2.507 5.731 ( 4.535 1.442 0.000) 4.759 5.867 ( -9.426 0.089 0.000) 9.426 5.951 ( 5.166 -9.450 0.000) 10.770 6.047 ( -3.165 -7.622 0.000) 8.253 7.096 ( 13.599 -6.940 0.000) 15.267 7.334 ( -9.070 -8.011 0.000) 12.102 8.888 ( 8.533 -4.797 0.000) 9.789 9.091 ( -11.000 -8.189 0.000) 13.713 9.859 ( 17.165 9.920 0.000) 19.825 10.105 ( -3.502 4.758 0.000) 5.908 10.658 ( 8.588 6.152 0.000) 10.564 10.925 ( -15.090 1.959 0.000) 15.216 11.075 ( 5.215 14.960 0.000) 15.842 11.115 ( 5.234 26.926 0.000) 27.430 11.591 ( 8.563 8.343 0.000) 11.955 11.977 ( -25.554 21.365 0.000) 33.308 12.064 ( 6.344 8.159 0.000) 10.335 12.213 ( -8.999 21.235 0.000) 23.063 12.867 ( 7.718 0.727 0.000) 7.752 13.069 ( -10.627 3.944 0.000) 11.336 13.209 ( 8.281 0.668 0.000) 8.308 13.437 ( -13.127 1.098 0.000) 13.173 13.691 ( 2.192 18.817 0.000) 18.944 13.778 ( -5.792 20.413 0.000) 21.219 14.220 ( 6.208 11.775 0.000) 13.311 14.336 ( -5.982 14.358 0.000) 15.554 14.891 ( 3.286 0.585 0.000) 3.338 14.942 ( -0.793 -7.704 0.000) 7.745 15.475 ( 4.718 -11.409 0.000) 12.347 15.481 ( 3.832 -3.550 0.000) 5.224 15.992 ( 0.246 -2.392 0.000) 2.405 16.055 ( -5.926 -3.411 0.000) 6.837 16.337 ( 5.225 4.092 0.000) 6.637 16.472 ( -7.148 9.446 0.000) 11.846 17.258 ( 7.507 -1.043 0.000) 7.579 17.339 ( -1.115 -5.491 0.000) 5.603 17.383 ( 2.980 -5.045 0.000) 5.860 17.495 ( -6.272 -6.241 0.000) 8.848 18.524 ( 12.550 -2.234 0.000) 12.747 18.691 ( -5.282 4.289 0.000) 6.804 18.841 ( 7.760 0.719 0.000) 7.793 19.065 ( -5.142 1.384 0.000) 5.325 19.100 ( 0.537 19.791 0.000) 19.798 19.339 ( -16.768 29.050 0.000) 33.542 20.086 ( 5.272 1.511 0.000) 5.484 20.181 ( -3.819 -1.248 0.000) 4.018 21.397 ( 9.820 -8.163 0.000) 12.770 21.559 ( -1.732 -8.559 0.000) 8.732 21.672 ( 0.095 -11.365 0.000) 11.365 21.720 ( -7.072 -12.487 0.000) 14.351 22.030 ( 1.038 -3.632 0.000) 3.777 22.039 ( 0.262 -7.868 0.000) 7.872 23.258 ( 12.277 -8.017 0.000) 14.663 23.482 ( -9.056 -8.817 0.000) 12.639 ======================= Grid point 15 (10/81) ======================= q-point: ( 0.00 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 21.642 0.000) 21.642 1.686 ( 0.000 18.313 0.000) 18.313 2.085 ( 0.000 7.538 0.000) 7.538 2.497 ( 0.000 12.133 0.000) 12.133 2.687 ( 0.000 8.180 0.000) 8.180 2.748 ( 0.000 -0.009 0.000) 0.009 2.939 ( 0.000 12.846 0.000) 12.846 2.978 ( 0.000 11.067 0.000) 11.067 3.062 ( 0.000 13.359 0.000) 13.359 3.115 ( 0.000 3.265 0.000) 3.265 3.149 ( 0.000 9.506 0.000) 9.506 3.175 ( 0.000 8.838 0.000) 8.838 3.264 ( 0.000 0.816 0.000) 0.816 3.321 ( 0.000 20.708 0.000) 20.708 3.362 ( 0.000 9.968 0.000) 9.968 3.438 ( 0.000 29.338 0.000) 29.338 3.630 ( 0.000 16.745 0.000) 16.745 3.642 ( 0.000 16.594 0.000) 16.594 3.816 ( 0.000 35.894 0.000) 35.894 3.875 ( 0.000 14.396 0.000) 14.396 4.066 ( 0.000 17.919 0.000) 17.919 4.540 ( 0.000 25.406 0.000) 25.406 4.714 ( 0.000 3.541 0.000) 3.541 4.758 ( 0.000 4.018 0.000) 4.018 4.862 ( 0.000 7.732 0.000) 7.732 4.942 ( 0.000 24.053 0.000) 24.053 4.990 ( 0.000 7.616 0.000) 7.616 5.373 ( 0.000 0.700 0.000) 0.700 5.392 ( 0.000 4.059 0.000) 4.059 5.512 ( 0.000 6.210 0.000) 6.210 5.550 ( 0.000 0.196 0.000) 0.196 5.650 ( 0.000 18.266 0.000) 18.266 6.035 ( 0.000 2.515 0.000) 2.515 6.335 ( 0.000 -6.716 0.000) 6.716 6.430 ( 0.000 0.678 0.000) 0.678 7.326 ( 0.000 -10.758 0.000) 10.758 8.791 ( 0.000 10.679 0.000) 10.679 9.488 ( 0.000 -13.223 0.000) 13.223 9.565 ( 0.000 -0.765 0.000) 0.765 9.665 ( 0.000 14.335 0.000) 14.335 10.720 ( 0.000 15.338 0.000) 15.338 11.211 ( 0.000 15.372 0.000) 15.372 11.461 ( 0.000 -4.699 0.000) 4.699 11.503 ( 0.000 7.763 0.000) 7.763 11.686 ( 0.000 -3.018 0.000) 3.018 11.713 ( 0.000 30.688 0.000) 30.688 12.526 ( 0.000 -11.273 0.000) 11.273 12.933 ( 0.000 20.008 0.000) 20.008 13.152 ( 0.000 -8.431 0.000) 8.431 13.223 ( 0.000 15.435 0.000) 15.435 13.276 ( 0.000 -6.552 0.000) 6.552 13.869 ( 0.000 5.774 0.000) 5.774 13.991 ( 0.000 16.514 0.000) 16.514 14.089 ( 0.000 0.273 0.000) 0.273 14.105 ( 0.000 7.792 0.000) 7.792 14.629 ( 0.000 -8.609 0.000) 8.609 14.953 ( 0.000 2.884 0.000) 2.884 15.187 ( 0.000 20.132 0.000) 20.132 15.247 ( 0.000 21.235 0.000) 21.235 15.437 ( 0.000 16.407 0.000) 16.407 15.995 ( 0.000 3.656 0.000) 3.656 16.259 ( 0.000 -2.080 0.000) 2.080 16.360 ( 0.000 4.090 0.000) 4.090 16.913 ( 0.000 6.762 0.000) 6.762 17.181 ( 0.000 -1.707 0.000) 1.707 17.224 ( 0.000 -7.671 0.000) 7.671 17.291 ( 0.000 9.288 0.000) 9.288 17.322 ( 0.000 -14.825 0.000) 14.825 17.953 ( 0.000 1.481 0.000) 1.481 18.742 ( 0.000 -2.021 0.000) 2.021 18.940 ( 0.000 -0.239 0.000) 0.239 19.082 ( 0.000 2.249 0.000) 2.249 19.440 ( 0.000 4.892 0.000) 4.892 19.984 ( 0.000 2.273 0.000) 2.273 20.077 ( 0.000 -3.437 0.000) 3.437 20.563 ( 0.000 -1.127 0.000) 1.127 21.003 ( 0.000 -8.638 0.000) 8.638 21.072 ( 0.000 6.845 0.000) 6.845 21.455 ( 0.000 -10.313 0.000) 10.313 21.732 ( 0.000 -16.455 0.000) 16.455 21.779 ( 0.000 -14.565 0.000) 14.565 22.030 ( 0.000 3.862 0.000) 3.862 22.756 ( 0.000 -5.867 0.000) 5.867 23.478 ( 0.000 -10.664 0.000) 10.664 ======================= Grid point 16 (11/81) ======================= q-point: ( 0.20 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 7.519 17.873 0.000) 19.390 1.688 ( 0.196 16.665 0.000) 16.666 2.094 ( 1.033 9.280 0.000) 9.337 2.403 ( -4.688 13.411 0.000) 14.207 2.717 ( -2.404 6.104 0.000) 6.560 2.743 ( 0.118 2.317 0.000) 2.320 2.897 ( -7.741 6.311 0.000) 9.988 2.920 ( -3.100 11.622 0.000) 12.028 3.033 ( -0.404 21.121 0.000) 21.125 3.041 ( -3.435 5.268 0.000) 6.289 3.083 ( -7.423 7.966 0.000) 10.888 3.120 ( -2.211 2.950 0.000) 3.687 3.230 ( 6.143 12.589 0.000) 14.008 3.447 ( 2.765 11.855 0.000) 12.174 3.452 ( 1.462 12.178 0.000) 12.266 3.542 ( 6.314 23.242 0.000) 24.085 3.612 ( -0.552 11.984 0.000) 11.997 3.644 ( 0.289 17.315 0.000) 17.317 3.789 ( 4.670 35.001 0.000) 35.311 3.987 ( 9.327 16.335 0.000) 18.810 4.139 ( 5.251 20.571 0.000) 21.231 4.486 ( -4.632 24.485 0.000) 24.919 4.561 ( -7.765 3.593 0.000) 8.556 4.672 ( -11.306 4.551 0.000) 12.187 4.716 ( -5.602 17.783 0.000) 18.644 5.044 ( -5.926 24.380 0.000) 25.089 5.110 ( 11.752 12.089 0.000) 16.860 5.400 ( 2.756 4.046 0.000) 4.895 5.410 ( 0.863 7.140 0.000) 7.192 5.487 ( 5.143 -0.872 0.000) 5.217 5.623 ( 5.885 -1.356 0.000) 6.039 5.701 ( 1.672 9.355 0.000) 9.503 6.016 ( -2.169 1.162 0.000) 2.461 6.115 ( -11.458 0.148 0.000) 11.459 6.677 ( 13.796 -5.228 0.000) 14.753 7.284 ( -4.072 -10.735 0.000) 11.482 8.800 ( 0.956 7.500 0.000) 7.560 9.198 ( -13.610 -6.826 0.000) 15.226 9.773 ( 9.673 12.673 0.000) 15.943 9.882 ( 15.406 -5.894 0.000) 16.495 10.742 ( 2.075 13.819 0.000) 13.974 11.241 ( 2.674 13.807 0.000) 14.063 11.281 ( -13.414 4.792 0.000) 14.245 11.453 ( -1.050 -2.625 0.000) 2.828 11.760 ( 4.994 29.469 0.000) 29.889 11.897 ( 12.580 2.977 0.000) 12.927 12.564 ( 1.980 -8.383 0.000) 8.614 12.850 ( -19.741 7.470 0.000) 21.107 12.890 ( -2.826 16.673 0.000) 16.911 13.203 ( -4.306 -0.737 0.000) 4.369 13.263 ( -3.857 1.572 0.000) 4.165 13.747 ( -10.925 3.499 0.000) 11.472 13.993 ( 2.246 14.788 0.000) 14.958 14.106 ( 1.422 5.493 0.000) 5.674 14.237 ( 8.809 8.055 0.000) 11.937 14.639 ( -0.205 -7.077 0.000) 7.080 14.922 ( -2.224 3.999 0.000) 4.575 15.028 ( -10.064 21.629 0.000) 23.855 15.322 ( 6.665 15.252 0.000) 16.645 15.510 ( 3.858 12.404 0.000) 12.991 16.040 ( 2.572 6.319 0.000) 6.823 16.175 ( -6.770 -0.706 0.000) 6.807 16.341 ( 0.017 3.176 0.000) 3.176 16.916 ( -4.791 14.059 0.000) 14.853 17.105 ( -2.014 -7.702 0.000) 7.961 17.220 ( -0.418 -7.826 0.000) 7.837 17.304 ( 2.686 7.429 0.000) 7.900 17.351 ( 2.335 -11.806 0.000) 12.034 18.139 ( 14.269 -2.406 0.000) 14.470 18.748 ( 0.934 -2.825 0.000) 2.975 18.847 ( -6.850 -0.974 0.000) 6.918 19.103 ( -1.928 -3.798 0.000) 4.259 19.409 ( 0.339 11.602 0.000) 11.607 20.044 ( 4.540 2.925 0.000) 5.400 20.064 ( -3.649 4.317 0.000) 5.653 20.269 ( -16.333 3.429 0.000) 16.689 21.050 ( 4.617 -10.062 0.000) 11.071 21.281 ( 10.656 -4.222 0.000) 11.462 21.453 ( -0.166 -10.440 0.000) 10.442 21.661 ( -9.784 -15.145 0.000) 18.031 21.789 ( 5.136 -11.307 0.000) 12.419 22.026 ( -0.524 3.054 0.000) 3.098 22.870 ( 9.628 -6.945 0.000) 11.872 23.432 ( -4.426 -10.431 0.000) 11.331 ======================= Grid point 17 (12/81) ======================= q-point: ( 0.40 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 4.776 10.294 0.000) 11.348 1.692 ( 0.011 11.668 0.000) 11.668 2.168 ( 7.544 15.455 0.000) 17.198 2.354 ( -4.373 15.349 0.000) 15.960 2.543 ( -4.310 10.072 0.000) 10.955 2.692 ( -12.693 6.693 0.000) 14.350 2.790 ( 3.324 3.496 0.000) 4.824 2.852 ( -0.824 0.459 0.000) 0.943 2.996 ( -2.522 4.758 0.000) 5.385 2.996 ( -1.562 1.133 0.000) 1.930 3.076 ( 3.037 17.664 0.000) 17.923 3.111 ( 0.433 19.416 0.000) 19.421 3.361 ( 5.910 16.922 0.000) 17.924 3.423 ( -2.277 17.733 0.000) 17.879 3.446 ( -1.337 12.681 0.000) 12.751 3.507 ( -5.357 13.135 0.000) 14.185 3.639 ( 2.322 9.881 0.000) 10.150 3.662 ( 0.638 14.038 0.000) 14.053 4.088 ( 18.017 25.109 0.000) 30.904 4.209 ( 10.995 18.062 0.000) 21.145 4.253 ( 5.692 21.834 0.000) 22.564 4.371 ( -6.281 21.404 0.000) 22.306 4.424 ( -7.337 11.504 0.000) 13.645 4.431 ( -12.307 9.559 0.000) 15.583 4.620 ( -0.137 18.928 0.000) 18.928 4.781 ( -14.046 27.057 0.000) 30.485 5.350 ( 10.218 15.181 0.000) 18.299 5.443 ( 0.498 15.046 0.000) 15.055 5.472 ( 3.935 2.569 0.000) 4.699 5.581 ( -2.911 3.827 0.000) 4.808 5.741 ( 5.585 -10.183 0.000) 11.614 5.748 ( 5.329 -3.335 0.000) 6.287 5.918 ( -6.561 5.829 0.000) 8.776 5.934 ( -5.550 0.451 0.000) 5.569 6.946 ( 11.796 -8.045 0.000) 14.278 7.156 ( -8.255 -10.020 0.000) 12.982 8.844 ( 3.736 1.486 0.000) 4.020 8.968 ( -8.477 -3.665 0.000) 9.235 10.002 ( 10.176 5.744 0.000) 11.686 10.094 ( 3.141 -3.119 0.000) 4.427 10.819 ( 6.131 11.635 0.000) 13.152 11.011 ( -11.848 7.857 0.000) 14.216 11.322 ( 4.457 9.065 0.000) 10.101 11.407 ( -3.390 2.936 0.000) 4.485 11.942 ( 12.435 23.425 0.000) 26.521 12.112 ( 4.389 8.656 0.000) 9.705 12.459 ( -12.777 15.642 0.000) 20.197 12.499 ( -8.050 7.360 0.000) 10.907 12.915 ( 6.034 3.090 0.000) 6.779 13.095 ( -10.178 -1.171 0.000) 10.245 13.225 ( 7.582 1.890 0.000) 7.814 13.471 ( -14.229 2.628 0.000) 14.469 14.067 ( 3.943 15.698 0.000) 16.186 14.121 ( -0.734 11.926 0.000) 11.948 14.408 ( 7.561 6.678 0.000) 10.088 14.562 ( -6.952 3.585 0.000) 7.822 14.888 ( -0.701 5.304 0.000) 5.350 14.899 ( -2.205 10.677 0.000) 10.903 15.481 ( 7.139 8.146 0.000) 10.832 15.557 ( 0.102 8.352 0.000) 8.353 16.028 ( -2.461 5.304 0.000) 5.847 16.041 ( -4.613 1.893 0.000) 4.987 16.450 ( 10.071 7.792 0.000) 12.734 16.697 ( -12.751 13.496 0.000) 18.567 17.151 ( 3.248 -9.501 0.000) 10.041 17.201 ( -1.561 -8.430 0.000) 8.574 17.371 ( 2.707 3.089 0.000) 4.107 17.391 ( 0.848 -4.736 0.000) 4.811 18.441 ( 13.686 -5.650 0.000) 14.806 18.680 ( -9.462 -3.793 0.000) 10.194 18.805 ( 5.164 -4.496 0.000) 6.847 18.963 ( -9.192 -6.880 0.000) 11.481 19.528 ( 10.156 18.021 0.000) 20.686 19.800 ( -15.658 18.898 0.000) 24.542 20.125 ( 2.666 2.325 0.000) 3.538 20.153 ( -0.610 -1.622 0.000) 1.733 21.195 ( 9.266 -12.449 0.000) 15.519 21.401 ( -2.361 -8.202 0.000) 8.535 21.435 ( -6.674 -16.538 0.000) 17.834 21.446 ( -0.632 -11.067 0.000) 11.085 21.915 ( 5.705 -4.020 0.000) 6.979 21.999 ( -2.435 0.547 0.000) 2.495 23.094 ( 10.982 -8.622 0.000) 13.962 23.298 ( -8.362 -9.767 0.000) 12.857 ======================= Grid point 20 (13/81) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.000 14.663 0.000) 14.663 1.982 ( 0.000 12.940 0.000) 12.940 2.266 ( 0.000 11.026 0.000) 11.026 2.678 ( 0.000 -5.593 0.000) 5.593 2.680 ( 0.000 7.170 0.000) 7.170 2.841 ( 0.000 7.890 0.000) 7.890 3.079 ( 0.000 3.256 0.000) 3.256 3.084 ( 0.000 -2.787 0.000) 2.787 3.208 ( 0.000 12.779 0.000) 12.779 3.239 ( 0.000 4.314 0.000) 4.314 3.289 ( 0.000 3.872 0.000) 3.872 3.302 ( 0.000 4.550 0.000) 4.550 3.304 ( 0.000 5.488 0.000) 5.488 3.583 ( 0.000 11.350 0.000) 11.350 3.741 ( 0.000 20.165 0.000) 20.165 3.821 ( 0.000 6.058 0.000) 6.058 3.960 ( 0.000 15.424 0.000) 15.424 3.993 ( 0.000 19.258 0.000) 19.258 4.097 ( 0.000 7.419 0.000) 7.419 4.302 ( 0.000 6.527 0.000) 6.527 4.539 ( 0.000 34.388 0.000) 34.388 4.718 ( 0.000 0.105 0.000) 0.105 4.826 ( 0.000 -6.138 0.000) 6.138 4.893 ( 0.000 11.386 0.000) 11.386 5.077 ( 0.000 13.899 0.000) 13.899 5.105 ( 0.000 20.931 0.000) 20.931 5.355 ( 0.000 4.488 0.000) 4.488 5.441 ( 0.000 3.020 0.000) 3.020 5.472 ( 0.000 10.105 0.000) 10.105 5.635 ( 0.000 19.085 0.000) 19.085 5.831 ( 0.000 18.075 0.000) 18.075 6.001 ( 0.000 8.025 0.000) 8.025 6.186 ( 0.000 12.456 0.000) 12.456 6.321 ( 0.000 12.641 0.000) 12.641 6.510 ( 0.000 9.148 0.000) 9.148 7.098 ( 0.000 -12.129 0.000) 12.129 9.110 ( 0.000 21.997 0.000) 21.997 9.248 ( 0.000 -10.962 0.000) 10.962 9.536 ( 0.000 -2.557 0.000) 2.557 9.908 ( 0.000 10.694 0.000) 10.694 11.082 ( 0.000 20.271 0.000) 20.271 11.367 ( 0.000 -3.807 0.000) 3.807 11.433 ( 0.000 6.545 0.000) 6.545 11.744 ( 0.000 16.494 0.000) 16.494 11.827 ( 0.000 17.475 0.000) 17.475 12.121 ( 0.000 11.689 0.000) 11.689 12.322 ( 0.000 -8.720 0.000) 8.720 12.956 ( 0.000 -11.719 0.000) 11.719 13.031 ( 0.000 -14.702 0.000) 14.702 13.260 ( 0.000 14.131 0.000) 14.131 13.387 ( 0.000 3.349 0.000) 3.349 13.984 ( 0.000 5.718 0.000) 5.718 14.064 ( 0.000 -3.260 0.000) 3.260 14.196 ( 0.000 1.728 0.000) 1.728 14.253 ( 0.000 10.793 0.000) 10.793 14.513 ( 0.000 -3.245 0.000) 3.245 15.300 ( 0.000 26.829 0.000) 26.829 15.545 ( 0.000 15.453 0.000) 15.453 15.618 ( 0.000 16.527 0.000) 16.527 15.734 ( 0.000 13.821 0.000) 13.821 16.124 ( 0.000 8.746 0.000) 8.746 16.245 ( 0.000 0.796 0.000) 0.796 16.415 ( 0.000 1.211 0.000) 1.211 16.766 ( 0.000 -13.946 0.000) 13.946 17.051 ( 0.000 -12.782 0.000) 12.782 17.062 ( 0.000 -8.613 0.000) 8.613 17.344 ( 0.000 10.336 0.000) 10.336 17.509 ( 0.000 12.159 0.000) 12.159 18.003 ( 0.000 3.918 0.000) 3.918 18.676 ( 0.000 -4.408 0.000) 4.408 18.907 ( 0.000 -3.006 0.000) 3.006 19.016 ( 0.000 -6.720 0.000) 6.720 19.526 ( 0.000 2.066 0.000) 2.066 19.960 ( 0.000 -5.607 0.000) 5.607 19.969 ( 0.000 -7.159 0.000) 7.159 20.516 ( 0.000 -3.787 0.000) 3.787 20.875 ( 0.000 -3.369 0.000) 3.369 21.251 ( 0.000 10.630 0.000) 10.630 21.306 ( 0.000 -5.062 0.000) 5.062 21.396 ( 0.000 -17.688 0.000) 17.688 21.488 ( 0.000 -14.535 0.000) 14.535 22.129 ( 0.000 5.929 0.000) 5.929 22.641 ( 0.000 -5.877 0.000) 5.877 23.275 ( 0.000 -10.074 0.000) 10.074 ======================= Grid point 21 (14/81) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 2.174 12.241 0.000) 12.433 1.966 ( -1.719 12.466 0.000) 12.584 2.310 ( 4.708 12.598 0.000) 13.449 2.645 ( -1.778 10.720 0.000) 10.866 2.723 ( 3.698 -3.358 0.000) 4.995 2.829 ( -1.227 5.527 0.000) 5.661 3.014 ( -7.439 4.811 0.000) 8.859 3.049 ( -2.929 4.197 0.000) 5.118 3.083 ( -11.576 1.620 0.000) 11.688 3.131 ( -6.147 2.990 0.000) 6.835 3.248 ( 1.258 5.664 0.000) 5.802 3.350 ( 4.749 9.471 0.000) 10.595 3.403 ( 4.824 5.775 0.000) 7.525 3.659 ( -5.344 9.940 0.000) 11.285 3.680 ( 6.706 11.158 0.000) 13.018 3.879 ( -4.478 12.395 0.000) 13.179 3.882 ( 0.933 10.946 0.000) 10.986 3.995 ( -1.095 18.202 0.000) 18.235 4.229 ( 8.685 8.985 0.000) 12.496 4.254 ( -1.766 6.844 0.000) 7.068 4.537 ( 2.398 17.901 0.000) 18.061 4.740 ( -6.123 0.577 0.000) 6.150 4.773 ( 4.429 22.858 0.000) 23.283 4.950 ( -5.692 21.603 0.000) 22.341 4.962 ( 3.366 9.116 0.000) 9.717 5.306 ( 11.030 6.494 0.000) 12.800 5.373 ( 2.948 13.564 0.000) 13.881 5.489 ( 2.500 -4.725 0.000) 5.346 5.498 ( 4.131 4.755 0.000) 6.299 5.640 ( -13.707 14.606 0.000) 20.030 5.723 ( 6.512 21.773 0.000) 22.726 6.014 ( -2.198 14.034 0.000) 14.205 6.157 ( -2.568 12.431 0.000) 12.693 6.251 ( -4.870 17.437 0.000) 18.104 6.623 ( 8.537 1.409 0.000) 8.653 7.063 ( -3.363 -11.473 0.000) 11.956 9.053 ( -4.514 18.467 0.000) 19.010 9.091 ( -8.725 -3.824 0.000) 9.527 9.760 ( 14.657 -6.670 0.000) 16.103 9.989 ( 6.266 9.456 0.000) 11.344 11.081 ( 0.286 20.016 0.000) 20.018 11.376 ( 1.010 -3.815 0.000) 3.947 11.405 ( -4.129 6.756 0.000) 7.918 11.515 ( -8.920 15.606 0.000) 17.975 12.109 ( 15.284 17.623 0.000) 23.328 12.177 ( 5.198 13.115 0.000) 14.107 12.395 ( 6.338 -7.853 0.000) 10.092 12.831 ( -10.499 -6.880 0.000) 12.553 12.957 ( -4.236 -7.550 0.000) 8.657 13.277 ( -10.187 -0.747 0.000) 10.214 13.305 ( 1.633 11.788 0.000) 11.900 13.813 ( -11.851 2.783 0.000) 12.174 14.162 ( 0.635 3.459 0.000) 3.517 14.169 ( 5.374 1.194 0.000) 5.505 14.358 ( 6.112 5.212 0.000) 8.033 14.520 ( 0.575 -4.050 0.000) 4.091 15.238 ( -4.065 24.272 0.000) 24.610 15.436 ( -8.215 18.414 0.000) 20.164 15.627 ( 1.013 14.376 0.000) 14.412 15.752 ( 0.330 11.614 0.000) 11.619 16.190 ( -4.401 2.136 0.000) 4.892 16.212 ( 2.425 9.403 0.000) 9.710 16.397 ( 3.812 3.164 0.000) 4.954 16.831 ( 5.240 -13.390 0.000) 14.379 17.056 ( -0.619 -8.917 0.000) 8.939 17.134 ( 6.895 -10.236 0.000) 12.341 17.238 ( -9.334 12.573 0.000) 15.659 17.502 ( -1.400 11.392 0.000) 11.478 18.094 ( 8.272 -2.320 0.000) 8.592 18.657 ( -1.032 -6.125 0.000) 6.211 18.789 ( -8.994 -4.650 0.000) 10.125 18.972 ( -5.970 -8.474 0.000) 10.366 19.582 ( 6.430 5.152 0.000) 8.239 20.027 ( 4.927 -5.003 0.000) 7.022 20.051 ( 6.909 -3.296 0.000) 7.655 20.378 ( -12.078 5.322 0.000) 13.198 20.883 ( 1.040 -5.775 0.000) 5.868 21.158 ( -2.639 -10.869 0.000) 11.185 21.295 ( -1.085 -5.820 0.000) 5.920 21.365 ( -7.975 -14.059 0.000) 16.163 21.647 ( 13.463 -1.886 0.000) 13.595 22.111 ( -1.828 5.324 0.000) 5.629 22.736 ( 8.138 -6.781 0.000) 10.592 23.233 ( -3.990 -9.849 0.000) 10.626 ======================= Grid point 22 (15/81) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 2.735 9.840 0.000) 10.213 1.914 ( -2.990 10.993 0.000) 11.392 2.471 ( 10.592 15.167 0.000) 18.499 2.650 ( 1.084 13.848 0.000) 13.890 2.740 ( -8.630 10.571 0.000) 13.646 2.778 ( -1.935 1.557 0.000) 2.484 2.860 ( -4.717 4.894 0.000) 6.797 2.863 ( -2.203 0.925 0.000) 2.390 3.010 ( -1.480 1.180 0.000) 1.892 3.030 ( -3.485 0.774 0.000) 3.570 3.318 ( 5.428 6.483 0.000) 8.455 3.416 ( -1.114 8.838 0.000) 8.908 3.504 ( 4.418 3.633 0.000) 5.720 3.560 ( -2.692 3.851 0.000) 4.699 3.758 ( -0.399 13.494 0.000) 13.500 3.808 ( -5.839 12.002 0.000) 13.347 3.857 ( 3.758 11.328 0.000) 11.935 3.936 ( -3.235 14.336 0.000) 14.696 4.307 ( 4.628 3.848 0.000) 6.019 4.359 ( 1.683 4.475 0.000) 4.781 4.614 ( 3.680 13.948 0.000) 14.425 4.652 ( -1.314 10.197 0.000) 10.281 4.853 ( -2.859 23.120 0.000) 23.296 4.856 ( -0.255 25.082 0.000) 25.084 5.026 ( 8.300 20.665 0.000) 22.270 5.300 ( -15.258 22.383 0.000) 27.089 5.503 ( 7.137 7.637 0.000) 10.453 5.505 ( 5.127 -8.650 0.000) 10.055 5.548 ( 2.619 -7.319 0.000) 7.773 5.593 ( 2.159 7.627 0.000) 7.927 5.838 ( 3.308 21.683 0.000) 21.933 5.908 ( -5.825 18.589 0.000) 19.480 6.109 ( -0.710 14.885 0.000) 14.902 6.155 ( -4.178 18.871 0.000) 19.328 6.806 ( 8.497 -5.403 0.000) 10.070 6.962 ( -6.308 -9.358 0.000) 11.286 8.968 ( -2.836 3.895 0.000) 4.818 8.970 ( -2.621 11.579 0.000) 11.872 10.018 ( 8.680 -4.636 0.000) 9.841 10.088 ( 1.698 3.146 0.000) 3.575 11.117 ( 3.763 18.775 0.000) 19.148 11.244 ( -8.183 15.849 0.000) 17.836 11.406 ( 1.604 -1.374 0.000) 2.112 11.438 ( -1.552 4.116 0.000) 4.399 12.322 ( 8.175 14.096 0.000) 16.295 12.383 ( 8.334 17.866 0.000) 19.714 12.531 ( 4.690 -1.606 0.000) 4.957 12.603 ( -8.818 0.436 0.000) 8.828 12.904 ( -0.289 -3.824 0.000) 3.835 13.026 ( -11.628 -5.473 0.000) 12.852 13.344 ( 4.820 9.723 0.000) 10.852 13.543 ( -12.996 4.519 0.000) 13.759 14.216 ( 3.036 1.364 0.000) 3.328 14.240 ( 1.142 1.730 0.000) 2.073 14.467 ( 4.107 1.003 0.000) 4.228 14.521 ( -1.039 -3.289 0.000) 3.449 15.198 ( 0.847 22.445 0.000) 22.461 15.274 ( -6.338 21.612 0.000) 22.523 15.669 ( 3.025 9.781 0.000) 10.238 15.731 ( -2.260 8.687 0.000) 8.976 16.111 ( -1.918 4.680 0.000) 5.058 16.142 ( -4.487 5.287 0.000) 6.935 16.646 ( 15.658 11.458 0.000) 19.403 16.923 ( -1.375 -6.528 0.000) 6.671 17.001 ( -8.577 9.760 0.000) 12.993 17.028 ( -2.263 -8.972 0.000) 9.253 17.295 ( 7.897 -5.138 0.000) 9.421 17.435 ( -5.189 3.076 0.000) 6.032 18.315 ( 12.251 -7.246 0.000) 14.233 18.571 ( -11.847 -7.026 0.000) 13.773 18.676 ( 3.604 -8.383 0.000) 9.125 18.806 ( -8.325 -9.275 0.000) 12.464 19.785 ( 12.399 8.405 0.000) 14.979 20.063 ( -11.828 4.310 0.000) 12.588 20.154 ( 1.078 6.021 0.000) 6.117 20.165 ( 2.700 1.256 0.000) 2.978 20.942 ( 5.301 -12.298 0.000) 13.391 21.091 ( -7.057 -18.147 0.000) 19.471 21.235 ( -1.038 -8.889 0.000) 8.950 21.262 ( -1.961 -7.742 0.000) 7.986 21.894 ( 9.702 1.624 0.000) 9.837 22.044 ( -4.940 3.735 0.000) 6.193 22.930 ( 9.702 -8.182 0.000) 12.691 23.112 ( -7.537 -9.213 0.000) 11.903 ======================= Grid point 25 (16/81) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.000 8.281 0.000) 8.281 2.210 ( 0.000 10.799 0.000) 10.799 2.500 ( 0.000 12.337 0.000) 12.337 2.555 ( 0.000 -6.666 0.000) 6.666 2.800 ( 0.000 5.769 0.000) 5.769 2.959 ( 0.000 0.842 0.000) 0.842 3.061 ( 0.000 3.779 0.000) 3.779 3.111 ( 0.000 0.452 0.000) 0.452 3.287 ( 0.000 2.454 0.000) 2.454 3.335 ( 0.000 1.460 0.000) 1.460 3.413 ( 0.000 5.931 0.000) 5.931 3.415 ( 0.000 5.776 0.000) 5.776 3.452 ( 0.000 11.689 0.000) 11.689 3.737 ( 0.000 4.376 0.000) 4.376 3.847 ( 0.000 -1.773 0.000) 1.773 4.056 ( 0.000 11.480 0.000) 11.480 4.129 ( 0.000 -0.127 0.000) 0.127 4.178 ( 0.000 1.504 0.000) 1.504 4.216 ( 0.000 3.870 0.000) 3.870 4.348 ( 0.000 -0.236 0.000) 0.236 4.730 ( 0.000 -0.195 0.000) 0.195 4.734 ( 0.000 1.443 0.000) 1.443 4.969 ( 0.000 13.754 0.000) 13.754 5.295 ( 0.000 -3.250 0.000) 3.250 5.320 ( 0.000 7.695 0.000) 7.695 5.320 ( 0.000 26.483 0.000) 26.483 5.523 ( 0.000 19.300 0.000) 19.300 5.531 ( 0.000 7.096 0.000) 7.096 5.726 ( 0.000 14.468 0.000) 14.468 6.031 ( 0.000 2.048 0.000) 2.048 6.076 ( 0.000 7.962 0.000) 7.962 6.115 ( 0.000 24.057 0.000) 24.057 6.470 ( 0.000 15.588 0.000) 15.588 6.740 ( 0.000 23.776 0.000) 23.776 6.806 ( 0.000 19.480 0.000) 19.480 6.890 ( 0.000 -7.870 0.000) 7.870 9.076 ( 0.000 -6.620 0.000) 6.620 9.453 ( 0.000 -6.187 0.000) 6.187 9.619 ( 0.000 29.302 0.000) 29.302 10.102 ( 0.000 10.004 0.000) 10.004 11.230 ( 0.000 -3.073 0.000) 3.073 11.549 ( 0.000 5.892 0.000) 5.892 11.565 ( 0.000 21.624 0.000) 21.624 12.094 ( 0.000 17.549 0.000) 17.549 12.111 ( 0.000 -7.378 0.000) 7.378 12.210 ( 0.000 19.005 0.000) 19.005 12.288 ( 0.000 0.655 0.000) 0.655 12.707 ( 0.000 -12.880 0.000) 12.880 12.813 ( 0.000 -6.074 0.000) 6.074 13.452 ( 0.000 5.867 0.000) 5.867 13.481 ( 0.000 7.843 0.000) 7.843 13.959 ( 0.000 -7.122 0.000) 7.122 14.068 ( 0.000 2.168 0.000) 2.168 14.218 ( 0.000 2.358 0.000) 2.358 14.452 ( 0.000 10.039 0.000) 10.039 14.502 ( 0.000 1.855 0.000) 1.855 15.776 ( 0.000 8.735 0.000) 8.735 15.817 ( 0.000 24.200 0.000) 24.200 15.870 ( 0.000 9.020 0.000) 9.020 15.962 ( 0.000 9.481 0.000) 9.481 16.282 ( 0.000 2.649 0.000) 2.649 16.298 ( 0.000 8.491 0.000) 8.491 16.399 ( 0.000 -2.842 0.000) 2.842 16.491 ( 0.000 -13.219 0.000) 13.219 16.841 ( 0.000 -8.345 0.000) 8.345 16.907 ( 0.000 -6.970 0.000) 6.970 17.483 ( 0.000 4.122 0.000) 4.122 17.703 ( 0.000 6.358 0.000) 6.358 18.104 ( 0.000 6.134 0.000) 6.134 18.590 ( 0.000 -3.965 0.000) 3.965 18.825 ( 0.000 -5.330 0.000) 5.330 18.858 ( 0.000 -9.091 0.000) 9.091 19.513 ( 0.000 -2.891 0.000) 2.891 19.775 ( 0.000 -12.144 0.000) 12.144 19.833 ( 0.000 -6.005 0.000) 6.005 20.412 ( 0.000 -7.082 0.000) 7.082 20.873 ( 0.000 2.184 0.000) 2.184 21.063 ( 0.000 -16.068 0.000) 16.068 21.179 ( 0.000 -14.020 0.000) 14.020 21.237 ( 0.000 -2.717 0.000) 2.717 21.506 ( 0.000 12.030 0.000) 12.030 22.251 ( 0.000 6.506 0.000) 6.506 22.527 ( 0.000 -5.929 0.000) 5.929 23.090 ( 0.000 -8.896 0.000) 8.896 ======================= Grid point 26 (17/81) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.526 7.892 0.000) 7.909 2.187 ( -2.343 10.476 0.000) 10.735 2.559 ( 5.815 12.289 0.000) 13.595 2.634 ( 6.292 -5.431 0.000) 8.312 2.808 ( 1.281 6.320 0.000) 6.448 2.926 ( -3.170 2.525 0.000) 4.053 3.044 ( -1.670 2.218 0.000) 2.776 3.083 ( -4.041 0.211 0.000) 4.046 3.154 ( -6.623 5.127 0.000) 8.375 3.274 ( -10.044 9.415 0.000) 13.767 3.322 ( 0.188 2.800 0.000) 2.806 3.500 ( 4.222 4.669 0.000) 6.295 3.505 ( 2.529 7.526 0.000) 7.940 3.745 ( -7.118 0.300 0.000) 7.124 3.827 ( 6.877 3.682 0.000) 7.801 4.011 ( -4.772 1.335 0.000) 4.955 4.068 ( -3.306 5.732 0.000) 6.617 4.251 ( -3.801 7.880 0.000) 8.749 4.273 ( 3.072 -0.461 0.000) 3.107 4.353 ( 9.717 1.704 0.000) 9.866 4.716 ( -1.313 1.011 0.000) 1.658 4.733 ( 1.985 3.891 0.000) 4.368 5.094 ( 7.554 9.802 0.000) 12.375 5.267 ( -4.153 9.484 0.000) 10.353 5.271 ( 1.178 5.946 0.000) 6.061 5.389 ( 2.525 12.064 0.000) 12.325 5.472 ( -1.292 9.737 0.000) 9.823 5.661 ( 6.497 10.438 0.000) 12.295 5.731 ( 2.478 19.155 0.000) 19.315 5.851 ( -8.918 10.065 0.000) 13.447 6.185 ( 5.169 22.393 0.000) 22.982 6.209 ( 4.931 6.548 0.000) 8.197 6.442 ( -2.067 15.615 0.000) 15.751 6.679 ( -5.156 22.752 0.000) 23.329 6.804 ( -0.341 16.591 0.000) 16.594 6.874 ( -1.490 -6.497 0.000) 6.666 9.058 ( 0.071 0.343 0.000) 0.350 9.494 ( -9.804 26.046 0.000) 27.830 9.617 ( 13.353 -8.099 0.000) 15.617 10.156 ( 2.650 8.369 0.000) 8.779 11.267 ( 3.474 -2.864 0.000) 4.502 11.530 ( -1.786 5.619 0.000) 5.896 11.537 ( -1.747 21.544 0.000) 21.615 11.856 ( -12.451 18.619 0.000) 22.399 12.194 ( 6.923 -7.976 0.000) 10.561 12.363 ( 7.119 1.674 0.000) 7.313 12.474 ( 13.845 14.594 0.000) 20.116 12.650 ( -4.208 -8.037 0.000) 9.072 12.836 ( 2.059 -2.342 0.000) 3.118 13.281 ( -14.742 3.290 0.000) 15.105 13.512 ( 2.155 7.845 0.000) 8.136 13.821 ( -9.392 -2.686 0.000) 9.769 14.177 ( 5.721 0.280 0.000) 5.728 14.203 ( -0.690 2.830 0.000) 2.913 14.476 ( 1.631 7.082 0.000) 7.267 14.490 ( -0.798 0.795 0.000) 1.127 15.704 ( -6.842 21.696 0.000) 22.749 15.724 ( -4.061 11.361 0.000) 12.065 15.847 ( -1.941 7.718 0.000) 7.959 15.944 ( -2.218 7.940 0.000) 8.244 16.245 ( -2.597 3.081 0.000) 4.030 16.320 ( -4.477 1.871 0.000) 4.852 16.496 ( 13.833 5.693 0.000) 14.958 16.576 ( 6.790 -11.884 0.000) 13.687 16.874 ( 0.216 -8.942 0.000) 8.945 16.986 ( 9.151 -4.591 0.000) 10.238 17.407 ( -7.047 4.601 0.000) 8.416 17.723 ( -2.253 10.221 0.000) 10.467 18.039 ( -1.728 -3.442 0.000) 3.851 18.532 ( -4.047 -6.091 0.000) 7.313 18.673 ( -10.935 -7.208 0.000) 13.097 18.792 ( -7.656 -9.640 0.000) 12.310 19.617 ( 9.710 -0.940 0.000) 9.756 19.907 ( 10.553 -10.533 0.000) 14.910 19.933 ( 7.996 -3.952 0.000) 8.919 20.436 ( -0.313 0.346 0.000) 0.466 20.844 ( -2.681 1.083 0.000) 2.892 20.876 ( -10.823 -15.785 0.000) 19.139 21.116 ( -4.777 -12.173 0.000) 13.077 21.211 ( -2.500 -3.389 0.000) 4.212 21.706 ( 13.437 6.509 0.000) 14.930 22.223 ( -2.746 6.075 0.000) 6.667 22.606 ( 6.950 -6.594 0.000) 9.580 23.052 ( -3.646 -8.755 0.000) 9.484 ======================= Grid point 27 (18/81) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 3.323 8.538 0.000) 9.162 2.116 ( -4.193 9.731 0.000) 10.596 2.732 ( 10.347 10.823 0.000) 14.974 2.760 ( 5.036 -2.847 0.000) 5.785 2.845 ( -3.720 2.675 0.000) 4.582 2.867 ( 3.654 4.414 0.000) 5.730 2.957 ( -8.261 7.018 0.000) 10.839 2.967 ( -4.851 5.241 0.000) 7.142 3.066 ( -2.794 5.510 0.000) 6.178 3.082 ( -5.387 7.685 0.000) 9.386 3.381 ( 5.527 1.479 0.000) 5.722 3.508 ( -4.337 2.236 0.000) 4.880 3.575 ( 3.076 4.154 0.000) 5.169 3.624 ( -2.856 3.410 0.000) 4.448 3.899 ( -0.428 1.729 0.000) 1.781 3.945 ( -5.609 1.976 0.000) 5.947 4.019 ( 5.760 4.660 0.000) 7.409 4.136 ( -5.197 5.312 0.000) 7.432 4.408 ( 6.163 7.006 0.000) 9.331 4.482 ( 0.597 6.802 0.000) 6.828 4.726 ( 3.333 -2.137 0.000) 3.959 4.775 ( 0.405 1.483 0.000) 1.537 5.170 ( 0.047 8.929 0.000) 8.929 5.187 ( -2.729 10.237 0.000) 10.594 5.353 ( 5.299 0.076 0.000) 5.300 5.437 ( -2.624 3.061 0.000) 4.032 5.443 ( 4.872 14.290 0.000) 15.098 5.600 ( -9.093 10.890 0.000) 14.187 5.839 ( 5.554 20.435 0.000) 21.176 5.851 ( 4.558 16.362 0.000) 16.985 6.239 ( -0.622 17.923 0.000) 17.934 6.243 ( -1.044 14.100 0.000) 14.139 6.452 ( 4.061 18.680 0.000) 19.117 6.561 ( -5.682 20.286 0.000) 21.066 6.803 ( 0.661 7.282 0.000) 7.311 6.835 ( -2.084 -1.989 0.000) 2.880 9.117 ( 5.722 11.013 0.000) 12.411 9.282 ( -9.745 19.924 0.000) 22.180 9.916 ( 13.754 -5.702 0.000) 14.889 10.130 ( -5.984 1.494 0.000) 6.167 11.367 ( 5.807 -1.969 0.000) 6.132 11.475 ( -3.839 2.322 0.000) 4.487 11.532 ( 1.861 22.432 0.000) 22.509 11.635 ( -8.315 20.684 0.000) 22.293 12.352 ( 7.511 -8.721 0.000) 11.510 12.495 ( -6.415 -9.888 0.000) 11.787 12.578 ( 13.455 3.645 0.000) 13.940 12.764 ( 7.935 18.402 0.000) 20.040 12.876 ( 0.545 3.604 0.000) 3.645 12.932 ( -16.159 -2.080 0.000) 16.292 13.540 ( 1.093 8.943 0.000) 9.010 13.626 ( -7.900 3.378 0.000) 8.592 14.216 ( 1.803 0.607 0.000) 1.902 14.243 ( 0.326 -0.226 0.000) 0.396 14.486 ( 0.504 -0.151 0.000) 0.526 14.495 ( 0.065 2.398 0.000) 2.399 15.620 ( -0.971 19.333 0.000) 19.357 15.646 ( -2.926 15.953 0.000) 16.219 15.824 ( 0.501 5.634 0.000) 5.656 15.875 ( -3.809 5.786 0.000) 6.928 16.204 ( -0.765 4.589 0.000) 4.653 16.230 ( -3.257 4.138 0.000) 5.266 16.723 ( 6.456 -9.800 0.000) 11.735 16.788 ( 6.498 -0.752 0.000) 6.541 16.884 ( 7.433 -4.432 0.000) 8.654 17.184 ( -14.311 3.260 0.000) 14.678 17.231 ( 13.577 0.350 0.000) 13.581 17.524 ( -13.903 7.251 0.000) 15.680 18.158 ( 10.976 -9.030 0.000) 14.213 18.418 ( -13.155 -8.618 0.000) 15.726 18.499 ( 1.971 -9.100 0.000) 9.311 18.611 ( -8.132 -10.236 0.000) 13.072 19.868 ( 13.100 0.801 0.000) 13.124 20.050 ( -0.517 -2.009 0.000) 2.075 20.132 ( 9.720 -5.466 0.000) 11.152 20.309 ( -9.309 5.792 0.000) 10.964 20.757 ( -1.814 -15.224 0.000) 15.331 20.775 ( -3.202 -4.043 0.000) 5.157 21.065 ( 1.264 -8.506 0.000) 8.599 21.138 ( -4.325 -5.414 0.000) 6.929 21.960 ( 10.474 4.788 0.000) 11.517 22.132 ( -6.191 5.169 0.000) 8.065 22.777 ( 8.692 -7.633 0.000) 11.567 22.942 ( -6.884 -8.345 0.000) 10.818 ======================= Grid point 30 (19/81) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.000 5.018 0.000) 5.018 2.406 ( 0.000 9.384 0.000) 9.384 2.430 ( 0.000 -5.962 0.000) 5.962 2.719 ( 0.000 9.844 0.000) 9.844 2.901 ( 0.000 -4.429 0.000) 4.429 2.918 ( 0.000 6.546 0.000) 6.546 3.102 ( 0.000 -1.272 0.000) 1.272 3.194 ( 0.000 7.006 0.000) 7.006 3.358 ( 0.000 1.727 0.000) 1.727 3.358 ( 0.000 4.365 0.000) 4.365 3.510 ( 0.000 3.519 0.000) 3.519 3.540 ( 0.000 7.174 0.000) 7.174 3.647 ( 0.000 8.247 0.000) 8.247 3.773 ( 0.000 -0.177 0.000) 0.177 3.795 ( 0.000 -2.652 0.000) 2.652 4.024 ( 0.000 -6.980 0.000) 6.980 4.139 ( 0.000 -3.023 0.000) 3.023 4.168 ( 0.000 -2.285 0.000) 2.285 4.204 ( 0.000 -3.385 0.000) 3.385 4.386 ( 0.000 4.310 0.000) 4.310 4.662 ( 0.000 -5.221 0.000) 5.221 4.851 ( 0.000 7.873 0.000) 7.873 5.195 ( 0.000 8.612 0.000) 8.612 5.322 ( 0.000 5.475 0.000) 5.475 5.329 ( 0.000 -4.401 0.000) 4.401 5.611 ( 0.000 1.537 0.000) 1.537 5.717 ( 0.000 10.163 0.000) 10.163 5.820 ( 0.000 10.888 0.000) 10.888 6.067 ( 0.000 21.028 0.000) 21.028 6.138 ( 0.000 7.762 0.000) 7.762 6.206 ( 0.000 6.324 0.000) 6.324 6.502 ( 0.000 15.180 0.000) 15.180 6.756 ( 0.000 13.107 0.000) 13.107 6.842 ( 0.000 3.048 0.000) 3.048 7.158 ( 0.000 18.484 0.000) 18.484 7.179 ( 0.000 17.300 0.000) 17.300 8.988 ( 0.000 -2.605 0.000) 2.605 9.301 ( 0.000 -8.948 0.000) 8.948 10.200 ( 0.000 29.228 0.000) 29.228 10.318 ( 0.000 12.595 0.000) 12.595 11.193 ( 0.000 0.314 0.000) 0.314 11.611 ( 0.000 -1.224 0.000) 1.224 11.945 ( 0.000 -10.344 0.000) 10.344 11.956 ( 0.000 17.134 0.000) 17.134 12.220 ( 0.000 -10.307 0.000) 10.307 12.273 ( 0.000 -0.523 0.000) 0.523 12.545 ( 0.000 16.926 0.000) 16.926 12.631 ( 0.000 10.286 0.000) 10.286 12.805 ( 0.000 4.434 0.000) 4.434 13.534 ( 0.000 -2.468 0.000) 2.468 13.616 ( 0.000 4.601 0.000) 4.601 13.860 ( 0.000 3.375 0.000) 3.375 14.038 ( 0.000 -5.832 0.000) 5.832 14.337 ( 0.000 9.824 0.000) 9.824 14.561 ( 0.000 3.186 0.000) 3.186 14.636 ( 0.000 8.390 0.000) 8.390 15.903 ( 0.000 4.669 0.000) 4.669 15.973 ( 0.000 2.377 0.000) 2.377 16.093 ( 0.000 3.645 0.000) 3.645 16.197 ( 0.000 12.736 0.000) 12.736 16.288 ( 0.000 -6.633 0.000) 6.633 16.324 ( 0.000 -2.512 0.000) 2.512 16.335 ( 0.000 2.430 0.000) 2.430 16.438 ( 0.000 5.706 0.000) 5.706 16.738 ( 0.000 -2.441 0.000) 2.441 16.797 ( 0.000 -4.370 0.000) 4.370 17.528 ( 0.000 1.111 0.000) 1.111 17.738 ( 0.000 -2.159 0.000) 2.159 18.228 ( 0.000 6.422 0.000) 6.422 18.529 ( 0.000 -2.476 0.000) 2.476 18.681 ( 0.000 -8.566 0.000) 8.566 18.706 ( 0.000 -6.615 0.000) 6.615 19.436 ( 0.000 -4.528 0.000) 4.528 19.540 ( 0.000 -11.033 0.000) 11.033 19.753 ( 0.000 -2.183 0.000) 2.183 20.235 ( 0.000 -11.070 0.000) 11.070 20.799 ( 0.000 -10.526 0.000) 10.526 20.923 ( 0.000 -11.778 0.000) 11.778 20.926 ( 0.000 2.805 0.000) 2.805 21.180 ( 0.000 -3.381 0.000) 3.381 21.736 ( 0.000 11.231 0.000) 11.231 22.378 ( 0.000 6.533 0.000) 6.533 22.407 ( 0.000 -6.498 0.000) 6.498 22.927 ( 0.000 -8.005 0.000) 8.005 ======================= Grid point 31 (20/81) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 1.221 5.703 0.000) 5.832 2.376 ( -2.908 9.010 0.000) 9.468 2.521 ( 7.238 -5.894 0.000) 9.334 2.769 ( 4.609 9.034 0.000) 10.142 2.869 ( -2.147 -2.821 0.000) 3.545 2.940 ( 1.090 4.275 0.000) 4.412 3.076 ( -2.293 -0.910 0.000) 2.467 3.150 ( -3.851 6.165 0.000) 7.269 3.272 ( -2.897 6.910 0.000) 7.493 3.375 ( -0.508 2.912 0.000) 2.956 3.457 ( -6.958 9.357 0.000) 11.660 3.584 ( 4.830 3.676 0.000) 6.069 3.632 ( -2.489 4.253 0.000) 4.928 3.750 ( -2.434 2.352 0.000) 3.385 3.842 ( 4.999 -1.579 0.000) 5.243 3.977 ( -1.618 -3.345 0.000) 3.716 4.078 ( -7.810 -3.021 0.000) 8.375 4.188 ( 0.074 -5.893 0.000) 5.894 4.281 ( 8.532 -6.586 0.000) 10.778 4.428 ( 4.359 7.172 0.000) 8.393 4.685 ( 1.352 -6.349 0.000) 6.491 4.821 ( -2.773 7.560 0.000) 8.052 5.266 ( 4.493 3.657 0.000) 5.793 5.314 ( 0.665 8.202 0.000) 8.229 5.316 ( -1.322 -2.652 0.000) 2.963 5.610 ( 0.439 2.662 0.000) 2.698 5.668 ( -3.891 9.767 0.000) 10.514 5.827 ( -1.204 6.155 0.000) 6.271 6.087 ( 0.019 12.929 0.000) 12.929 6.128 ( 5.168 20.871 0.000) 21.502 6.316 ( 6.451 5.264 0.000) 8.326 6.534 ( 1.522 12.883 0.000) 12.973 6.729 ( -0.973 13.287 0.000) 13.323 6.864 ( 1.900 5.398 0.000) 5.723 7.083 ( -6.428 18.181 0.000) 19.284 7.150 ( -3.145 16.617 0.000) 16.912 9.093 ( 9.804 2.850 0.000) 10.210 9.453 ( 13.767 -8.420 0.000) 16.138 10.019 ( -13.214 26.600 0.000) 29.701 10.337 ( -2.588 10.714 0.000) 11.022 11.224 ( 3.041 -0.444 0.000) 3.073 11.573 ( -3.735 -2.240 0.000) 4.355 11.939 ( -0.171 17.834 0.000) 17.835 12.000 ( 4.361 -11.316 0.000) 12.127 12.160 ( -4.818 3.022 0.000) 5.687 12.373 ( 8.939 0.666 0.000) 8.964 12.382 ( -8.061 -0.288 0.000) 8.066 12.835 ( 10.400 13.283 0.000) 16.871 12.877 ( 6.151 5.584 0.000) 8.308 13.444 ( -15.433 11.534 0.000) 19.267 13.566 ( 2.975 -2.322 0.000) 3.774 13.725 ( -5.802 -5.764 0.000) 8.178 14.183 ( 7.041 0.449 0.000) 7.055 14.328 ( -0.900 10.005 0.000) 10.045 14.531 ( -2.271 2.463 0.000) 3.351 14.619 ( -1.879 7.015 0.000) 7.262 15.890 ( -0.855 6.033 0.000) 6.094 15.927 ( -4.049 1.598 0.000) 4.353 16.043 ( -7.951 11.849 0.000) 14.269 16.052 ( -3.806 3.026 0.000) 4.863 16.290 ( -0.234 0.928 0.000) 0.957 16.341 ( 0.042 1.317 0.000) 1.318 16.410 ( 6.757 -4.200 0.000) 7.956 16.541 ( 7.442 -0.665 0.000) 7.472 16.753 ( -0.161 -3.339 0.000) 3.343 16.948 ( 13.970 -0.063 0.000) 13.970 17.444 ( -8.745 0.100 0.000) 8.745 17.803 ( 6.099 -4.423 0.000) 7.534 18.025 ( -16.375 4.566 0.000) 17.000 18.434 ( -7.039 -3.989 0.000) 8.090 18.519 ( -11.913 -7.994 0.000) 14.347 18.615 ( -8.720 -8.351 0.000) 12.074 19.569 ( 11.609 -3.479 0.000) 12.119 19.694 ( 12.364 -10.219 0.000) 16.040 19.884 ( 9.856 -1.088 0.000) 9.916 20.364 ( 10.220 -8.616 0.000) 13.368 20.632 ( -13.738 -7.405 0.000) 15.607 20.887 ( -3.897 2.590 0.000) 4.679 20.891 ( -2.188 -10.743 0.000) 10.964 21.145 ( -3.456 -3.705 0.000) 5.067 21.857 ( 9.772 8.507 0.000) 12.956 22.344 ( -3.313 6.302 0.000) 7.120 22.476 ( 6.146 -6.875 0.000) 9.222 22.891 ( -3.477 -7.963 0.000) 8.689 ======================= Grid point 32 (21/81) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 4.606 7.217 0.000) 8.562 2.291 ( -5.036 8.321 0.000) 9.726 2.675 ( 6.941 -5.454 0.000) 8.828 2.799 ( -4.856 -4.550 0.000) 6.654 2.888 ( 5.879 5.585 0.000) 8.109 2.958 ( -0.088 3.489 0.000) 3.490 3.043 ( -0.464 2.479 0.000) 2.522 3.065 ( -3.357 4.996 0.000) 6.019 3.232 ( -0.257 10.602 0.000) 10.605 3.303 ( -6.662 12.468 0.000) 14.136 3.413 ( 4.326 2.364 0.000) 4.930 3.531 ( -6.285 1.037 0.000) 6.370 3.669 ( 3.480 5.337 0.000) 6.371 3.722 ( -1.295 6.667 0.000) 6.791 3.879 ( -0.130 -2.650 0.000) 2.653 3.923 ( -5.300 -3.148 0.000) 6.165 4.041 ( 6.035 -1.798 0.000) 6.298 4.149 ( -3.806 -3.333 0.000) 5.060 4.467 ( 8.122 -9.141 0.000) 12.228 4.532 ( 3.326 1.742 0.000) 3.755 4.689 ( -0.394 -4.547 0.000) 4.564 4.742 ( -4.477 6.081 0.000) 7.551 5.269 ( -0.552 1.885 0.000) 1.964 5.282 ( -1.561 0.581 0.000) 1.665 5.433 ( 7.180 8.028 0.000) 10.771 5.569 ( -5.690 8.281 0.000) 10.047 5.652 ( 3.701 4.498 0.000) 5.825 5.750 ( -5.139 4.278 0.000) 6.687 6.159 ( 5.149 14.815 0.000) 15.684 6.216 ( 1.270 17.433 0.000) 17.479 6.433 ( 4.517 6.932 0.000) 8.274 6.508 ( -3.116 9.903 0.000) 10.382 6.774 ( 5.105 14.518 0.000) 15.390 6.920 ( -8.359 17.006 0.000) 18.950 6.934 ( 5.052 10.482 0.000) 11.636 7.054 ( -5.801 14.545 0.000) 15.659 9.367 ( 15.702 13.599 0.000) 20.772 9.707 ( -16.356 22.563 0.000) 27.868 9.811 ( 19.009 -4.624 0.000) 19.563 10.166 ( -13.675 2.652 0.000) 13.930 11.320 ( 6.073 -2.235 0.000) 6.471 11.459 ( -6.772 -3.349 0.000) 7.555 11.968 ( 3.070 21.216 0.000) 21.437 12.055 ( -4.974 18.903 0.000) 19.546 12.111 ( 5.876 -14.923 0.000) 16.038 12.235 ( -6.268 -13.657 0.000) 15.027 12.618 ( 14.226 1.937 0.000) 14.357 12.901 ( -8.350 1.992 0.000) 8.585 13.018 ( 6.580 9.008 0.000) 11.155 13.146 ( -8.515 16.411 0.000) 18.489 13.633 ( 2.469 -0.081 0.000) 2.471 13.656 ( -0.982 -0.355 0.000) 1.044 14.268 ( 1.652 3.268 0.000) 3.662 14.298 ( -1.766 8.189 0.000) 8.377 14.508 ( 0.809 1.860 0.000) 2.028 14.558 ( -3.433 3.680 0.000) 5.032 15.872 ( 0.277 3.237 0.000) 3.249 15.884 ( 0.451 8.475 0.000) 8.487 15.936 ( -3.054 9.197 0.000) 9.691 15.954 ( -4.883 2.568 0.000) 5.518 16.284 ( 0.184 3.595 0.000) 3.600 16.309 ( -2.080 4.019 0.000) 4.525 16.573 ( 7.942 -5.312 0.000) 9.555 16.703 ( -3.514 -4.601 0.000) 5.790 16.792 ( 15.111 -4.955 0.000) 15.902 17.157 ( -17.749 -3.485 0.000) 18.088 17.284 ( 17.363 2.110 0.000) 17.490 17.654 ( -18.209 2.118 0.000) 18.332 17.986 ( 11.200 -6.091 0.000) 12.749 18.248 ( -13.515 -7.958 0.000) 15.684 18.347 ( -0.034 -6.412 0.000) 6.412 18.431 ( -7.457 -8.068 0.000) 10.986 19.843 ( 12.950 -2.765 0.000) 13.242 19.981 ( 14.728 -8.479 0.000) 16.994 20.008 ( -0.847 -2.070 0.000) 2.237 20.306 ( -16.407 -6.904 0.000) 17.800 20.576 ( 9.528 -2.019 0.000) 9.739 20.762 ( -7.965 1.466 0.000) 8.098 20.907 ( 4.701 -7.656 0.000) 8.984 21.039 ( -6.495 -4.928 0.000) 8.152 22.069 ( 9.696 6.238 0.000) 11.529 22.240 ( -6.666 5.907 0.000) 8.907 22.631 ( 8.039 -7.469 0.000) 10.973 22.786 ( -6.524 -7.816 0.000) 10.181 ======================= Grid point 35 (22/81) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.000 3.363 0.000) 3.363 2.329 ( 0.000 -4.332 0.000) 4.332 2.572 ( 0.000 7.592 0.000) 7.592 2.808 ( 0.000 -5.045 0.000) 5.045 2.878 ( 0.000 6.621 0.000) 6.621 3.057 ( 0.000 7.610 0.000) 7.610 3.060 ( 0.000 -3.059 0.000) 3.059 3.272 ( 0.000 -0.011 0.000) 0.011 3.388 ( 0.000 2.150 0.000) 2.150 3.464 ( 0.000 3.978 0.000) 3.978 3.543 ( 0.000 1.334 0.000) 1.334 3.691 ( 0.000 8.213 0.000) 8.213 3.738 ( 0.000 -3.462 0.000) 3.462 3.772 ( 0.000 4.595 0.000) 4.595 3.784 ( 0.000 2.071 0.000) 2.071 3.949 ( 0.000 0.122 0.000) 0.122 4.022 ( 0.000 -7.697 0.000) 7.697 4.099 ( 0.000 -4.536 0.000) 4.536 4.135 ( 0.000 -2.520 0.000) 2.520 4.334 ( 0.000 -9.436 0.000) 9.436 4.718 ( 0.000 11.228 0.000) 11.228 4.991 ( 0.000 6.353 0.000) 6.353 5.219 ( 0.000 -6.129 0.000) 6.129 5.229 ( 0.000 -6.970 0.000) 6.970 5.446 ( 0.000 5.973 0.000) 5.973 5.556 ( 0.000 -2.392 0.000) 2.392 5.885 ( 0.000 6.698 0.000) 6.698 5.955 ( 0.000 3.504 0.000) 3.504 6.280 ( 0.000 5.908 0.000) 5.908 6.315 ( 0.000 4.183 0.000) 4.183 6.445 ( 0.000 16.238 0.000) 16.238 6.692 ( 0.000 4.285 0.000) 4.285 6.950 ( 0.000 5.964 0.000) 5.964 6.957 ( 0.000 7.077 0.000) 7.077 7.438 ( 0.000 9.993 0.000) 9.993 7.444 ( 0.000 9.554 0.000) 9.554 8.968 ( 0.000 0.485 0.000) 0.485 9.131 ( 0.000 -7.924 0.000) 7.924 10.588 ( 0.000 14.658 0.000) 14.658 10.699 ( 0.000 19.918 0.000) 19.918 11.263 ( 0.000 6.983 0.000) 6.983 11.512 ( 0.000 -6.127 0.000) 6.127 11.709 ( 0.000 -13.352 0.000) 13.352 11.902 ( 0.000 -18.828 0.000) 18.828 12.205 ( 0.000 8.386 0.000) 8.386 12.287 ( 0.000 1.382 0.000) 1.382 12.895 ( 0.000 13.473 0.000) 13.473 12.901 ( 0.000 18.443 0.000) 18.443 12.956 ( 0.000 10.544 0.000) 10.544 13.409 ( 0.000 -9.579 0.000) 9.579 13.524 ( 0.000 -7.276 0.000) 7.276 13.838 ( 0.000 -14.342 0.000) 14.342 14.149 ( 0.000 18.600 0.000) 18.600 14.557 ( 0.000 11.341 0.000) 11.341 14.582 ( 0.000 -2.028 0.000) 2.028 14.752 ( 0.000 2.900 0.000) 2.900 15.972 ( 0.000 2.770 0.000) 2.770 16.006 ( 0.000 1.966 0.000) 1.966 16.086 ( 0.000 -3.139 0.000) 3.139 16.175 ( 0.000 -5.895 0.000) 5.895 16.266 ( 0.000 2.965 0.000) 2.965 16.363 ( 0.000 0.149 0.000) 0.149 16.452 ( 0.000 7.030 0.000) 7.030 16.514 ( 0.000 2.129 0.000) 2.129 16.724 ( 0.000 0.250 0.000) 0.250 16.738 ( 0.000 -1.571 0.000) 1.571 17.544 ( 0.000 0.947 0.000) 0.947 17.659 ( 0.000 -4.874 0.000) 4.874 18.347 ( 0.000 5.564 0.000) 5.564 18.487 ( 0.000 -2.085 0.000) 2.085 18.548 ( 0.000 -4.606 0.000) 4.606 18.584 ( 0.000 -5.471 0.000) 5.471 19.354 ( 0.000 -3.485 0.000) 3.485 19.373 ( 0.000 -5.783 0.000) 5.783 19.746 ( 0.000 1.575 0.000) 1.575 20.006 ( 0.000 -11.484 0.000) 11.484 20.660 ( 0.000 -3.889 0.000) 3.889 20.734 ( 0.000 -7.444 0.000) 7.444 20.978 ( 0.000 2.639 0.000) 2.639 21.107 ( 0.000 -3.957 0.000) 3.957 21.939 ( 0.000 9.765 0.000) 9.765 22.272 ( 0.000 -7.444 0.000) 7.444 22.505 ( 0.000 6.633 0.000) 6.633 22.777 ( 0.000 -7.437 0.000) 7.437 ======================= Grid point 36 (23/81) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 2.853 4.743 0.000) 5.535 2.411 ( 6.568 -5.368 0.000) 8.483 2.536 ( -3.331 7.483 0.000) 8.191 2.780 ( -2.751 -5.333 0.000) 6.000 2.910 ( 2.791 5.653 0.000) 6.304 3.048 ( -0.507 -1.946 0.000) 2.011 3.050 ( -0.681 6.126 0.000) 6.164 3.219 ( -4.535 0.130 0.000) 4.536 3.400 ( 1.484 5.141 0.000) 5.351 3.444 ( -0.849 4.258 0.000) 4.342 3.623 ( 6.206 0.567 0.000) 6.232 3.639 ( -4.318 9.269 0.000) 10.226 3.688 ( -4.899 3.494 0.000) 6.018 3.780 ( 3.148 -4.520 0.000) 5.508 3.834 ( 1.597 3.411 0.000) 3.767 3.947 ( 0.513 1.387 0.000) 1.479 4.011 ( -4.920 -3.921 0.000) 6.291 4.059 ( -1.859 -4.566 0.000) 4.930 4.148 ( 4.233 -6.808 0.000) 8.017 4.372 ( 1.670 -11.188 0.000) 11.312 4.735 ( 1.798 11.232 0.000) 11.376 4.963 ( -2.635 6.854 0.000) 7.343 5.222 ( 0.156 -6.213 0.000) 6.215 5.230 ( -0.287 -8.150 0.000) 8.155 5.476 ( 3.371 6.825 0.000) 7.612 5.593 ( 3.260 -1.247 0.000) 3.491 5.828 ( -4.731 6.374 0.000) 7.938 5.906 ( -4.384 2.152 0.000) 4.884 6.302 ( 3.402 8.572 0.000) 9.223 6.402 ( 6.134 2.912 0.000) 6.790 6.484 ( 2.806 14.815 0.000) 15.078 6.696 ( -0.606 4.028 0.000) 4.073 6.942 ( 0.960 8.367 0.000) 8.422 6.997 ( 3.520 5.743 0.000) 6.735 7.365 ( -6.275 10.474 0.000) 12.210 7.402 ( -4.338 8.731 0.000) 9.749 9.151 ( 16.720 2.900 0.000) 16.970 9.307 ( 16.232 -6.280 0.000) 17.405 10.461 ( -12.174 17.232 0.000) 21.099 10.582 ( -11.333 13.486 0.000) 17.615 11.278 ( 1.430 6.331 0.000) 6.490 11.477 ( -3.153 -4.713 0.000) 5.670 11.734 ( 2.219 -14.392 0.000) 14.562 11.887 ( -1.374 -19.342 0.000) 19.390 12.234 ( 3.283 11.153 0.000) 11.627 12.396 ( 9.471 0.913 0.000) 9.515 12.678 ( -10.210 18.894 0.000) 21.476 13.029 ( 6.527 9.749 0.000) 11.732 13.037 ( 1.023 5.933 0.000) 6.021 13.449 ( 3.805 -9.010 0.000) 9.780 13.539 ( 1.821 -1.407 0.000) 2.301 13.684 ( -10.805 -0.667 0.000) 10.826 14.247 ( 6.405 7.841 0.000) 10.125 14.545 ( -1.364 10.795 0.000) 10.881 14.546 ( -2.645 -1.879 0.000) 3.244 14.721 ( -3.303 2.707 0.000) 4.271 15.952 ( -4.096 1.899 0.000) 4.515 15.974 ( 0.244 3.107 0.000) 3.116 16.065 ( -2.419 -1.260 0.000) 2.727 16.112 ( -4.688 -3.274 0.000) 5.719 16.305 ( 3.038 1.938 0.000) 3.604 16.386 ( 2.858 -0.359 0.000) 2.881 16.421 ( -0.338 5.761 0.000) 5.771 16.525 ( 1.113 -0.708 0.000) 1.319 16.736 ( 1.364 2.022 0.000) 2.440 16.930 ( 13.975 -2.877 0.000) 14.268 17.445 ( -10.266 0.817 0.000) 10.299 17.648 ( -1.835 -8.987 0.000) 9.173 18.150 ( -13.265 6.856 0.000) 14.933 18.363 ( -9.172 -3.823 0.000) 9.937 18.398 ( -11.498 -3.763 0.000) 12.098 18.471 ( -9.118 -6.230 0.000) 11.043 19.501 ( 12.530 -2.902 0.000) 12.862 19.538 ( 13.113 -5.568 0.000) 14.246 19.893 ( 10.199 2.188 0.000) 10.431 20.154 ( 9.658 -10.921 0.000) 14.579 20.569 ( -6.317 -0.389 0.000) 6.329 20.710 ( -1.109 -7.669 0.000) 7.749 20.936 ( -4.083 2.622 0.000) 4.852 21.068 ( -3.883 -4.069 0.000) 5.625 22.024 ( 7.299 8.511 0.000) 11.212 22.337 ( 5.818 -7.476 0.000) 9.473 22.469 ( -3.539 6.580 0.000) 7.471 22.741 ( -3.467 -7.465 0.000) 8.231 ======================= Grid point 37 (24/81) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 5.823 6.398 0.000) 8.651 2.441 ( -5.669 7.154 0.000) 9.128 2.559 ( 7.178 -6.214 0.000) 9.494 2.693 ( -5.516 -5.991 0.000) 8.143 2.973 ( 2.970 3.596 0.000) 4.664 3.026 ( -1.830 3.583 0.000) 4.023 3.062 ( 1.842 -0.459 0.000) 1.898 3.121 ( -4.070 0.434 0.000) 4.093 3.436 ( 2.830 9.375 0.000) 9.793 3.480 ( 3.921 4.358 0.000) 5.862 3.533 ( -5.672 10.597 0.000) 12.019 3.577 ( -5.279 3.905 0.000) 6.566 3.749 ( 5.545 1.184 0.000) 5.670 3.832 ( 1.608 -1.633 0.000) 2.292 3.845 ( -1.047 -1.686 0.000) 1.985 3.873 ( -5.560 5.183 0.000) 7.601 3.989 ( 3.153 -1.396 0.000) 3.448 4.043 ( -1.566 -5.758 0.000) 5.967 4.256 ( 5.749 -11.005 0.000) 12.416 4.358 ( -3.245 -13.141 0.000) 13.536 4.797 ( 4.057 10.390 0.000) 11.154 4.888 ( -4.331 8.381 0.000) 9.434 5.221 ( -0.260 -7.331 0.000) 7.335 5.221 ( -0.159 -6.432 0.000) 6.434 5.580 ( 6.164 6.281 0.000) 8.800 5.681 ( 5.075 0.184 0.000) 5.078 5.712 ( -6.210 5.913 0.000) 8.575 5.796 ( -5.767 1.041 0.000) 5.861 6.404 ( 5.667 9.911 0.000) 11.417 6.499 ( -2.375 11.350 0.000) 11.596 6.534 ( 6.094 2.983 0.000) 6.785 6.643 ( -4.232 3.849 0.000) 5.720 7.023 ( 6.933 10.410 0.000) 12.508 7.115 ( 7.505 6.352 0.000) 9.832 7.200 ( -9.076 11.016 0.000) 14.273 7.277 ( -7.410 7.471 0.000) 10.522 9.598 ( 24.620 9.111 0.000) 26.252 9.746 ( 24.363 -2.114 0.000) 24.454 10.098 ( -22.079 15.829 0.000) 27.167 10.237 ( -21.342 4.266 0.000) 21.764 11.323 ( 2.931 3.767 0.000) 4.773 11.397 ( -4.077 -0.706 0.000) 4.137 11.790 ( 2.942 -16.924 0.000) 17.178 11.847 ( -2.433 -19.198 0.000) 19.351 12.337 ( 6.325 15.813 0.000) 17.031 12.487 ( -8.184 18.798 0.000) 20.502 12.646 ( 13.788 -0.259 0.000) 13.790 12.919 ( -11.059 -1.855 0.000) 11.213 13.199 ( 9.378 9.682 0.000) 13.479 13.412 ( -11.151 10.527 0.000) 15.336 13.557 ( 5.816 -6.834 0.000) 8.974 13.625 ( 0.504 -2.446 0.000) 2.498 14.366 ( 5.479 6.239 0.000) 8.303 14.484 ( -4.873 9.173 0.000) 10.387 14.530 ( 2.089 -0.286 0.000) 2.109 14.618 ( -5.680 1.914 0.000) 5.994 15.911 ( 1.221 2.367 0.000) 2.663 15.980 ( -2.049 2.052 0.000) 2.900 15.991 ( -1.563 1.604 0.000) 2.239 16.028 ( -3.064 -0.094 0.000) 3.066 16.347 ( 1.429 3.227 0.000) 3.529 16.386 ( -2.354 3.885 0.000) 4.542 16.499 ( 6.675 -3.452 0.000) 7.515 16.587 ( 0.304 -7.029 0.000) 7.036 16.811 ( 9.568 7.476 0.000) 12.143 17.130 ( -18.102 2.280 0.000) 18.245 17.234 ( 14.608 -7.720 0.000) 16.522 17.515 ( -11.507 -12.996 0.000) 17.358 18.010 ( 1.587 5.862 0.000) 6.073 18.155 ( -10.659 -1.006 0.000) 10.707 18.239 ( -1.540 -5.190 0.000) 5.413 18.295 ( -6.445 -6.067 0.000) 8.852 19.786 ( 13.278 -2.293 0.000) 13.474 19.843 ( 15.481 -5.353 0.000) 16.380 19.983 ( -3.687 -0.041 0.000) 3.687 20.141 ( -11.410 -7.993 0.000) 13.931 20.598 ( 9.392 2.664 0.000) 9.762 20.770 ( 7.432 -6.314 0.000) 9.752 20.803 ( -8.734 2.583 0.000) 9.108 20.945 ( -7.825 -4.664 0.000) 9.110 22.199 ( 8.686 7.008 0.000) 11.161 22.361 ( -6.705 6.543 0.000) 9.369 22.485 ( 7.794 -7.524 0.000) 10.833 22.637 ( -6.444 -7.516 0.000) 9.900 ======================= Grid point 40 (25/81) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.000 -3.130 0.000) 3.130 2.259 ( 0.000 3.130 0.000) 3.130 2.702 ( 0.000 -5.944 0.000) 5.944 2.702 ( 0.000 5.944 0.000) 5.944 2.985 ( 0.000 -4.634 0.000) 4.634 2.985 ( 0.000 4.634 0.000) 4.634 3.200 ( 0.000 -6.464 0.000) 6.464 3.200 ( 0.000 6.464 0.000) 6.464 3.442 ( 0.000 -3.239 0.000) 3.239 3.442 ( 0.000 3.239 0.000) 3.239 3.641 ( 0.000 -6.232 0.000) 6.232 3.641 ( 0.000 6.232 0.000) 6.232 3.816 ( 0.000 -0.984 0.000) 0.984 3.816 ( 0.000 0.984 0.000) 0.984 3.864 ( 0.000 -7.752 0.000) 7.752 3.864 ( 0.000 7.752 0.000) 7.752 4.006 ( 0.000 -4.594 0.000) 4.594 4.006 ( 0.000 4.594 0.000) 4.594 4.160 ( 0.000 -6.092 0.000) 6.092 4.160 ( 0.000 6.092 0.000) 6.092 4.988 ( 0.000 -14.963 0.000) 14.963 4.988 ( 0.000 14.963 0.000) 14.963 5.104 ( 0.000 -5.657 0.000) 5.657 5.104 ( 0.000 5.657 0.000) 5.657 5.527 ( 0.000 -2.250 0.000) 2.250 5.527 ( 0.000 2.250 0.000) 2.250 5.969 ( 0.000 -1.871 0.000) 1.871 5.969 ( 0.000 1.871 0.000) 1.871 6.349 ( 0.000 -0.940 0.000) 0.940 6.349 ( 0.000 0.940 0.000) 0.940 6.669 ( 0.000 -6.538 0.000) 6.538 6.669 ( 0.000 6.539 0.000) 6.539 7.020 ( 0.000 -0.536 0.000) 0.536 7.020 ( 0.000 0.536 0.000) 0.536 7.538 ( 0.000 -0.120 0.000) 0.120 7.538 ( 0.000 0.120 0.000) 0.120 9.011 ( 0.000 -4.160 0.000) 4.160 9.011 ( 0.000 4.160 0.000) 4.160 10.832 ( 0.000 -7.099 0.000) 7.099 10.832 ( 0.000 7.099 0.000) 7.099 11.454 ( 0.000 -12.161 0.000) 12.161 11.454 ( 0.000 12.161 0.000) 12.161 11.562 ( 0.000 -13.370 0.000) 13.370 11.562 ( 0.000 13.370 0.000) 13.370 12.294 ( 0.000 -1.435 0.000) 1.435 12.294 ( 0.000 1.435 0.000) 1.435 13.089 ( 0.000 -3.505 0.000) 3.505 13.089 ( 0.000 3.505 0.000) 3.505 13.188 ( 0.000 -12.481 0.000) 12.481 13.188 ( 0.000 12.481 0.000) 12.481 13.540 ( 0.000 -12.439 0.000) 12.439 13.540 ( 0.000 12.439 0.000) 12.439 14.453 ( 0.000 -11.524 0.000) 11.524 14.453 ( 0.000 11.524 0.000) 11.524 14.729 ( 0.000 -5.433 0.000) 5.433 14.729 ( 0.000 5.433 0.000) 5.433 16.024 ( 0.000 -2.895 0.000) 2.895 16.024 ( 0.000 2.895 0.000) 2.895 16.069 ( 0.000 -4.568 0.000) 4.568 16.069 ( 0.000 4.568 0.000) 4.568 16.334 ( 0.000 -3.042 0.000) 3.042 16.334 ( 0.000 3.042 0.000) 3.042 16.525 ( 0.000 -1.099 0.000) 1.099 16.525 ( 0.000 1.099 0.000) 1.099 16.728 ( 0.000 -0.043 0.000) 0.043 16.728 ( 0.000 0.043 0.000) 0.043 17.579 ( 0.000 -2.963 0.000) 2.963 17.579 ( 0.000 2.963 0.000) 2.963 18.436 ( 0.000 -3.473 0.000) 3.473 18.436 ( 0.000 3.473 0.000) 3.473 18.515 ( 0.000 -1.193 0.000) 1.193 18.515 ( 0.000 1.193 0.000) 1.193 19.317 ( 0.000 -0.162 0.000) 0.162 19.317 ( 0.000 0.162 0.000) 0.162 19.824 ( 0.000 -6.717 0.000) 6.717 19.824 ( 0.000 6.718 0.000) 6.718 20.642 ( 0.000 -1.945 0.000) 1.945 20.642 ( 0.000 1.945 0.000) 1.945 21.035 ( 0.000 -3.355 0.000) 3.355 21.035 ( 0.000 3.355 0.000) 3.355 22.117 ( 0.000 -8.528 0.000) 8.528 22.117 ( 0.000 8.528 0.000) 8.528 22.637 ( 0.000 -6.971 0.000) 6.971 22.637 ( 0.000 6.971 0.000) 6.971 ======================= Grid point 42 (26/81) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 4.854 -4.756 0.000) 6.796 2.313 ( 4.854 4.756 0.000) 6.796 2.668 ( -3.246 -6.183 0.000) 6.983 2.668 ( -3.246 6.183 0.000) 6.983 2.997 ( 1.119 -3.438 0.000) 3.615 2.997 ( 1.119 3.438 0.000) 3.616 3.163 ( -3.105 -5.063 0.000) 5.939 3.163 ( -3.105 5.063 0.000) 5.939 3.470 ( 2.502 -2.190 0.000) 3.326 3.470 ( 2.502 2.190 0.000) 3.326 3.677 ( 3.467 -5.384 0.000) 6.404 3.677 ( 3.467 5.384 0.000) 6.404 3.760 ( -4.656 -1.370 0.000) 4.853 3.760 ( -4.656 1.370 0.000) 4.853 3.871 ( -0.058 -6.150 0.000) 6.150 3.871 ( -0.058 6.150 0.000) 6.150 4.024 ( 1.607 -5.737 0.000) 5.958 4.024 ( 1.607 5.737 0.000) 5.958 4.150 ( -1.052 -10.099 0.000) 10.153 4.150 ( -1.052 10.099 0.000) 10.153 4.994 ( 0.711 -14.146 0.000) 14.164 4.994 ( 0.711 14.146 0.000) 14.164 5.093 ( -1.066 -6.729 0.000) 6.813 5.093 ( -1.066 6.729 0.000) 6.813 5.566 ( 3.593 -2.542 0.000) 4.402 5.566 ( 3.593 2.542 0.000) 4.402 5.909 ( -5.015 -1.947 0.000) 5.379 5.909 ( -5.015 1.947 0.000) 5.379 6.410 ( 5.149 -2.449 0.000) 5.702 6.410 ( 5.149 2.449 0.000) 5.702 6.684 ( 0.394 -5.455 0.000) 5.469 6.684 ( 0.394 5.455 0.000) 5.469 7.041 ( 2.694 -1.473 0.000) 3.070 7.041 ( 2.694 1.473 0.000) 3.070 7.478 ( -5.430 -1.009 0.000) 5.523 7.478 ( -5.430 1.009 0.000) 5.523 9.212 ( 18.372 -3.684 0.000) 18.738 9.212 ( 18.372 3.684 0.000) 18.738 10.689 ( -13.830 -5.048 0.000) 14.722 10.689 ( -13.830 5.048 0.000) 14.722 11.465 ( 0.975 -12.473 0.000) 12.511 11.465 ( 0.975 12.473 0.000) 12.511 11.544 ( -1.451 -13.151 0.000) 13.230 11.544 ( -1.451 13.151 0.000) 13.230 12.375 ( 7.381 -3.714 0.000) 8.262 12.375 ( 7.381 3.714 0.000) 8.262 12.986 ( -8.352 -11.027 0.000) 13.833 12.986 ( -8.352 11.027 0.000) 13.833 13.242 ( 5.139 -11.563 0.000) 12.654 13.242 ( 5.139 11.563 0.000) 12.654 13.589 ( 2.400 -6.552 0.000) 6.977 13.589 ( 2.400 6.552 0.000) 6.977 14.438 ( -0.515 -9.073 0.000) 9.088 14.438 ( -0.515 9.073 0.000) 9.088 14.703 ( -2.699 -4.747 0.000) 5.461 14.703 ( -2.699 4.747 0.000) 5.461 16.019 ( -3.514 -4.861 0.000) 5.998 16.019 ( -3.514 4.861 0.000) 5.998 16.026 ( -0.256 -2.413 0.000) 2.426 16.026 ( -0.256 2.413 0.000) 2.426 16.357 ( 2.335 -2.614 0.000) 3.505 16.357 ( 2.335 2.614 0.000) 3.505 16.498 ( -1.619 -2.335 0.000) 2.842 16.498 ( -1.619 2.336 0.000) 2.842 16.832 ( 8.127 -6.466 0.000) 10.385 16.832 ( 8.127 6.466 0.000) 10.385 17.502 ( -7.934 -5.407 0.000) 9.601 17.502 ( -7.934 5.408 0.000) 9.601 18.273 ( -11.047 -5.575 0.000) 12.373 18.273 ( -11.047 5.575 0.000) 12.374 18.385 ( -9.978 -2.276 0.000) 10.234 18.385 ( -9.978 2.276 0.000) 10.234 19.477 ( 13.069 -0.803 0.000) 13.094 19.477 ( 13.069 0.803 0.000) 13.094 19.978 ( 9.959 -6.792 0.000) 12.055 19.978 ( 9.959 6.792 0.000) 12.055 20.600 ( -2.200 -3.559 0.000) 4.184 20.600 ( -2.200 3.559 0.000) 4.185 20.994 ( -4.044 -3.384 0.000) 5.273 20.994 ( -4.044 3.385 0.000) 5.273 22.186 ( 6.110 -8.074 0.000) 10.126 22.186 ( 6.110 8.074 0.000) 10.126 22.600 ( -3.534 -7.006 0.000) 7.847 22.600 ( -3.534 7.006 0.000) 7.847 ======================= Grid point 44 (27/81) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 6.713 -6.215 0.000) 9.148 2.438 ( 6.713 6.215 0.000) 9.148 2.572 ( -5.847 -6.461 0.000) 8.714 2.572 ( -5.847 6.461 0.000) 8.714 3.032 ( 2.297 -2.416 0.000) 3.333 3.032 ( 2.297 2.416 0.000) 3.333 3.092 ( -3.386 -2.926 0.000) 4.475 3.092 ( -3.386 2.926 0.000) 4.475 3.541 ( 4.325 -0.743 0.000) 4.389 3.541 ( 4.325 0.743 0.000) 4.389 3.647 ( -5.678 -1.086 0.000) 5.781 3.647 ( -5.678 1.086 0.000) 5.781 3.769 ( 4.707 -3.566 0.000) 5.905 3.769 ( 4.707 3.566 0.000) 5.905 3.847 ( -2.502 -5.299 0.000) 5.860 3.847 ( -2.502 5.299 0.000) 5.860 4.066 ( 2.328 -8.074 0.000) 8.403 4.066 ( 2.328 8.074 0.000) 8.403 4.115 ( -2.241 -11.011 0.000) 11.237 4.115 ( -2.241 11.011 0.000) 11.237 5.020 ( 1.821 -11.922 0.000) 12.060 5.020 ( 1.821 11.922 0.000) 12.060 5.061 ( -1.925 -9.181 0.000) 9.380 5.061 ( -1.925 9.181 0.000) 9.380 5.665 ( 5.611 -2.353 0.000) 6.085 5.665 ( 5.611 2.353 0.000) 6.085 5.789 ( -6.170 -2.015 0.000) 6.490 5.789 ( -6.170 2.015 0.000) 6.490 6.533 ( 6.226 -3.267 0.000) 7.032 6.533 ( 6.226 3.267 0.000) 7.032 6.646 ( -4.104 -3.683 0.000) 5.514 6.646 ( -4.104 3.683 0.000) 5.514 7.153 ( 7.797 -2.560 0.000) 8.206 7.153 ( 7.797 2.560 0.000) 8.206 7.330 ( -8.439 -2.093 0.000) 8.695 7.330 ( -8.439 2.093 0.000) 8.695 9.708 ( 27.625 -2.803 0.000) 27.767 9.708 ( 27.625 2.803 0.000) 27.767 10.274 ( -25.173 -2.501 0.000) 25.297 10.274 ( -25.173 2.501 0.000) 25.297 11.489 ( 1.181 -12.980 0.000) 13.033 11.489 ( 1.181 12.980 0.000) 13.033 11.514 ( -1.317 -13.105 0.000) 13.171 11.514 ( -1.317 13.105 0.000) 13.171 12.570 ( 10.588 -7.971 0.000) 13.253 12.570 ( 10.588 7.971 0.000) 13.253 12.789 ( -10.263 -11.556 0.000) 15.456 12.789 ( -10.263 11.556 0.000) 15.456 13.391 ( 8.738 -9.733 0.000) 13.080 13.391 ( 8.738 9.733 0.000) 13.080 13.558 ( -5.805 -4.931 0.000) 7.616 13.558 ( -5.805 4.931 0.000) 7.616 14.480 ( 5.008 -4.752 0.000) 6.903 14.480 ( 5.008 4.752 0.000) 6.903 14.610 ( -6.161 -3.297 0.000) 6.988 14.610 ( -6.161 3.297 0.000) 6.988 15.977 ( -0.044 -3.965 0.000) 3.965 15.977 ( -0.044 3.965 0.000) 3.965 16.003 ( -1.780 -0.429 0.000) 1.831 16.003 ( -1.780 0.429 0.000) 1.831 16.420 ( 3.093 -4.274 0.000) 5.276 16.420 ( 3.093 4.274 0.000) 5.276 16.468 ( -1.579 -4.956 0.000) 5.201 16.468 ( -1.579 4.956 0.000) 5.201 17.022 ( 10.198 -12.507 0.000) 16.138 17.022 ( 10.198 12.507 0.000) 16.138 17.266 ( -13.088 -11.082 0.000) 17.149 17.266 ( -13.088 11.082 0.000) 17.149 18.131 ( -1.616 -6.037 0.000) 6.249 18.131 ( -1.616 6.037 0.000) 6.249 18.194 ( -7.026 -4.164 0.000) 8.168 18.194 ( -7.026 4.165 0.000) 8.168 19.776 ( 14.471 -1.497 0.000) 14.548 19.776 ( 14.471 1.497 0.000) 14.548 20.021 ( -7.121 -4.125 0.000) 8.229 20.021 ( -7.121 4.125 0.000) 8.229 20.666 ( 8.812 -4.391 0.000) 9.845 20.666 ( 8.812 4.391 0.000) 9.845 20.863 ( -8.516 -3.651 0.000) 9.266 20.863 ( -8.516 3.651 0.000) 9.266 22.339 ( 8.005 -7.426 0.000) 10.919 22.339 ( 8.005 7.426 0.000) 10.919 22.494 ( -6.558 -7.118 0.000) 9.679 22.494 ( -6.558 7.118 0.000) 9.679 ======================= Grid point 85 (28/81) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 0.000 22.675) 22.675 0.614 ( 0.000 0.000 31.379) 31.379 1.208 ( 0.000 0.000 63.112) 63.112 1.428 ( 0.000 0.000 -11.477) 11.477 1.804 ( 0.000 0.000 7.011) 7.011 1.861 ( 0.000 0.000 -11.026) 11.026 2.142 ( 0.000 0.000 -4.541) 4.541 2.269 ( 0.000 0.000 1.817) 1.817 2.295 ( 0.000 0.000 0.130) 0.130 2.503 ( 0.000 0.000 -1.048) 1.048 2.624 ( 0.000 0.000 0.115) 0.115 2.642 ( 0.000 0.000 9.858) 9.858 2.752 ( 0.000 0.000 -4.570) 4.570 2.850 ( 0.000 0.000 -15.369) 15.369 2.914 ( 0.000 0.000 -4.105) 4.105 2.925 ( 0.000 0.000 3.696) 3.696 2.963 ( 0.000 0.000 1.206) 1.206 3.209 ( 0.000 0.000 1.181) 1.181 3.225 ( 0.000 0.000 7.129) 7.129 3.537 ( 0.000 0.000 14.622) 14.622 3.614 ( 0.000 0.000 5.326) 5.326 3.748 ( 0.000 0.000 0.165) 0.165 3.797 ( 0.000 0.000 -0.958) 0.958 4.281 ( 0.000 0.000 10.486) 10.486 4.428 ( 0.000 0.000 -23.084) 23.084 4.561 ( 0.000 0.000 -27.417) 27.417 4.637 ( 0.000 0.000 -9.626) 9.626 5.027 ( 0.000 0.000 -4.861) 4.861 5.086 ( 0.000 0.000 -5.808) 5.808 5.377 ( 0.000 0.000 -7.726) 7.726 5.971 ( 0.000 0.000 0.898) 0.898 6.076 ( 0.000 0.000 -0.025) 0.025 6.152 ( 0.000 0.000 21.030) 21.030 6.507 ( 0.000 0.000 1.568) 1.568 6.722 ( 0.000 0.000 11.349) 11.349 7.558 ( 0.000 0.000 -7.409) 7.409 8.527 ( 0.000 0.000 10.927) 10.927 8.797 ( 0.000 0.000 8.250) 8.250 9.091 ( 0.000 0.000 1.843) 1.843 9.435 ( 0.000 0.000 -11.205) 11.205 9.595 ( 0.000 0.000 0.735) 0.735 10.331 ( 0.000 0.000 -24.391) 24.391 10.851 ( 0.000 0.000 5.142) 5.142 11.058 ( 0.000 0.000 17.573) 17.573 11.326 ( 0.000 0.000 -6.783) 6.783 11.767 ( 0.000 0.000 18.971) 18.971 12.268 ( 0.000 0.000 3.146) 3.146 12.827 ( 0.000 0.000 8.097) 8.097 12.942 ( 0.000 0.000 0.229) 0.229 13.274 ( 0.000 0.000 8.748) 8.748 13.294 ( 0.000 0.000 6.363) 6.363 13.597 ( 0.000 0.000 -12.661) 12.661 13.667 ( 0.000 0.000 -1.846) 1.846 13.810 ( 0.000 0.000 -2.624) 2.624 13.876 ( 0.000 0.000 8.306) 8.306 14.091 ( 0.000 0.000 -12.947) 12.947 14.517 ( 0.000 0.000 -10.797) 10.797 15.228 ( 0.000 0.000 -6.120) 6.120 15.673 ( 0.000 0.000 -0.400) 0.400 15.976 ( 0.000 0.000 -9.775) 9.775 16.167 ( 0.000 0.000 6.320) 6.320 16.432 ( 0.000 0.000 5.307) 5.307 16.527 ( 0.000 0.000 1.749) 1.749 16.819 ( 0.000 0.000 -2.000) 2.000 16.852 ( 0.000 0.000 7.669) 7.669 17.056 ( 0.000 0.000 -2.093) 2.093 17.337 ( 0.000 0.000 3.061) 3.061 17.433 ( 0.000 0.000 -16.723) 16.723 17.548 ( 0.000 0.000 -7.928) 7.928 17.877 ( 0.000 0.000 -12.829) 12.829 18.570 ( 0.000 0.000 24.646) 24.646 18.699 ( 0.000 0.000 0.317) 0.317 18.726 ( 0.000 0.000 -0.331) 0.331 19.414 ( 0.000 0.000 -8.780) 8.780 20.163 ( 0.000 0.000 8.817) 8.817 20.776 ( 0.000 0.000 -5.200) 5.200 21.073 ( 0.000 0.000 10.368) 10.368 21.384 ( 0.000 0.000 -1.585) 1.585 22.032 ( 0.000 0.000 3.579) 3.579 22.279 ( 0.000 0.000 0.183) 0.183 22.289 ( 0.000 0.000 -0.170) 0.170 22.646 ( 0.000 0.000 -15.735) 15.735 23.249 ( 0.000 0.000 14.867) 14.867 23.836 ( 0.000 0.000 -4.825) 4.825 ======================= Grid point 86 (29/81) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 25.114 0.000 10.962) 27.402 0.870 ( 20.976 0.000 19.736) 28.801 1.497 ( 6.034 0.000 -9.539) 11.287 1.542 ( 26.296 0.000 45.700) 52.725 1.799 ( -0.982 0.000 5.989) 6.069 1.917 ( 8.261 0.000 -10.336) 13.232 2.062 ( -7.489 0.000 -2.520) 7.902 2.229 ( -1.855 0.000 0.717) 1.989 2.281 ( -2.513 0.000 -0.521) 2.566 2.394 ( -14.036 0.000 -2.500) 14.256 2.652 ( 2.503 0.000 -0.198) 2.510 2.654 ( -0.236 0.000 4.006) 4.013 2.759 ( 0.313 0.000 -4.157) 4.169 2.789 ( -0.644 0.000 -6.184) 6.218 2.928 ( 0.334 0.000 3.543) 3.559 2.960 ( -0.669 0.000 -4.231) 4.283 2.961 ( -0.195 0.000 1.353) 1.367 3.202 ( -1.780 0.000 5.850) 6.115 3.292 ( 1.296 0.000 3.676) 3.898 3.530 ( 4.376 0.000 6.031) 7.451 3.649 ( 2.057 0.000 3.758) 4.284 3.749 ( 0.090 0.000 0.053) 0.104 3.789 ( -0.776 0.000 -0.856) 1.156 4.007 ( -17.808 0.000 12.479) 21.746 4.416 ( -7.943 0.000 -10.541) 13.199 4.478 ( -1.072 0.000 -20.892) 20.920 4.647 ( 1.187 0.000 -30.970) 30.993 5.144 ( 5.206 0.000 5.190) 7.351 5.171 ( 3.615 0.000 -5.799) 6.833 5.352 ( -3.494 0.000 -15.146) 15.543 5.986 ( 5.010 0.000 2.622) 5.654 6.123 ( 2.650 0.000 2.900) 3.929 6.168 ( -1.939 0.000 10.910) 11.081 6.444 ( -1.528 0.000 13.721) 13.806 6.915 ( 12.609 0.000 1.642) 12.715 7.541 ( -2.181 0.000 -7.759) 8.059 8.613 ( 8.049 0.000 9.773) 12.661 9.160 ( 10.559 0.000 -2.667) 10.890 9.270 ( 20.162 0.000 -17.973) 27.010 9.351 ( -7.890 0.000 -7.515) 10.896 9.671 ( 9.855 0.000 -3.365) 10.414 10.385 ( 3.164 0.000 -29.147) 29.318 10.885 ( 3.386 0.000 2.328) 4.109 11.094 ( 4.476 0.000 19.923) 20.419 11.275 ( -4.759 0.000 -6.693) 8.213 11.719 ( -3.184 0.000 20.811) 21.053 12.105 ( -14.200 0.000 11.226) 18.102 12.857 ( 2.909 0.000 7.639) 8.174 12.948 ( -13.295 0.000 6.041) 14.603 13.124 ( -14.381 0.000 14.586) 20.483 13.207 ( -5.613 0.000 6.423) 8.530 13.294 ( -12.668 0.000 11.235) 16.933 13.642 ( 3.482 0.000 -9.273) 9.905 13.657 ( -8.031 0.000 7.697) 11.124 13.801 ( -0.892 0.000 -2.809) 2.948 14.001 ( -11.889 0.000 5.711) 13.189 14.434 ( 15.121 0.000 1.520) 15.197 15.267 ( -4.570 0.000 -1.229) 4.733 15.689 ( 1.554 0.000 -1.098) 1.903 15.911 ( -4.720 0.000 -6.641) 8.147 16.229 ( 4.454 0.000 4.085) 6.044 16.421 ( -1.153 0.000 5.779) 5.893 16.561 ( 3.147 0.000 0.714) 3.227 16.798 ( -2.077 0.000 -1.851) 2.782 16.980 ( 9.150 0.000 -2.133) 9.395 17.149 ( 5.958 0.000 -19.174) 20.078 17.359 ( 3.664 0.000 -7.461) 8.312 17.488 ( -1.886 0.000 -2.277) 2.956 17.740 ( 6.428 0.000 -18.121) 19.228 17.875 ( 0.577 0.000 -15.898) 15.909 18.603 ( 5.987 0.000 23.300) 24.057 18.700 ( 0.123 0.000 0.253) 0.281 18.722 ( -0.352 0.000 -0.272) 0.445 19.375 ( -5.344 0.000 -5.220) 7.470 20.115 ( -1.300 0.000 12.110) 12.180 20.475 ( -10.275 0.000 11.827) 15.667 21.266 ( 8.912 0.000 -3.122) 9.444 21.617 ( 12.054 0.000 -11.506) 16.664 21.952 ( -6.596 0.000 -0.473) 6.613 22.154 ( -11.757 0.000 -2.904) 12.110 22.343 ( -1.003 0.000 1.851) 2.105 22.441 ( -5.596 0.000 7.928) 9.704 23.280 ( 5.742 0.000 10.067) 11.589 23.785 ( -4.849 0.000 -4.681) 6.740 ======================= Grid point 87 (30/81) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 21.387 0.000 4.369) 21.829 1.358 ( 24.432 0.000 9.120) 26.078 1.596 ( -2.815 0.000 -2.484) 3.754 1.755 ( 0.480 0.000 1.038) 1.143 1.807 ( -13.677 0.000 6.361) 15.084 1.882 ( -8.408 0.000 -1.357) 8.517 2.151 ( 10.200 0.000 -8.457) 13.250 2.203 ( -0.555 0.000 -0.015) 0.555 2.219 ( -2.334 0.000 -0.362) 2.362 2.271 ( 8.079 0.000 15.898) 17.833 2.615 ( 4.239 0.000 -0.991) 4.354 2.710 ( 2.644 0.000 -1.288) 2.941 2.751 ( -1.235 0.000 -2.839) 3.095 2.815 ( -0.305 0.000 8.270) 8.276 2.940 ( 0.727 0.000 2.759) 2.853 2.954 ( -0.551 0.000 1.856) 1.936 3.006 ( 4.834 0.000 3.622) 6.040 3.106 ( -6.441 0.000 5.913) 8.744 3.199 ( -3.847 0.000 10.263) 10.960 3.399 ( -19.662 0.000 10.257) 22.176 3.754 ( 0.495 0.000 -0.236) 0.548 3.768 ( 7.056 0.000 -2.407) 7.456 3.770 ( -0.927 0.000 -0.585) 1.096 3.821 ( 1.349 0.000 0.259) 1.374 4.271 ( -3.005 0.000 -12.758) 13.107 4.353 ( -8.477 0.000 -15.329) 17.516 4.826 ( 14.397 0.000 -31.794) 34.902 5.145 ( -13.362 0.000 -16.446) 21.190 5.217 ( 1.578 0.000 2.662) 3.095 5.229 ( 0.220 0.000 -5.545) 5.550 6.116 ( 5.132 0.000 -2.588) 5.748 6.152 ( 0.849 0.000 -1.630) 1.838 6.208 ( 5.182 0.000 24.069) 24.621 6.353 ( -6.942 0.000 21.928) 23.001 7.196 ( 13.390 0.000 -4.835) 14.237 7.431 ( -8.673 0.000 -7.330) 11.355 8.841 ( 13.236 0.000 6.158) 14.598 9.125 ( -13.226 0.000 -0.076) 13.226 9.360 ( 8.282 0.000 -2.104) 8.545 9.451 ( 0.266 0.000 -8.261) 8.265 10.022 ( 19.279 0.000 -23.296) 30.239 10.341 ( -9.370 0.000 -31.895) 33.243 10.991 ( 6.651 0.000 -2.701) 7.178 11.143 ( -7.419 0.000 -5.771) 9.399 11.272 ( 12.833 0.000 18.324) 22.371 11.595 ( -14.781 0.000 9.240) 17.431 11.928 ( 7.998 0.000 37.323) 38.170 12.340 ( -27.756 0.000 32.230) 42.534 12.945 ( 5.453 0.000 6.442) 8.440 13.074 ( -6.713 0.000 5.446) 8.644 13.145 ( 4.438 0.000 0.162) 4.441 13.235 ( -2.197 0.000 -5.646) 6.059 13.573 ( 3.205 0.000 10.924) 11.384 13.715 ( 3.260 0.000 -5.622) 6.499 13.760 ( -11.734 0.000 9.373) 15.018 13.771 ( -2.060 0.000 -3.633) 4.177 14.780 ( 16.333 0.000 -1.367) 16.390 15.080 ( -12.316 0.000 -1.619) 12.422 15.737 ( 3.053 0.000 -2.686) 4.066 15.814 ( -4.324 0.000 -4.433) 6.193 16.317 ( 3.805 0.000 4.284) 5.730 16.383 ( -2.504 0.000 5.418) 5.969 16.645 ( 4.578 0.000 -0.549) 4.610 16.735 ( -3.863 0.000 -1.385) 4.104 17.194 ( 9.075 0.000 -9.021) 12.796 17.267 ( 3.762 0.000 -14.034) 14.529 17.404 ( 0.705 0.000 -4.196) 4.255 17.462 ( -0.692 0.000 -3.838) 3.900 17.739 ( -0.925 0.000 -11.110) 11.148 17.808 ( -6.453 0.000 -12.422) 13.998 18.705 ( 0.316 0.000 0.087) 0.328 18.713 ( -0.458 0.000 -0.114) 0.472 18.851 ( 15.743 0.000 11.277) 19.365 19.170 ( -13.721 0.000 2.953) 14.035 20.178 ( 6.260 0.000 8.290) 10.388 20.320 ( -6.742 0.000 7.875) 10.367 21.478 ( 11.712 0.000 -4.894) 12.693 21.746 ( -12.589 0.000 -5.376) 13.688 21.788 ( 4.722 0.000 -9.269) 10.402 21.906 ( -7.591 0.000 -4.065) 8.611 22.348 ( 1.972 0.000 10.653) 10.834 22.397 ( -2.178 0.000 11.524) 11.728 23.453 ( 9.655 0.000 0.587) 9.673 23.645 ( -8.368 0.000 -3.509) 9.074 ======================= Grid point 90 (31/81) ======================= q-point: ( 0.00 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 22.532 19.804) 29.998 1.029 ( 0.000 24.751 25.545) 35.569 1.491 ( 0.000 38.086 36.634) 52.845 1.705 ( 0.000 24.509 -7.506) 25.633 1.871 ( 0.000 2.251 -7.573) 7.900 2.008 ( 0.000 19.038 4.860) 19.649 2.306 ( 0.000 14.421 -5.065) 15.284 2.460 ( 0.000 12.515 -0.741) 12.537 2.539 ( 0.000 17.418 0.265) 17.420 2.550 ( 0.000 6.656 -0.606) 6.684 2.665 ( 0.000 5.820 8.090) 9.966 2.748 ( 0.000 12.090 -0.224) 12.092 2.851 ( 0.000 5.037 -12.046) 13.057 2.903 ( 0.000 10.067 -7.449) 12.523 2.925 ( 0.000 1.881 -2.939) 3.489 3.089 ( 0.000 15.084 4.638) 15.780 3.163 ( 0.000 16.968 1.950) 17.080 3.208 ( 0.000 1.232 1.240) 1.748 3.225 ( 0.000 2.052 6.496) 6.812 3.542 ( 0.000 1.204 15.011) 15.059 3.623 ( 0.000 1.482 5.355) 5.557 3.857 ( 0.000 9.638 2.230) 9.892 3.941 ( 0.000 14.091 -1.425) 14.163 4.337 ( 0.000 9.633 10.190) 14.023 4.457 ( 0.000 2.961 -26.757) 26.920 4.558 ( 0.000 0.044 -22.634) 22.634 4.627 ( 0.000 -0.726 -9.890) 9.917 5.065 ( 0.000 4.243 -4.880) 6.467 5.091 ( 0.000 0.832 -5.516) 5.578 5.367 ( 0.000 -0.953 -6.978) 7.043 5.869 ( 0.000 -8.073 3.130) 8.658 6.038 ( 0.000 -3.836 1.186) 4.015 6.129 ( 0.000 -2.209 18.840) 18.969 6.487 ( 0.000 -1.676 1.459) 2.222 6.688 ( 0.000 -3.387 11.616) 12.100 7.526 ( 0.000 -3.246 -7.655) 8.315 8.770 ( 0.000 -2.008 7.975) 8.224 9.061 ( 0.000 10.929 -6.626) 12.780 9.563 ( 0.000 34.726 -17.842) 39.042 9.565 ( 0.000 0.970 -2.089) 2.304 9.890 ( 0.000 38.698 -8.469) 39.614 10.289 ( 0.000 1.595 -18.046) 18.117 11.034 ( 0.000 0.706 17.475) 17.489 11.072 ( 0.000 17.971 0.075) 17.971 11.590 ( 0.000 20.306 -6.893) 21.444 11.802 ( 0.000 2.017 16.302) 16.426 12.273 ( 0.000 3.605 4.647) 5.881 12.677 ( 0.000 -8.802 5.371) 10.311 12.970 ( 0.000 -2.228 -2.033) 3.016 13.122 ( 0.000 -0.748 12.104) 12.127 13.305 ( 0.000 -16.262 -8.491) 18.345 13.489 ( 0.000 9.452 2.382) 9.748 13.658 ( 0.000 -0.574 -3.616) 3.662 13.823 ( 0.000 1.894 -3.565) 4.037 14.014 ( 0.000 9.988 11.272) 15.061 14.295 ( 0.000 15.815 -8.332) 17.876 14.577 ( 0.000 7.118 -8.520) 11.102 15.084 ( 0.000 -9.702 0.284) 9.706 15.236 ( 0.000 -18.526 22.010) 28.769 15.898 ( 0.000 -26.056 -3.108) 26.241 15.910 ( 0.000 1.876 -6.522) 6.786 16.104 ( 0.000 -9.738 -9.006) 13.264 16.438 ( 0.000 0.288 6.832) 6.838 16.467 ( 0.000 7.364 13.178) 15.095 17.061 ( 0.000 0.714 -2.763) 2.853 17.320 ( 0.000 -3.820 -20.733) 21.082 17.431 ( 0.000 1.165 3.537) 3.723 17.510 ( 0.000 -3.947 -7.020) 8.054 18.247 ( 0.000 30.997 -7.332) 31.852 18.379 ( 0.000 -7.625 16.977) 18.610 18.705 ( 0.000 48.916 -37.634) 61.718 18.720 ( 0.000 -0.322 -1.560) 1.593 18.891 ( 0.000 21.653 -3.720) 21.970 19.404 ( 0.000 -1.088 -7.238) 7.319 20.171 ( 0.000 0.668 8.472) 8.498 20.710 ( 0.000 -6.155 -1.601) 6.360 21.062 ( 0.000 -1.028 8.786) 8.846 21.308 ( 0.000 -6.445 0.899) 6.507 21.942 ( 0.000 -8.797 3.633) 9.518 22.166 ( 0.000 -13.667 1.601) 13.760 22.212 ( 0.000 -6.645 -0.157) 6.647 22.346 ( 0.000 -15.202 2.918) 15.479 23.139 ( 0.000 -6.063 17.678) 18.688 23.781 ( 0.000 -5.543 -4.785) 7.323 ======================= Grid point 91 (32/81) ======================= q-point: ( 0.20 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 10.494 16.672 14.748) 24.609 1.205 ( 14.957 18.828 22.125) 32.676 1.697 ( 2.364 16.328 -4.586) 17.124 1.828 ( 21.301 28.424 22.252) 41.914 1.933 ( 3.382 9.831 -2.930) 10.801 2.024 ( 3.316 17.433 1.864) 17.843 2.223 ( -5.304 13.704 -4.381) 15.334 2.383 ( -7.824 10.783 2.489) 13.553 2.454 ( -1.744 17.548 -1.097) 17.668 2.538 ( -5.532 15.807 -1.883) 16.852 2.646 ( -2.234 1.874 4.606) 5.451 2.747 ( 1.263 5.872 -1.650) 6.229 2.821 ( 0.303 6.537 -2.935) 7.172 2.889 ( -0.242 10.920 -3.438) 11.451 2.969 ( -0.307 4.164 -3.211) 5.267 3.086 ( 0.034 11.911 2.556) 12.183 3.152 ( -1.627 12.940 1.438) 13.121 3.220 ( 0.499 6.135 5.250) 8.090 3.298 ( 1.927 3.780 5.457) 6.912 3.547 ( 4.034 2.691 7.593) 9.009 3.643 ( 1.908 0.474 4.322) 4.748 3.847 ( -0.720 8.477 1.945) 8.727 3.929 ( -1.106 13.648 -1.394) 13.763 4.133 ( -16.016 13.569 9.194) 22.917 4.423 ( -8.791 0.575 -11.343) 14.363 4.472 ( -1.239 0.535 -17.637) 17.689 4.645 ( 2.276 0.180 -30.963) 31.047 5.154 ( 4.583 1.425 -1.318) 4.977 5.156 ( 4.363 0.336 -0.318) 4.387 5.336 ( -3.965 -1.041 -12.800) 13.440 5.923 ( 5.857 -6.265 2.319) 8.885 6.075 ( 2.512 -4.448 0.508) 5.133 6.136 ( -0.309 -2.654 15.380) 15.610 6.403 ( -3.202 -2.880 14.864) 15.475 6.879 ( 12.920 -3.466 1.408) 13.450 7.504 ( -2.715 -3.797 -7.709) 9.012 8.827 ( 5.956 3.887 8.918) 11.406 9.208 ( 10.615 4.854 -7.758) 14.015 9.437 ( -3.476 8.106 -2.382) 9.136 9.807 ( 12.203 16.707 -11.335) 23.591 9.850 ( -1.867 43.269 -10.039) 44.458 10.326 ( 2.604 0.362 -23.071) 23.220 10.983 ( -0.798 3.266 10.189) 10.730 11.144 ( 2.650 10.158 5.433) 11.821 11.537 ( -4.314 18.441 -5.580) 19.744 11.760 ( -2.982 5.041 16.970) 17.952 12.138 ( -11.143 6.442 9.582) 16.046 12.609 ( -9.034 -12.956 15.363) 22.034 12.931 ( -7.193 -9.288 0.951) 11.786 13.043 ( 1.697 4.533 0.363) 4.854 13.266 ( -6.278 -3.043 8.701) 11.153 13.419 ( -3.804 7.243 -1.264) 8.278 13.610 ( -5.014 4.000 -4.021) 7.571 13.707 ( -11.581 7.595 4.442) 14.545 13.892 ( 1.328 8.397 1.208) 8.586 14.256 ( -12.746 16.393 5.003) 21.359 14.510 ( 14.295 9.118 -1.825) 17.053 15.146 ( -1.793 -10.075 0.127) 10.234 15.500 ( 12.583 -20.053 -0.838) 23.689 15.789 ( -4.556 -11.467 -6.200) 13.809 16.055 ( 7.987 -18.002 -3.668) 20.033 16.138 ( 3.079 -9.575 -6.684) 12.076 16.403 ( -3.355 -0.625 9.678) 10.262 16.438 ( -1.757 3.738 5.979) 7.266 17.074 ( 5.030 0.270 -0.866) 5.111 17.387 ( 1.526 -2.686 -8.783) 9.310 17.411 ( 0.975 0.208 -0.920) 1.356 17.572 ( 2.395 -1.880 -10.972) 11.386 18.205 ( -2.493 27.973 -8.915) 29.465 18.456 ( -4.443 11.412 1.568) 12.346 18.550 ( 1.538 30.876 -15.021) 34.370 18.749 ( 0.244 6.459 -4.069) 7.638 18.854 ( -1.145 10.856 6.715) 12.816 19.389 ( -4.147 2.332 -4.049) 6.248 20.119 ( -1.955 0.380 11.633) 11.803 20.447 ( -9.697 -2.703 10.765) 14.738 21.248 ( 8.414 -1.857 -3.338) 9.240 21.521 ( 12.411 -9.193 -8.627) 17.691 21.864 ( -5.997 -8.148 -0.684) 10.141 22.054 ( -12.779 -10.207 -3.367) 16.698 22.218 ( 3.346 -9.527 5.812) 11.651 22.353 ( 0.389 -7.175 7.763) 10.579 23.216 ( 7.139 -5.289 10.328) 13.623 23.730 ( -4.745 -5.419 -4.564) 8.527 ======================= Grid point 92 (33/81) ======================= q-point: ( 0.40 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 19.355 4.598 5.071) 20.530 1.531 ( 9.876 6.888 12.646) 17.461 1.689 ( -2.762 9.925 -1.468) 10.406 1.900 ( -10.759 11.551 0.486) 15.793 1.969 ( 4.165 18.279 4.230) 19.219 2.111 ( -4.605 15.863 4.291) 17.066 2.218 ( 4.428 13.381 -10.311) 17.464 2.328 ( -2.712 12.397 -1.364) 12.763 2.429 ( 0.497 18.054 -1.692) 18.140 2.485 ( -0.871 17.210 0.323) 17.235 2.663 ( 12.690 8.530 7.578) 17.065 2.823 ( 3.326 8.261 5.048) 10.237 2.859 ( 3.386 8.207 2.679) 9.273 2.877 ( -1.520 11.099 -1.894) 11.361 2.998 ( 3.701 2.315 3.930) 5.874 3.067 ( -4.585 4.231 3.958) 7.389 3.082 ( 0.605 8.077 2.940) 8.617 3.203 ( -2.442 11.599 5.877) 13.230 3.270 ( -0.623 13.284 8.605) 15.840 3.465 ( -17.071 10.006 7.922) 21.315 3.767 ( 6.856 0.599 -1.080) 6.966 3.821 ( -0.818 3.062 0.678) 3.241 3.889 ( -1.325 12.603 -0.137) 12.674 3.915 ( -1.924 11.510 -0.156) 11.671 4.278 ( -2.911 0.999 -11.286) 11.698 4.351 ( -7.752 0.407 -13.118) 15.243 4.827 ( 13.832 0.642 -30.980) 33.934 5.131 ( -12.797 -0.594 -17.153) 21.409 5.218 ( 2.083 0.552 1.291) 2.512 5.236 ( 0.151 1.119 -3.456) 3.636 6.063 ( 5.552 -5.290 -2.493) 8.064 6.108 ( 0.504 -4.459 -2.155) 4.978 6.181 ( 4.981 -2.421 23.846) 24.481 6.314 ( -6.181 -3.306 22.159) 23.241 7.157 ( 13.072 -3.886 -4.718) 14.431 7.388 ( -8.657 -4.309 -7.119) 12.008 9.007 ( 10.628 4.236 6.978) 13.401 9.220 ( -8.458 -0.014 -0.066) 8.458 9.558 ( 11.629 18.773 -0.293) 22.084 9.743 ( -6.216 30.803 -0.464) 31.428 10.111 ( 13.723 15.015 -23.883) 31.372 10.324 ( -4.967 3.944 -30.085) 30.747 11.011 ( 3.962 -0.829 4.210) 5.841 11.133 ( -4.814 1.648 2.759) 5.788 11.495 ( 3.305 15.027 3.149) 15.705 11.663 ( -9.090 7.331 8.189) 14.263 12.009 ( 5.149 10.361 27.262) 29.615 12.291 ( -18.008 -3.234 25.654) 31.510 12.895 ( 2.539 -5.207 -0.891) 5.861 12.980 ( -5.180 1.049 0.591) 5.318 13.273 ( 4.055 3.726 5.933) 8.095 13.383 ( -4.098 12.405 1.181) 13.118 13.446 ( 0.249 -4.593 0.187) 4.603 13.577 ( -6.413 -0.613 2.184) 6.802 13.956 ( 4.184 13.625 -0.721) 14.271 14.066 ( -6.772 16.326 2.004) 17.788 14.804 ( 13.253 2.535 -1.752) 13.607 15.036 ( -8.707 -4.181 -1.985) 9.860 15.645 ( 4.025 -12.319 -4.217) 13.629 15.716 ( -3.070 -11.038 -5.998) 12.932 16.181 ( 3.822 -23.305 -2.162) 23.716 16.209 ( 2.009 -14.603 -3.009) 15.044 16.352 ( -0.304 -1.206 5.493) 5.632 16.392 ( -2.714 -0.239 3.093) 4.122 17.257 ( 10.122 0.030 -0.782) 10.152 17.378 ( -1.514 -0.842 -3.797) 4.173 17.454 ( 2.144 -2.260 -1.846) 3.621 17.540 ( -5.058 -0.641 -5.219) 7.296 18.178 ( 0.560 31.876 -12.603) 34.281 18.256 ( -7.476 36.030 -14.208) 39.445 18.717 ( 4.338 2.648 -1.372) 5.264 18.747 ( -0.360 3.732 -1.410) 4.006 18.926 ( 10.719 7.965 11.366) 17.536 19.202 ( -12.875 4.261 5.165) 14.512 20.168 ( 5.674 -0.932 7.741) 9.643 20.300 ( -6.380 -1.960 7.326) 9.911 21.445 ( 10.782 -3.166 -4.876) 12.249 21.670 ( -4.865 -7.381 -4.578) 9.955 21.719 ( -0.777 -6.305 -9.808) 11.685 21.821 ( -7.302 -8.397 -4.411) 11.970 22.283 ( 2.951 -6.225 10.097) 12.223 22.337 ( -1.978 -5.923 11.009) 12.657 23.401 ( 9.766 -5.022 1.037) 11.031 23.593 ( -8.282 -5.177 -3.227) 10.286 ======================= Grid point 95 (34/81) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 22.914 9.266) 24.717 1.357 ( 0.000 15.293 31.777) 35.265 1.948 ( 0.000 6.411 -2.068) 6.736 2.196 ( 0.000 21.690 -0.199) 21.691 2.415 ( 0.000 40.867 10.763) 42.261 2.443 ( 0.000 23.440 -1.781) 23.508 2.599 ( 0.000 18.728 -3.779) 19.106 2.669 ( 0.000 11.724 -3.882) 12.350 2.743 ( 0.000 9.036 0.618) 9.057 2.746 ( 0.000 9.146 -4.297) 10.105 2.896 ( 0.000 9.742 -5.363) 11.120 3.026 ( 0.000 11.442 -1.504) 11.541 3.030 ( 0.000 11.091 2.057) 11.280 3.034 ( 0.000 14.807 -4.035) 15.347 3.203 ( 0.000 17.531 -4.269) 18.043 3.265 ( 0.000 6.471 9.066) 11.139 3.305 ( 0.000 12.035 4.126) 12.723 3.424 ( 0.000 18.256 6.293) 19.310 3.557 ( 0.000 15.331 -2.878) 15.598 3.588 ( 0.000 3.139 17.014) 17.301 3.754 ( 0.000 15.927 6.767) 17.305 4.125 ( 0.000 18.908 3.844) 19.295 4.306 ( 0.000 22.243 -3.897) 22.582 4.510 ( 0.000 1.309 -31.883) 31.910 4.612 ( 0.000 2.945 -7.009) 7.602 4.615 ( 0.000 7.771 -10.876) 13.367 4.667 ( 0.000 19.288 1.524) 19.348 5.134 ( 0.000 4.330 -7.781) 8.905 5.218 ( 0.000 12.051 -2.355) 12.279 5.347 ( 0.000 -0.769 -4.568) 4.632 5.682 ( 0.000 -10.492 4.852) 11.560 5.933 ( 0.000 -6.830 2.710) 7.348 6.076 ( 0.000 -2.966 13.861) 14.174 6.447 ( 0.000 -2.200 0.161) 2.206 6.599 ( 0.000 -5.461 12.505) 13.645 7.428 ( 0.000 -6.990 -7.772) 10.453 8.757 ( 0.000 1.633 7.922) 8.089 9.279 ( 0.000 12.659 -6.959) 14.446 9.574 ( 0.000 0.370 0.007) 0.370 9.727 ( 0.000 -6.525 -4.014) 7.661 10.475 ( 0.000 13.345 -2.686) 13.613 10.739 ( 0.000 40.380 -14.317) 42.843 11.121 ( 0.000 8.581 15.141) 17.404 11.316 ( 0.000 5.312 -1.216) 5.449 11.787 ( 0.000 -3.341 15.254) 15.616 11.867 ( 0.000 6.699 1.632) 6.895 12.504 ( 0.000 17.321 1.664) 17.401 12.720 ( 0.000 12.994 -4.060) 13.613 12.809 ( 0.000 -10.456 6.187) 12.149 13.190 ( 0.000 2.611 -8.728) 9.110 13.297 ( 0.000 13.950 5.263) 14.910 13.659 ( 0.000 9.049 -3.111) 9.569 13.679 ( 0.000 3.509 -7.135) 7.952 13.896 ( 0.000 5.617 -5.853) 8.113 14.153 ( 0.000 4.170 10.711) 11.494 14.609 ( 0.000 13.273 -9.305) 16.209 14.819 ( 0.000 17.115 -1.742) 17.204 14.938 ( 0.000 -5.190 2.190) 5.633 15.175 ( 0.000 9.319 3.137) 9.833 15.248 ( 0.000 -28.022 -0.367) 28.025 15.966 ( 0.000 3.374 -1.169) 3.571 16.131 ( 0.000 3.083 -7.999) 8.573 16.443 ( 0.000 0.401 7.419) 7.430 16.693 ( 0.000 13.948 6.417) 15.353 17.096 ( 0.000 3.058 -4.306) 5.282 17.214 ( 0.000 -6.220 -15.770) 16.953 17.392 ( 0.000 -3.860 2.623) 4.667 17.393 ( 0.000 -8.099 -5.830) 9.979 18.217 ( 0.000 -6.771 16.606) 17.933 18.702 ( 0.000 1.493 -4.401) 4.647 18.830 ( 0.000 22.189 -0.716) 22.200 18.949 ( 0.000 3.674 3.830) 5.307 19.380 ( 0.000 -0.494 -4.011) 4.041 19.567 ( 0.000 25.094 -25.851) 36.027 20.176 ( 0.000 -0.663 7.109) 7.140 20.583 ( 0.000 -5.906 -1.251) 6.037 21.043 ( 0.000 -0.510 4.788) 4.815 21.168 ( 0.000 -7.980 0.301) 7.986 21.724 ( 0.000 -12.477 3.795) 13.042 21.915 ( 0.000 -10.213 -1.811) 10.372 22.034 ( 0.000 -11.316 -0.122) 11.317 22.128 ( 0.000 -9.731 2.194) 9.975 23.021 ( 0.000 -6.358 14.401) 15.742 23.633 ( 0.000 -9.244 -4.599) 10.325 ======================= Grid point 96 (35/81) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 2.324 19.470 10.902) 22.435 1.500 ( 9.372 13.749 21.819) 27.440 1.907 ( -2.452 8.817 -3.665) 9.858 2.192 ( -2.049 11.896 4.030) 12.726 2.431 ( 1.610 23.605 -4.791) 24.140 2.454 ( -4.575 25.060 0.936) 25.491 2.613 ( -2.091 11.992 0.559) 12.186 2.687 ( 9.322 29.282 0.437) 30.733 2.711 ( 1.854 7.883 1.224) 8.190 2.764 ( -3.490 4.693 -6.269) 8.574 2.852 ( 0.204 19.981 1.678) 20.052 2.984 ( -2.949 17.998 -0.629) 18.249 3.026 ( 1.615 14.487 4.932) 15.388 3.108 ( -1.128 14.624 -1.570) 14.752 3.200 ( 0.285 4.730 1.973) 5.133 3.227 ( -2.710 12.651 0.440) 12.946 3.265 ( -0.048 11.836 0.439) 11.844 3.451 ( 0.746 12.374 8.138) 14.829 3.601 ( 2.782 10.537 0.346) 10.904 3.672 ( 8.617 12.381 9.947) 18.069 3.774 ( 2.017 19.551 6.149) 20.594 4.087 ( -3.295 17.129 2.621) 17.638 4.268 ( -3.380 19.259 -3.866) 19.932 4.429 ( -7.196 1.440 -12.150) 14.195 4.485 ( -11.448 14.860 -0.685) 18.771 4.569 ( -6.034 15.218 -6.672) 17.678 4.685 ( 5.028 5.343 -27.104) 28.079 5.183 ( 3.702 3.498 -2.918) 5.870 5.260 ( 2.557 9.513 0.138) 9.852 5.327 ( -3.010 0.522 -10.935) 11.354 5.759 ( 7.064 -9.867 2.695) 12.431 5.959 ( 1.888 -7.407 0.119) 7.644 6.077 ( 0.372 -3.190 15.350) 15.683 6.346 ( -4.744 -2.920 13.979) 15.049 6.788 ( 12.509 -5.595 1.130) 13.750 7.394 ( -3.520 -7.455 -7.484) 11.135 8.825 ( 5.930 -0.273 8.528) 10.391 9.319 ( -3.177 3.294 -2.421) 5.178 9.486 ( 5.232 3.312 -1.584) 6.392 9.924 ( 10.691 -2.982 -7.480) 13.384 10.510 ( 3.059 14.439 -3.181) 15.098 10.767 ( 2.965 41.881 -13.679) 44.158 11.113 ( -1.648 11.849 10.866) 16.161 11.242 ( -6.243 -0.182 1.622) 6.453 11.681 ( -3.919 -1.507 9.942) 10.792 11.990 ( 5.072 12.238 0.962) 13.282 12.431 ( -7.502 13.930 3.855) 16.284 12.533 ( -14.351 13.087 5.469) 20.178 12.800 ( -0.543 -5.894 1.956) 6.234 13.157 ( 0.926 3.613 0.663) 3.788 13.243 ( -6.878 6.139 -0.731) 9.248 13.571 ( -3.831 9.104 -7.095) 12.161 13.705 ( -1.773 6.609 -1.072) 6.926 13.906 ( -5.127 9.671 -5.067) 12.062 14.089 ( 1.412 10.792 5.739) 12.304 14.521 ( -8.522 12.500 -0.608) 15.141 14.780 ( 2.088 14.091 -2.143) 14.405 14.945 ( 0.125 -8.414 0.397) 8.424 15.318 ( 6.501 -14.848 -1.250) 16.257 15.337 ( 8.498 -2.820 -0.988) 9.008 15.967 ( 0.514 2.707 -1.463) 3.120 16.133 ( -0.536 1.393 -4.201) 4.458 16.386 ( -3.780 -0.453 6.727) 7.729 16.614 ( -7.712 11.462 0.254) 13.817 17.104 ( 5.769 3.329 -0.594) 6.687 17.284 ( 2.970 -6.559 -5.963) 9.349 17.351 ( -0.600 -5.839 -0.902) 5.938 17.490 ( 3.328 -5.276 -5.254) 8.155 18.313 ( 8.446 -4.613 9.286) 13.374 18.693 ( -0.913 4.504 -5.317) 7.028 18.787 ( -2.671 10.176 -0.309) 10.526 19.007 ( 3.646 10.928 1.614) 11.632 19.203 ( -10.759 10.656 -7.679) 16.979 19.604 ( -1.994 20.664 -10.841) 23.420 20.129 ( -2.845 0.514 9.166) 9.611 20.378 ( -9.120 -4.072 7.484) 12.481 21.189 ( 6.661 -4.570 -2.619) 8.492 21.318 ( 11.469 -10.083 -5.869) 16.360 21.674 ( -3.758 -10.894 -0.763) 11.549 21.830 ( -10.215 -11.010 -4.616) 15.712 22.033 ( 4.534 -9.938 4.888) 11.967 22.186 ( 2.082 -9.144 6.190) 11.237 23.097 ( 6.860 -6.801 9.396) 13.475 23.586 ( -4.439 -9.018 -4.232) 10.906 ======================= Grid point 97 (36/81) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 9.746 11.366 3.822) 15.452 1.621 ( -2.167 5.135 8.081) 9.816 1.925 ( 6.218 12.359 3.394) 14.246 2.109 ( -7.474 10.967 1.851) 13.400 2.313 ( 0.860 14.077 0.343) 14.108 2.499 ( -9.272 17.456 2.246) 19.893 2.545 ( 2.433 18.408 -6.476) 19.665 2.613 ( -2.363 19.459 -4.688) 20.155 2.768 ( 2.912 8.338 3.273) 9.419 2.823 ( -2.394 17.483 0.014) 17.646 2.915 ( 2.854 12.938 -0.417) 13.255 3.002 ( 1.411 11.994 2.986) 12.440 3.052 ( 1.200 4.287 9.958) 10.908 3.108 ( 1.847 10.447 3.312) 11.114 3.182 ( -0.275 12.921 1.392) 12.998 3.238 ( 1.093 22.166 0.497) 22.198 3.275 ( 5.877 19.933 4.034) 21.169 3.433 ( -3.395 12.951 3.250) 13.777 3.696 ( 6.874 16.584 0.375) 17.956 3.820 ( 0.407 22.378 5.261) 22.992 3.857 ( 7.189 15.937 5.117) 18.216 3.984 ( -7.134 16.094 1.815) 17.697 4.170 ( -5.452 11.310 -4.854) 13.461 4.190 ( -10.212 16.567 -1.611) 19.528 4.346 ( -0.224 8.416 -4.621) 9.604 4.423 ( -6.487 9.682 -5.332) 12.816 4.879 ( 12.654 5.382 -28.536) 31.677 5.152 ( -11.928 3.337 -17.725) 21.624 5.262 ( 3.139 4.834 -2.077) 6.127 5.300 ( -0.243 6.581 0.488) 6.604 5.919 ( 6.423 -9.237 -2.055) 11.437 5.983 ( -0.163 -8.286 -2.208) 8.577 6.125 ( 4.600 -3.002 21.658) 22.344 6.245 ( -5.757 -3.533 21.023) 22.081 7.051 ( 12.198 -6.724 -4.395) 14.606 7.270 ( -8.483 -7.649 -6.598) 13.191 8.977 ( 8.343 -3.533 9.032) 12.793 9.159 ( -8.956 -4.665 6.874) 12.216 9.769 ( 16.325 5.389 -8.636) 19.239 10.014 ( -4.418 0.208 -10.346) 11.252 10.620 ( 8.538 19.713 -1.943) 21.570 10.805 ( -4.483 37.309 -8.557) 38.539 11.035 ( 0.651 4.148 -1.507) 4.461 11.144 ( -5.025 5.304 0.115) 7.307 11.687 ( 6.117 5.767 7.211) 11.076 11.925 ( -12.908 17.601 -3.999) 22.190 12.273 ( -0.741 4.281 18.756) 19.252 12.338 ( -5.555 18.761 12.234) 23.076 12.844 ( 5.843 -0.477 -2.796) 6.495 13.032 ( -11.167 0.970 -3.584) 11.768 13.267 ( 8.119 0.515 4.519) 9.307 13.456 ( -8.866 2.561 0.545) 9.244 13.664 ( 1.352 16.609 -1.189) 16.706 13.757 ( -6.409 16.899 -2.161) 18.202 14.209 ( 6.916 12.218 -1.010) 14.076 14.352 ( -7.263 13.171 0.599) 15.052 14.854 ( 3.937 0.873 -2.355) 4.670 14.924 ( -2.433 -6.889 -2.208) 7.633 15.441 ( 4.443 -6.626 -2.680) 8.416 15.464 ( 2.841 -3.273 -2.348) 4.929 15.998 ( 2.773 -0.479 1.342) 3.117 16.081 ( -4.320 -1.937 1.854) 5.084 16.359 ( 2.005 1.440 1.898) 3.114 16.454 ( -6.611 5.896 -1.788) 9.037 17.260 ( 6.080 -0.809 0.529) 6.156 17.316 ( -0.327 -4.452 -1.430) 4.688 17.374 ( 4.019 -4.465 -1.256) 6.137 17.481 ( -3.964 -3.377 -1.583) 5.443 18.509 ( 8.935 1.200 -1.903) 9.214 18.645 ( -4.241 8.117 -5.238) 10.550 18.776 ( 2.658 1.166 -3.451) 4.509 18.909 ( -9.467 5.544 -10.992) 15.530 19.214 ( 9.251 21.256 10.077) 25.278 19.442 ( -11.376 20.949 6.191) 24.629 20.148 ( 4.144 -0.866 5.437) 6.891 20.249 ( -5.071 -3.091 5.405) 8.031 21.356 ( 9.605 -6.500 -3.821) 12.210 21.493 ( 5.383 -9.935 -6.929) 13.255 21.578 ( -8.238 -7.466 -7.856) 13.614 21.606 ( -7.167 -12.805 -4.432) 15.329 22.133 ( 4.091 -8.521 8.326) 12.596 22.191 ( -1.432 -8.176 9.268) 12.442 23.274 ( 9.316 -7.704 1.683) 12.205 23.456 ( -7.866 -8.465 -2.606) 11.846 ======================= Grid point 100 (37/81) ======================= q-point: ( 0.00 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.000 14.644 20.534) 25.221 1.727 ( 0.000 16.567 4.095) 17.066 2.102 ( 0.000 9.332 2.431) 9.644 2.493 ( 0.000 10.395 -0.131) 10.396 2.692 ( 0.000 7.214 1.150) 7.305 2.763 ( 0.000 -0.357 0.301) 0.467 2.841 ( 0.000 15.665 -6.336) 16.898 2.857 ( 0.000 3.078 -14.442) 14.766 2.997 ( 0.000 12.893 1.844) 13.024 3.058 ( 0.000 8.396 -2.520) 8.766 3.229 ( 0.000 7.068 6.309) 9.474 3.241 ( 0.000 12.583 -2.545) 12.838 3.265 ( 0.000 10.766 4.557) 11.691 3.352 ( 0.000 32.292 -1.443) 32.324 3.427 ( 0.000 11.334 4.744) 12.287 3.538 ( 0.000 19.698 -2.229) 19.823 3.605 ( 0.000 6.808 9.044) 11.320 3.673 ( 0.000 12.920 6.603) 14.509 3.852 ( 0.000 16.378 -1.192) 16.422 3.897 ( 0.000 30.754 5.160) 31.184 4.103 ( 0.000 15.013 2.138) 15.164 4.519 ( 0.000 1.240 -19.357) 19.397 4.550 ( 0.000 19.732 0.219) 19.733 4.694 ( 0.000 11.275 -3.633) 11.846 4.710 ( 0.000 15.676 -13.439) 20.648 4.920 ( 0.000 25.050 -1.524) 25.097 5.051 ( 0.000 11.474 4.413) 12.293 5.269 ( 0.000 8.941 -5.212) 10.349 5.360 ( 0.000 3.054 -0.708) 3.135 5.533 ( 0.000 18.693 -4.480) 19.222 5.550 ( 0.000 2.736 3.731) 4.627 5.789 ( 0.000 -7.101 3.067) 7.735 6.041 ( 0.000 0.916 6.851) 6.912 6.417 ( 0.000 -0.332 -1.649) 1.682 6.491 ( 0.000 -4.952 13.671) 14.540 7.258 ( 0.000 -10.239 -7.128) 12.476 8.869 ( 0.000 10.519 7.984) 13.206 9.488 ( 0.000 -1.329 -0.888) 1.599 9.576 ( 0.000 -0.437 0.978) 1.071 9.594 ( 0.000 3.985 -6.373) 7.516 10.766 ( 0.000 17.150 4.527) 17.737 11.213 ( 0.000 10.813 -7.913) 13.399 11.366 ( 0.000 1.598 -1.813) 2.417 11.405 ( 0.000 18.186 -1.893) 18.284 11.724 ( 0.000 -1.441 14.474) 14.546 12.028 ( 0.000 11.503 9.974) 15.225 12.603 ( 0.000 -9.955 8.589) 13.147 12.766 ( 0.000 7.674 -12.595) 14.749 12.911 ( 0.000 1.537 -14.299) 14.381 13.288 ( 0.000 5.859 9.654) 11.293 13.507 ( 0.000 5.135 8.455) 9.892 13.785 ( 0.000 5.900 -9.255) 10.976 13.910 ( 0.000 15.236 -5.688) 16.263 14.028 ( 0.000 6.971 -7.544) 10.272 14.208 ( 0.000 2.453 9.936) 10.235 14.616 ( 0.000 -6.991 -1.488) 7.148 14.947 ( 0.000 2.673 -0.442) 2.709 15.119 ( 0.000 18.890 -9.317) 21.062 15.237 ( 0.000 21.535 4.654) 22.032 15.446 ( 0.000 16.726 -0.862) 16.748 16.058 ( 0.000 6.220 5.193) 8.103 16.170 ( 0.000 1.275 -5.014) 5.174 16.461 ( 0.000 1.208 6.498) 6.609 16.875 ( 0.000 -0.436 -6.436) 6.451 17.142 ( 0.000 -1.242 -5.072) 5.221 17.153 ( 0.000 -0.549 -7.436) 7.456 17.220 ( 0.000 -4.589 0.983) 4.694 17.346 ( 0.000 2.375 2.409) 3.383 18.125 ( 0.000 -2.847 13.510) 13.806 18.688 ( 0.000 -2.093 -5.303) 5.702 18.973 ( 0.000 -0.817 3.201) 3.304 19.080 ( 0.000 2.011 -0.327) 2.037 19.449 ( 0.000 7.667 1.380) 7.790 19.884 ( 0.000 8.994 -9.889) 13.367 20.127 ( 0.000 -4.698 4.756) 6.685 20.490 ( 0.000 -4.033 -6.474) 7.627 21.004 ( 0.000 -8.132 0.154) 8.134 21.062 ( 0.000 2.722 -1.035) 2.912 21.508 ( 0.000 -8.628 5.200) 10.074 21.704 ( 0.000 -13.348 -1.967) 13.493 21.787 ( 0.000 -13.733 0.939) 13.765 22.004 ( 0.000 -1.769 -3.007) 3.489 22.892 ( 0.000 -6.800 12.157) 13.930 23.438 ( 0.000 -10.477 -4.257) 11.309 ======================= Grid point 101 (38/81) ======================= q-point: ( 0.20 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.353 14.830 10.132) 17.965 1.758 ( 1.919 12.463 8.775) 15.362 2.106 ( 0.773 11.663 2.312) 11.915 2.417 ( -3.529 11.973 1.949) 12.634 2.688 ( -9.603 6.728 -5.879) 13.116 2.734 ( -0.570 2.642 -3.701) 4.583 2.784 ( 0.517 1.640 1.304) 2.158 2.873 ( 1.800 16.406 -8.524) 18.575 2.961 ( 0.995 10.636 -0.821) 10.714 3.069 ( -0.831 3.519 0.310) 3.629 3.175 ( -6.967 19.754 3.823) 21.292 3.226 ( -6.255 4.282 9.152) 11.884 3.283 ( 3.838 14.667 4.354) 15.774 3.357 ( 4.506 10.258 -1.538) 11.309 3.503 ( -2.755 21.510 -0.122) 21.686 3.551 ( 5.380 14.935 -5.306) 16.738 3.619 ( 3.485 21.480 2.602) 21.916 3.685 ( 2.380 6.207 7.679) 10.157 3.826 ( -2.514 26.113 2.904) 26.394 3.997 ( 10.446 17.782 2.373) 20.759 4.189 ( 6.099 18.398 3.310) 19.663 4.418 ( -6.956 7.386 -12.582) 16.163 4.524 ( -2.524 14.163 -0.927) 14.416 4.564 ( -7.597 14.992 -3.345) 17.136 4.805 ( -7.030 20.091 2.416) 21.422 4.845 ( 8.209 14.004 -17.788) 24.081 5.061 ( -7.219 25.690 -0.119) 26.686 5.319 ( 4.714 11.297 -1.662) 12.354 5.379 ( -0.128 5.329 -7.674) 9.344 5.483 ( 3.066 5.052 -0.966) 5.988 5.626 ( 2.939 5.525 1.900) 6.540 5.799 ( 0.473 -8.266 0.133) 8.281 6.037 ( 0.395 0.604 10.414) 10.439 6.302 ( -5.379 -0.999 11.951) 13.143 6.676 ( 11.238 -5.476 0.832) 12.529 7.220 ( -3.743 -10.189 -6.722) 12.768 8.886 ( 1.769 7.442 8.938) 11.764 9.275 ( -11.178 -5.112 7.748) 14.530 9.654 ( 8.653 11.134 -10.670) 17.683 9.840 ( 11.796 -4.756 -5.652) 13.917 10.784 ( 1.870 15.301 4.110) 15.954 11.179 ( -4.699 5.600 -9.090) 11.664 11.296 ( -0.760 8.643 4.780) 9.906 11.542 ( 2.996 24.860 -4.689) 25.475 11.614 ( -1.075 -3.920 11.617) 12.308 12.181 ( 11.057 9.740 10.079) 17.853 12.562 ( -12.832 3.660 -3.194) 13.720 12.651 ( -0.019 -7.134 -2.946) 7.718 12.915 ( -1.075 11.362 -7.869) 13.863 13.167 ( -8.793 2.066 7.819) 11.946 13.414 ( -8.098 6.363 5.130) 11.506 13.712 ( -7.409 4.201 -5.203) 9.981 13.935 ( 3.069 15.148 -4.331) 16.051 14.056 ( 0.800 5.372 -6.002) 8.095 14.263 ( 5.746 6.492 4.357) 9.703 14.618 ( -0.740 -5.030 -2.303) 5.582 14.922 ( -1.931 5.241 -0.173) 5.588 14.995 ( -7.806 18.453 -3.148) 20.282 15.326 ( 7.455 15.603 1.796) 17.385 15.518 ( 4.024 13.692 -0.708) 14.288 16.074 ( 1.276 8.342 3.271) 9.051 16.152 ( -2.259 0.938 -0.611) 2.521 16.393 ( -3.777 0.874 3.938) 5.526 16.813 ( -7.446 7.424 -10.886) 15.135 17.096 ( 0.174 -7.404 -0.552) 7.427 17.202 ( 0.688 -8.343 -3.408) 9.039 17.253 ( 5.742 5.076 1.617) 7.833 17.413 ( 3.206 -0.751 2.238) 3.981 18.228 ( 9.142 -3.933 8.105) 12.835 18.691 ( 0.668 -2.611 -5.452) 6.082 18.866 ( -7.536 -0.675 1.861) 7.792 19.069 ( -4.867 -3.606 -3.613) 7.053 19.456 ( 3.504 13.775 5.119) 15.107 19.939 ( 2.579 11.374 -7.920) 14.098 20.127 ( -0.292 -1.415 4.480) 4.707 20.310 ( -11.371 -1.896 2.311) 11.757 21.043 ( 3.804 -9.696 -0.643) 10.435 21.182 ( 7.466 -4.398 -7.594) 11.522 21.465 ( -3.204 -9.759 0.784) 10.301 21.622 ( -9.392 -11.548 -3.417) 15.272 21.834 ( 7.043 -9.890 4.800) 13.056 22.053 ( 2.406 -3.294 0.935) 4.185 22.958 ( 5.987 -7.359 8.366) 12.649 23.396 ( -3.983 -10.205 -3.785) 11.590 ======================= Grid point 102 (39/81) ======================= q-point: ( 0.40 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 2.744 11.719 3.292) 12.478 1.753 ( -2.658 8.318 4.878) 10.002 2.172 ( 6.344 13.226 0.106) 14.669 2.349 ( -7.847 13.049 -1.484) 15.299 2.530 ( 2.009 9.908 0.449) 10.120 2.683 ( -7.850 7.051 0.744) 10.578 2.821 ( 5.165 1.299 3.019) 6.122 2.903 ( 0.698 6.954 -2.778) 7.521 2.990 ( -1.203 12.767 -0.740) 12.845 3.003 ( -6.661 9.822 3.863) 12.481 3.076 ( 3.289 4.633 3.551) 6.700 3.143 ( -2.529 8.996 3.371) 9.934 3.360 ( 1.964 18.123 -0.589) 18.239 3.402 ( -3.805 19.268 -2.082) 19.751 3.456 ( 5.821 12.379 3.821) 14.203 3.593 ( -4.668 15.624 3.864) 16.758 3.651 ( 0.821 11.110 2.119) 11.340 3.680 ( -0.343 12.107 1.844) 12.252 3.987 ( 13.621 18.548 -7.251) 24.127 4.214 ( 2.799 21.370 -1.518) 21.605 4.250 ( -1.989 5.492 -6.490) 8.731 4.321 ( 3.775 15.901 1.619) 16.423 4.428 ( -3.353 25.555 5.502) 26.354 4.494 ( -1.383 16.767 1.101) 16.860 4.669 ( -3.794 20.978 3.230) 21.562 4.792 ( -13.635 26.677 1.056) 29.978 5.054 ( 11.311 12.793 -20.945) 27.024 5.281 ( -9.086 10.113 -16.590) 21.448 5.444 ( 5.735 14.605 -1.155) 15.733 5.524 ( -1.379 15.484 -0.421) 15.551 5.726 ( 5.789 -9.018 -0.575) 10.731 5.797 ( -1.071 -10.270 -1.528) 10.438 6.083 ( 4.108 -0.436 16.677) 17.180 6.192 ( -5.642 -1.278 17.119) 18.070 6.908 ( 10.652 -7.666 -3.803) 13.664 7.101 ( -7.709 -9.465 -5.726) 13.483 8.949 ( 4.489 1.699 10.755) 11.778 9.077 ( -7.886 -2.864 11.048) 13.873 9.868 ( 10.058 5.072 -12.635) 16.928 9.983 ( 0.588 -2.350 -11.455) 11.708 10.861 ( 6.104 10.811 3.503) 12.900 11.027 ( -8.851 4.532 -0.226) 9.946 11.331 ( 3.335 11.791 1.982) 12.413 11.425 ( -5.858 12.371 2.670) 13.946 11.848 ( 15.559 13.740 -2.380) 20.893 12.208 ( -18.252 11.046 -8.359) 22.914 12.427 ( 11.454 10.234 13.898) 20.714 12.622 ( -5.508 4.639 4.969) 8.749 12.895 ( 0.768 8.327 -2.584) 8.753 12.996 ( -7.720 -3.250 -4.014) 9.288 13.321 ( 2.973 3.606 5.078) 6.901 13.500 ( -11.491 2.092 1.661) 11.797 14.009 ( 3.383 15.483 -4.745) 16.544 14.057 ( -0.963 10.936 -5.666) 12.354 14.406 ( 7.171 6.083 -0.245) 9.407 14.547 ( -5.979 2.835 -1.894) 6.883 14.885 ( -1.132 7.813 -0.194) 7.897 14.892 ( -1.951 10.025 -0.608) 10.232 15.492 ( 7.063 9.658 1.073) 12.013 15.567 ( 0.097 9.684 0.222) 9.687 16.065 ( -1.616 6.427 4.208) 7.850 16.082 ( -3.327 1.986 4.441) 5.894 16.423 ( 6.850 5.675 -2.725) 9.303 16.613 ( -10.331 10.546 -8.219) 16.896 17.144 ( 2.943 -9.342 -0.476) 9.806 17.191 ( -1.452 -8.541 -1.062) 8.728 17.380 ( 5.005 2.828 2.033) 6.097 17.440 ( -0.727 -0.691 2.926) 3.093 18.456 ( 11.787 -4.908 1.722) 12.883 18.680 ( -8.688 -2.624 -0.572) 9.094 18.751 ( 3.703 -3.907 -4.381) 6.940 18.898 ( -9.294 -4.476 -5.778) 11.824 19.609 ( 10.207 17.117 7.600) 21.329 19.842 ( -11.024 17.888 3.272) 21.265 20.142 ( 2.344 0.279 1.703) 2.911 20.187 ( -2.102 -3.189 2.801) 4.736 21.162 ( 7.500 -12.907 -3.251) 15.278 21.288 ( 0.578 -12.821 -10.089) 16.325 21.386 ( -3.484 -8.135 -1.433) 8.965 21.434 ( -6.186 -7.672 -2.634) 10.201 21.981 ( 5.999 -6.142 5.689) 10.299 22.062 ( -1.693 -4.125 4.615) 6.417 23.114 ( 8.336 -8.485 2.032) 12.067 23.279 ( -7.118 -9.494 -2.001) 12.034 ======================= Grid point 105 (40/81) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 0.000 10.034 10.679) 14.653 1.999 ( 0.000 11.888 1.682) 12.006 2.310 ( 0.000 11.903 5.494) 13.110 2.647 ( 0.000 6.160 -2.638) 6.701 2.712 ( 0.000 -4.132 3.218) 5.237 2.829 ( 0.000 6.753 -0.804) 6.800 2.901 ( 0.000 1.993 -13.019) 13.170 3.036 ( 0.000 5.077 -4.889) 7.048 3.164 ( 0.000 3.603 -2.021) 4.131 3.226 ( 0.000 12.032 3.487) 12.527 3.338 ( 0.000 4.997 6.095) 7.882 3.353 ( 0.000 1.122 1.834) 2.150 3.485 ( 0.000 10.868 -6.083) 12.455 3.624 ( 0.000 0.969 17.911) 17.937 3.713 ( 0.000 7.153 -8.453) 11.074 3.762 ( 0.000 18.822 1.256) 18.864 3.943 ( 0.000 15.693 -2.642) 15.914 4.004 ( 0.000 17.578 0.892) 17.601 4.102 ( 0.000 7.534 0.228) 7.537 4.290 ( 0.000 4.649 -1.928) 5.033 4.522 ( 0.000 28.086 -1.493) 28.126 4.589 ( 0.000 7.056 -9.917) 12.171 4.794 ( 0.000 11.994 -1.589) 12.099 5.003 ( 0.000 -0.512 8.599) 8.614 5.026 ( 0.000 17.326 -6.571) 18.530 5.132 ( 0.000 20.120 3.357) 20.398 5.290 ( 0.000 2.562 -1.627) 3.035 5.502 ( 0.000 11.363 2.854) 11.716 5.515 ( 0.000 17.646 -2.623) 17.840 5.695 ( 0.000 4.254 9.612) 10.511 5.842 ( 0.000 19.201 1.113) 19.233 5.844 ( 0.000 9.532 -10.326) 14.053 6.231 ( 0.000 19.843 0.111) 19.843 6.447 ( 0.000 1.877 12.229) 12.373 6.475 ( 0.000 7.753 -3.799) 8.633 7.046 ( 0.000 -10.856 -5.428) 12.137 9.177 ( 0.000 20.983 6.866) 22.078 9.310 ( 0.000 -10.170 6.045) 11.831 9.544 ( 0.000 -3.179 0.508) 3.219 9.811 ( 0.000 12.026 -9.426) 15.279 11.144 ( 0.000 21.249 5.136) 21.861 11.360 ( 0.000 6.337 -6.588) 9.141 11.360 ( 0.000 -2.997 0.520) 3.041 11.761 ( 0.000 18.282 -4.548) 18.839 11.810 ( 0.000 11.343 6.924) 13.289 12.206 ( 0.000 4.634 4.050) 6.154 12.449 ( 0.000 -5.074 10.857) 11.984 12.799 ( 0.000 -3.585 -11.957) 12.482 12.821 ( 0.000 -7.047 -11.385) 13.389 13.412 ( 0.000 6.627 10.554) 12.462 13.534 ( 0.000 -0.601 9.388) 9.408 13.867 ( 0.000 2.332 -12.129) 12.351 14.061 ( 0.000 -0.305 -0.888) 0.939 14.135 ( 0.000 4.327 -5.348) 6.880 14.299 ( 0.000 7.369 4.689) 8.735 14.507 ( 0.000 -3.244 -0.907) 3.368 15.267 ( 0.000 24.886 -1.717) 24.945 15.505 ( 0.000 19.132 -8.303) 20.856 15.630 ( 0.000 17.426 6.838) 18.720 15.767 ( 0.000 15.199 1.189) 15.245 16.197 ( 0.000 7.477 6.080) 9.637 16.204 ( 0.000 2.656 -2.190) 3.442 16.472 ( 0.000 -0.550 4.106) 4.143 16.730 ( 0.000 -10.839 -4.708) 11.817 16.967 ( 0.000 -11.110 -5.618) 12.450 17.031 ( 0.000 -7.938 -2.910) 8.455 17.374 ( 0.000 9.540 2.529) 9.869 17.499 ( 0.000 10.529 -1.099) 10.587 18.105 ( 0.000 0.890 9.416) 9.458 18.625 ( 0.000 -4.151 -5.168) 6.628 18.929 ( 0.000 -3.582 2.129) 4.167 19.020 ( 0.000 -6.090 0.018) 6.090 19.563 ( 0.000 2.219 4.173) 4.726 19.928 ( 0.000 -4.506 -3.465) 5.684 20.002 ( 0.000 -7.256 3.312) 7.976 20.415 ( 0.000 -3.553 -9.363) 10.014 20.895 ( 0.000 -2.398 1.784) 2.989 21.127 ( 0.000 2.806 -7.244) 7.769 21.398 ( 0.000 -5.813 3.282) 6.675 21.402 ( 0.000 -16.966 0.558) 16.975 21.545 ( 0.000 -7.053 6.565) 9.636 22.037 ( 0.000 4.148 -7.763) 8.801 22.763 ( 0.000 -6.385 10.483) 12.274 23.238 ( 0.000 -9.884 -3.857) 10.610 ======================= Grid point 106 (41/81) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.445 9.538 7.896) 12.390 1.985 ( -1.553 11.071 1.902) 11.340 2.348 ( 3.121 12.767 3.938) 13.720 2.638 ( 0.912 9.941 0.172) 9.985 2.727 ( 1.345 -2.089 0.450) 2.525 2.806 ( -8.175 4.812 -11.621) 15.001 2.829 ( -1.069 3.681 -0.470) 3.861 3.069 ( 1.047 2.040 -1.188) 2.583 3.086 ( -1.279 2.870 -1.842) 3.642 3.151 ( -4.057 9.918 0.207) 10.718 3.302 ( -6.455 3.803 9.087) 11.778 3.414 ( 0.732 6.528 0.170) 6.571 3.543 ( -0.387 8.721 11.858) 14.724 3.570 ( 3.556 9.408 -3.101) 10.525 3.688 ( 2.359 4.396 -3.859) 6.307 3.847 ( -3.360 11.691 -2.603) 12.440 3.876 ( 1.263 14.681 0.577) 14.746 4.007 ( -0.193 15.330 0.205) 15.333 4.189 ( 2.103 9.715 -1.398) 10.038 4.263 ( 1.115 5.208 -0.700) 5.372 4.523 ( 2.791 13.954 -2.198) 14.399 4.610 ( -0.797 14.880 -8.279) 17.047 4.786 ( 1.189 17.902 -0.426) 17.946 4.957 ( -2.574 17.451 1.668) 17.718 5.046 ( 0.569 7.489 4.596) 8.805 5.197 ( 5.515 18.819 -7.130) 20.867 5.371 ( 6.116 2.707 1.077) 6.774 5.488 ( 1.261 8.306 1.448) 8.525 5.592 ( -3.827 12.659 0.184) 13.226 5.655 ( -1.902 13.749 0.312) 13.884 5.719 ( 1.592 9.904 3.460) 10.611 5.924 ( 0.734 16.430 -3.964) 16.918 6.209 ( -1.796 18.477 1.056) 18.594 6.341 ( -5.398 5.972 7.964) 11.324 6.611 ( 7.906 0.239 -0.218) 7.912 7.014 ( -3.049 -10.247 -5.052) 11.825 9.126 ( -4.049 15.509 7.837) 17.842 9.184 ( -6.761 -1.968 9.140) 11.538 9.725 ( 11.546 -5.921 -4.029) 13.587 9.878 ( 5.266 10.260 -10.800) 15.800 11.128 ( -0.924 19.987 3.552) 20.321 11.301 ( -3.449 6.528 -5.313) 9.096 11.420 ( 2.977 1.658 1.819) 3.863 11.609 ( -7.140 7.214 8.512) 13.246 11.954 ( 8.251 17.635 -7.481) 20.858 12.337 ( 10.357 4.519 4.808) 12.280 12.504 ( 3.945 -5.017 2.927) 7.021 12.619 ( -8.866 1.805 -3.310) 9.634 12.906 ( 1.462 -6.747 -9.417) 11.676 13.314 ( -8.942 8.546 9.379) 15.523 13.464 ( -5.641 0.355 6.957) 8.964 13.771 ( -8.826 2.229 -5.595) 10.685 14.101 ( 2.571 -0.496 -4.958) 5.607 14.139 ( 2.083 5.562 -3.375) 6.831 14.355 ( 4.158 4.323 0.751) 6.045 14.512 ( 0.303 -3.921 -1.222) 4.118 15.235 ( -2.235 23.446 0.311) 23.554 15.408 ( -7.175 21.089 -3.628) 22.570 15.639 ( 1.672 14.181 2.981) 14.588 15.784 ( -0.482 12.254 1.251) 12.327 16.187 ( -1.758 2.922 1.412) 3.691 16.270 ( 2.953 10.177 4.957) 11.699 16.408 ( -0.488 1.024 0.718) 1.342 16.805 ( 6.108 -8.628 -4.807) 11.612 16.971 ( -1.698 -4.814 -7.694) 9.234 17.035 ( 0.245 -8.372 -2.919) 8.870 17.349 ( -0.581 5.895 6.240) 8.604 17.515 ( -0.086 9.013 0.659) 9.038 18.158 ( 5.585 -3.410 6.407) 9.158 18.606 ( -0.969 -5.856 -5.123) 7.841 18.808 ( -9.357 -4.839 1.872) 10.700 18.953 ( -7.208 -7.618 -1.909) 10.660 19.639 ( 7.482 4.594 5.822) 10.534 20.019 ( 7.038 -3.039 -2.911) 8.201 20.059 ( 4.704 -4.554 2.555) 7.028 20.333 ( -7.950 3.260 -4.565) 9.730 20.885 ( -0.433 -5.278 0.371) 5.309 21.084 ( -2.494 -7.038 -6.383) 9.823 21.296 ( -3.929 -8.405 0.868) 9.319 21.378 ( -5.658 -12.467 0.283) 13.693 21.704 ( 11.655 -2.070 5.388) 13.006 22.059 ( 1.022 3.089 -4.854) 5.843 22.817 ( 5.001 -7.043 7.492) 11.435 23.201 ( -3.520 -9.657 -3.354) 10.812 ======================= Grid point 107 (42/81) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.965 9.485 3.726) 10.236 1.936 ( -2.759 10.110 2.134) 10.695 2.429 ( 5.285 12.841 -3.360) 14.287 2.585 ( -9.364 10.574 -8.445) 16.456 2.725 ( 4.375 9.448 3.890) 11.115 2.782 ( 0.170 2.800 -1.733) 3.297 2.825 ( 4.939 0.523 2.477) 5.550 3.018 ( -8.809 6.596 3.934) 11.687 3.059 ( -1.103 2.397 5.570) 6.164 3.083 ( -3.036 0.566 6.016) 6.762 3.244 ( 4.793 7.719 -2.944) 9.552 3.356 ( -4.321 8.464 -3.496) 10.126 3.575 ( 0.060 4.536 0.875) 4.620 3.596 ( 0.450 3.708 4.799) 6.082 3.767 ( 0.922 14.854 1.077) 14.921 3.804 ( 2.709 9.398 -1.905) 9.965 3.877 ( -0.610 10.954 2.183) 11.186 3.950 ( -4.529 12.813 0.893) 13.619 4.228 ( 4.617 7.359 -6.521) 10.862 4.314 ( -1.321 3.402 -5.212) 6.362 4.567 ( 1.466 13.315 -2.597) 13.645 4.600 ( -0.121 13.345 -2.376) 13.556 4.854 ( 4.378 18.582 1.076) 19.121 4.946 ( -2.095 22.194 2.825) 22.471 5.049 ( 5.564 16.591 2.528) 17.681 5.271 ( -10.016 17.778 -4.127) 20.819 5.390 ( 5.829 22.563 -5.030) 23.841 5.508 ( -1.728 9.248 -3.124) 9.913 5.533 ( 5.091 -5.429 2.712) 7.922 5.644 ( -5.238 1.607 2.592) 6.061 5.819 ( 7.146 20.579 -2.055) 21.881 5.917 ( -1.665 18.763 -0.479) 18.843 6.180 ( -0.054 12.688 5.191) 13.709 6.233 ( -4.648 6.787 8.846) 12.080 6.777 ( 7.785 -4.832 -2.766) 9.571 6.921 ( -5.883 -8.306 -4.189) 11.007 9.061 ( -1.269 7.823 10.060) 12.807 9.082 ( -3.146 6.012 11.001) 12.926 9.922 ( 6.339 -2.907 -9.996) 12.189 9.966 ( 1.863 3.741 -12.071) 12.774 11.136 ( 2.086 17.639 0.942) 17.787 11.212 ( -4.702 13.710 -2.867) 14.775 11.471 ( 1.857 2.627 5.838) 6.666 11.511 ( -2.632 1.819 9.173) 9.715 12.151 ( 10.551 13.343 -10.980) 20.246 12.373 ( -10.674 4.507 -14.206) 18.332 12.552 ( 9.299 1.087 4.215) 10.267 12.653 ( 2.836 5.856 13.030) 14.564 12.909 ( 1.895 -4.186 -3.807) 5.967 13.085 ( -11.944 6.664 6.944) 15.340 13.395 ( 1.873 4.768 4.009) 6.505 13.549 ( -11.007 3.133 0.384) 11.450 14.160 ( 2.695 0.858 -5.967) 6.603 14.183 ( 0.786 3.230 -5.046) 6.042 14.442 ( 3.919 0.077 -1.799) 4.313 14.503 ( -1.655 -3.410 -1.867) 4.225 15.213 ( 0.734 22.798 1.472) 22.857 15.273 ( -5.030 22.916 -0.209) 23.463 15.693 ( 3.135 9.262 2.229) 10.029 15.751 ( -2.244 8.243 1.342) 8.647 16.147 ( -0.955 4.305 4.167) 6.067 16.188 ( -4.965 4.919 4.775) 8.465 16.602 ( 13.098 12.054 -4.324) 18.318 16.847 ( -8.925 11.829 -10.986) 18.447 16.942 ( 4.701 -10.607 0.092) 11.603 17.016 ( -2.143 -8.902 -1.441) 9.269 17.384 ( 3.646 -1.417 6.451) 7.545 17.471 ( -3.871 2.492 2.970) 5.479 18.337 ( 11.071 -7.200 2.459) 13.433 18.583 ( -11.738 -6.807 1.203) 13.622 18.630 ( 3.811 -8.084 -4.428) 9.974 18.770 ( -8.920 -8.412 -3.485) 12.747 19.847 ( 11.866 7.111 6.072) 15.107 20.100 ( -10.313 3.426 3.290) 11.354 20.149 ( 3.444 2.855 -1.529) 4.727 20.160 ( 1.315 3.088 0.238) 3.365 20.909 ( 3.391 -11.722 -2.815) 12.523 21.014 ( -5.275 -14.580 -6.462) 16.798 21.238 ( -0.249 -7.968 0.500) 7.987 21.280 ( -3.443 -7.867 0.667) 8.613 21.921 ( 8.475 0.085 2.603) 8.867 22.042 ( -3.122 1.684 -0.383) 3.568 22.951 ( 7.310 -8.174 2.100) 11.165 23.097 ( -6.337 -9.058 -1.590) 11.169 ======================= Grid point 110 (43/81) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 0.000 6.048 5.252) 8.010 2.201 ( 0.000 8.939 -0.709) 8.967 2.546 ( 0.000 11.772 5.158) 12.852 2.611 ( 0.000 -5.142 5.159) 7.284 2.766 ( 0.000 5.954 -2.536) 6.472 2.890 ( 0.000 -0.281 -6.975) 6.980 2.999 ( 0.000 7.676 -4.745) 9.024 3.087 ( 0.000 1.041 -3.129) 3.298 3.225 ( 0.000 3.464 -0.769) 3.548 3.362 ( 0.000 0.293 0.612) 0.678 3.432 ( 0.000 4.454 3.036) 5.390 3.449 ( 0.000 9.888 0.663) 9.910 3.642 ( 0.000 1.180 12.615) 12.670 3.654 ( 0.000 7.240 -6.182) 9.520 3.770 ( 0.000 0.827 -3.708) 3.799 4.064 ( 0.000 10.921 -0.721) 10.945 4.142 ( 0.000 2.549 -1.485) 2.950 4.155 ( 0.000 -0.475 -1.130) 1.225 4.212 ( 0.000 4.135 0.145) 4.138 4.323 ( 0.000 0.069 -3.242) 3.243 4.726 ( 0.000 0.626 1.771) 1.879 4.743 ( 0.000 5.241 2.239) 5.699 5.028 ( 0.000 13.821 2.490) 14.043 5.197 ( 0.000 -2.964 -6.980) 7.584 5.271 ( 0.000 19.994 -2.178) 20.112 5.351 ( 0.000 9.899 0.856) 9.935 5.532 ( 0.000 19.028 -0.315) 19.030 5.628 ( 0.000 3.664 4.687) 5.949 5.764 ( 0.000 14.521 4.494) 15.201 5.915 ( 0.000 7.367 -3.024) 7.963 6.133 ( 0.000 21.469 -2.002) 21.562 6.139 ( 0.000 11.473 5.683) 12.803 6.573 ( 0.000 12.138 9.041) 15.135 6.696 ( 0.000 23.350 -4.423) 23.765 6.707 ( 0.000 10.682 -8.310) 13.534 6.908 ( 0.000 1.913 -0.104) 1.916 9.136 ( 0.000 -7.462 5.969) 9.555 9.443 ( 0.000 -7.120 -1.268) 7.232 9.660 ( 0.000 27.580 4.157) 27.892 10.046 ( 0.000 12.558 -5.525) 13.719 11.270 ( 0.000 -4.757 3.419) 5.858 11.484 ( 0.000 5.752 -5.666) 8.074 11.567 ( 0.000 20.788 1.113) 20.818 12.007 ( 0.000 3.196 -8.633) 9.206 12.113 ( 0.000 17.391 1.996) 17.506 12.286 ( 0.000 7.467 7.141) 10.332 12.392 ( 0.000 -0.729 4.582) 4.639 12.665 ( 0.000 -8.820 -4.098) 9.725 12.747 ( 0.000 0.197 -0.914) 0.935 13.507 ( 0.000 1.874 0.698) 1.999 13.546 ( 0.000 3.319 7.862) 8.534 13.896 ( 0.000 1.775 -13.447) 13.563 13.984 ( 0.000 -5.938 2.321) 6.375 14.220 ( 0.000 4.644 -2.435) 5.244 14.466 ( 0.000 9.375 1.384) 9.477 14.504 ( 0.000 2.828 0.197) 2.835 15.718 ( 0.000 18.228 -2.548) 18.406 15.811 ( 0.000 11.403 -4.147) 12.134 15.912 ( 0.000 12.847 6.193) 14.261 16.012 ( 0.000 9.774 2.870) 10.187 16.279 ( 0.000 4.958 0.626) 4.997 16.316 ( 0.000 3.262 2.223) 3.948 16.426 ( 0.000 -4.371 1.858) 4.750 16.524 ( 0.000 -8.253 2.273) 8.560 16.781 ( 0.000 -7.447 -5.157) 9.059 16.881 ( 0.000 -6.985 -2.693) 7.486 17.506 ( 0.000 4.095 2.119) 4.611 17.673 ( 0.000 6.089 -2.818) 6.709 18.157 ( 0.000 4.098 5.314) 6.710 18.545 ( 0.000 -3.629 -4.519) 5.796 18.837 ( 0.000 -5.850 1.120) 5.956 18.873 ( 0.000 -8.662 1.040) 8.724 19.528 ( 0.000 -5.014 2.000) 5.398 19.747 ( 0.000 -12.318 -2.851) 12.644 19.884 ( 0.000 -4.317 5.063) 6.653 20.343 ( 0.000 -4.487 -6.827) 8.169 20.901 ( 0.000 2.085 2.628) 3.355 21.069 ( 0.000 -16.542 0.797) 16.561 21.144 ( 0.000 -4.595 -5.157) 6.907 21.178 ( 0.000 -9.460 -2.491) 9.782 21.609 ( 0.000 8.713 8.587) 12.233 22.136 ( 0.000 5.483 -9.049) 10.581 22.646 ( 0.000 -5.586 9.360) 10.900 23.057 ( 0.000 -8.705 -3.458) 9.367 ======================= Grid point 111 (44/81) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -0.254 6.340 4.655) 7.869 2.185 ( -1.775 9.393 -0.137) 9.561 2.584 ( 3.162 11.092 2.089) 11.722 2.652 ( 3.396 -4.352 1.651) 5.762 2.799 ( 3.361 6.172 0.137) 7.030 2.865 ( -2.486 0.515 -7.042) 7.485 2.943 ( -5.071 7.913 -5.304) 10.792 3.089 ( -0.337 0.669 -0.262) 0.794 3.136 ( -2.985 3.840 0.693) 4.913 3.327 ( -3.097 5.867 0.860) 6.690 3.385 ( -3.858 5.991 4.709) 8.541 3.536 ( 1.300 6.292 3.512) 7.323 3.617 ( -0.229 1.728 10.794) 10.934 3.678 ( -3.267 2.071 -4.351) 5.822 3.763 ( 6.655 3.816 -7.802) 10.942 3.996 ( -5.497 1.783 -1.194) 5.901 4.084 ( -1.970 5.358 1.898) 6.016 4.219 ( 0.618 8.130 -3.505) 8.875 4.274 ( -1.747 -0.612 -0.298) 1.875 4.327 ( 7.464 2.719 -2.738) 8.403 4.716 ( 0.346 0.434 1.563) 1.659 4.745 ( 0.649 6.428 1.790) 6.704 5.065 ( 0.833 12.086 -4.189) 12.818 5.169 ( -1.846 0.073 -6.297) 6.562 5.315 ( 3.307 15.014 -1.739) 15.472 5.382 ( 3.860 7.356 6.345) 10.453 5.559 ( 3.241 17.508 -1.840) 17.900 5.676 ( -0.156 4.615 7.643) 8.929 5.778 ( 4.125 15.218 3.789) 16.216 5.867 ( -4.307 12.185 1.522) 13.013 6.107 ( 2.355 17.038 -2.238) 17.345 6.243 ( 4.315 16.142 -0.600) 16.720 6.518 ( -4.446 11.927 5.635) 13.920 6.644 ( -4.187 22.539 -3.323) 23.164 6.729 ( 1.445 9.151 -5.099) 10.575 6.888 ( -1.887 1.829 -0.275) 2.642 9.128 ( 0.777 -0.986 7.137) 7.246 9.548 ( -7.251 22.047 5.099) 23.762 9.589 ( 10.240 -5.547 -2.737) 11.964 10.080 ( 1.303 10.661 -7.543) 13.124 11.304 ( 3.083 -4.189 3.040) 6.025 11.483 ( -0.397 5.919 -4.219) 7.280 11.548 ( -0.848 20.172 2.108) 20.300 11.867 ( -10.787 16.682 0.571) 19.874 12.133 ( 5.359 -0.364 -5.894) 7.974 12.349 ( 1.368 -2.391 -0.509) 2.801 12.549 ( 8.395 10.810 -2.905) 13.992 12.643 ( 4.405 -3.417 7.994) 9.746 12.795 ( 1.971 0.116 -0.718) 2.101 13.401 ( -11.539 2.148 9.897) 15.353 13.512 ( 0.279 3.637 -1.431) 3.918 13.794 ( -7.675 -0.227 -3.796) 8.565 14.070 ( 4.825 -1.060 -5.489) 7.385 14.213 ( -0.255 3.441 -2.431) 4.221 14.465 ( -0.086 6.673 -0.510) 6.693 14.492 ( -1.029 2.170 -0.164) 2.407 15.671 ( -3.249 18.671 -0.675) 18.963 15.766 ( -4.525 15.167 -0.590) 15.839 15.847 ( -2.374 7.681 3.061) 8.602 15.973 ( -4.135 7.360 1.511) 8.576 16.255 ( -1.353 3.496 1.759) 4.141 16.348 ( -5.093 -1.046 2.207) 5.648 16.493 ( 12.925 4.029 0.413) 13.545 16.618 ( 7.147 -7.234 3.570) 10.778 16.849 ( 2.782 -7.395 -3.244) 8.541 16.905 ( 4.810 -3.919 -6.665) 9.106 17.455 ( -4.517 3.642 4.236) 7.184 17.695 ( -1.292 8.447 -2.808) 8.995 18.089 ( -2.687 -3.758 5.142) 6.912 18.484 ( -4.155 -6.134 -4.817) 8.837 18.688 ( -11.156 -7.360 1.434) 13.442 18.786 ( -8.620 -9.213 -0.771) 12.641 19.646 ( 10.294 -3.004 3.005) 11.137 19.874 ( 10.238 -10.360 -2.877) 14.847 19.984 ( 7.980 -2.631 4.696) 9.626 20.383 ( 1.450 1.124 -5.412) 5.714 20.842 ( -6.203 -0.988 -0.195) 6.284 20.872 ( -9.320 -13.123 -0.500) 16.104 21.120 ( -3.224 -10.421 0.587) 10.924 21.200 ( -0.907 -4.759 -1.130) 4.974 21.752 ( 10.952 5.885 4.632) 13.268 22.145 ( 0.114 5.250 -6.859) 8.638 22.686 ( 3.856 -6.452 6.924) 10.219 23.024 ( -3.206 -8.590 -2.989) 9.644 ======================= Grid point 112 (45/81) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 2.248 7.891 2.764) 8.658 2.126 ( -3.544 9.214 0.984) 9.921 2.658 ( 4.112 10.399 -4.833) 12.182 2.728 ( 1.898 -0.344 -3.986) 4.428 2.775 ( -3.732 4.737 -7.018) 9.253 2.809 ( -3.089 -1.065 -3.549) 4.824 2.968 ( 8.073 10.289 6.562) 14.632 3.083 ( 0.214 0.719 5.804) 5.852 3.099 ( -1.727 3.621 2.391) 4.670 3.205 ( -10.076 9.981 8.447) 16.507 3.355 ( 4.675 4.297 -0.855) 6.408 3.481 ( -5.661 4.992 -1.114) 7.630 3.614 ( -0.079 0.729 0.741) 1.042 3.637 ( -0.930 2.319 2.777) 3.736 3.922 ( 3.229 2.564 -4.492) 6.097 3.942 ( 3.020 3.145 2.246) 4.905 4.020 ( -1.717 3.076 2.309) 4.212 4.118 ( -6.443 4.451 -1.178) 7.919 4.352 ( 5.011 6.606 -4.632) 9.497 4.417 ( 0.007 6.263 -5.831) 8.557 4.738 ( 2.362 0.513 1.706) 2.959 4.774 ( 0.294 3.756 0.378) 3.787 5.062 ( 0.686 7.322 -7.182) 10.279 5.115 ( -3.411 1.117 -6.749) 7.644 5.415 ( 6.611 15.574 0.371) 16.923 5.499 ( 5.988 3.673 11.075) 13.115 5.563 ( -5.246 14.108 -2.759) 15.303 5.610 ( -4.199 5.554 11.298) 13.272 5.845 ( 3.443 21.758 0.979) 22.050 5.882 ( 2.330 15.311 2.702) 15.721 6.175 ( 3.944 15.241 -3.528) 16.134 6.269 ( -3.107 15.574 -1.632) 15.965 6.460 ( 1.128 16.134 1.414) 16.235 6.541 ( -5.209 20.192 -1.910) 20.941 6.771 ( 2.650 4.824 -2.156) 5.911 6.834 ( -3.134 2.234 -0.849) 3.941 9.198 ( 5.898 9.372 8.278) 13.826 9.358 ( -9.116 18.315 7.845) 21.911 9.847 ( 12.101 -4.183 -7.158) 14.669 10.040 ( -5.749 3.716 -9.049) 11.347 11.384 ( 4.161 -1.352 1.109) 4.514 11.455 ( -2.396 4.562 -1.746) 5.440 11.564 ( 2.706 18.586 3.937) 19.190 11.670 ( -7.608 17.775 3.548) 19.658 12.256 ( 5.504 -2.863 -9.573) 11.408 12.340 ( -2.421 -5.438 -10.821) 12.350 12.630 ( 5.491 5.174 2.872) 8.073 12.760 ( -4.643 -0.131 -2.578) 5.312 12.911 ( 13.333 9.386 12.010) 20.251 13.158 ( -11.041 2.819 13.970) 18.028 13.520 ( 1.474 6.897 -2.612) 7.521 13.620 ( -7.875 3.691 -0.851) 8.738 14.152 ( 3.391 0.103 -5.835) 6.750 14.205 ( -1.295 0.610 -4.299) 4.532 14.464 ( 0.071 2.154 -2.129) 3.029 14.472 ( -0.713 0.843 -1.519) 1.878 15.637 ( 0.528 18.655 2.006) 18.770 15.681 ( -3.234 18.140 2.600) 18.608 15.823 ( 0.420 4.199 0.278) 4.230 15.877 ( -4.350 5.101 0.006) 6.704 16.230 ( -0.495 3.770 2.744) 4.689 16.256 ( -3.090 2.511 2.491) 4.697 16.734 ( 6.542 -7.990 0.653) 10.347 16.780 ( 5.714 -0.916 -0.319) 5.795 16.878 ( 5.512 -2.652 -0.607) 6.147 17.028 ( 0.597 6.428 -9.500) 11.486 17.362 ( -0.096 -1.322 7.049) 7.172 17.532 ( -11.932 4.968 0.547) 12.936 18.178 ( 10.034 -9.201 2.293) 13.806 18.429 ( -13.008 -8.695 1.225) 15.694 18.457 ( 2.555 -9.131 -4.229) 10.382 18.587 ( -9.065 -9.795 -2.496) 13.578 19.898 ( 12.694 -0.947 2.922) 13.061 20.060 ( 2.106 -3.923 -0.169) 4.455 20.135 ( 7.216 -3.120 1.410) 7.987 20.298 ( -8.181 4.776 -1.141) 9.541 20.739 ( -1.580 -11.214 -1.490) 11.423 20.756 ( -3.343 -4.989 -1.725) 6.248 21.081 ( 0.685 -8.030 1.514) 8.200 21.142 ( -3.916 -6.124 0.189) 7.271 21.970 ( 9.056 4.430 1.107) 10.142 22.108 ( -4.093 4.702 -2.359) 6.665 22.797 ( 6.415 -7.663 2.025) 10.197 22.929 ( -5.784 -8.274 -1.375) 10.189 ======================= Grid point 115 (46/81) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.000 4.004 2.696) 4.827 2.329 ( 0.000 3.160 -3.751) 4.905 2.540 ( 0.000 -0.845 6.849) 6.901 2.748 ( 0.000 8.702 3.004) 9.206 2.855 ( 0.000 -3.065 -4.357) 5.327 2.892 ( 0.000 7.089 -1.869) 7.332 3.092 ( 0.000 -0.281 -1.586) 1.611 3.151 ( 0.000 7.461 -4.629) 8.781 3.322 ( 0.000 6.621 -0.441) 6.636 3.372 ( 0.000 0.859 0.458) 0.974 3.490 ( 0.000 1.173 -0.762) 1.399 3.585 ( 0.000 4.046 -3.611) 5.423 3.682 ( 0.000 3.221 8.409) 9.005 3.789 ( 0.000 6.438 -0.108) 6.439 3.798 ( 0.000 2.442 2.808) 3.721 4.063 ( 0.000 -7.968 2.299) 8.293 4.100 ( 0.000 -3.361 -4.051) 5.264 4.162 ( 0.000 -2.235 0.156) 2.241 4.206 ( 0.000 -2.710 0.709) 2.801 4.356 ( 0.000 3.803 -3.570) 5.216 4.709 ( 0.000 -6.444 5.001) 8.157 4.806 ( 0.000 6.225 -2.713) 6.790 5.206 ( 0.000 2.007 -6.496) 6.798 5.278 ( 0.000 10.141 6.353) 11.967 5.434 ( 0.000 1.671 5.317) 5.573 5.447 ( 0.000 -0.267 -10.745) 10.748 5.774 ( 0.000 9.069 3.267) 9.639 5.901 ( 0.000 16.426 -5.187) 17.226 6.020 ( 0.000 10.460 8.005) 13.171 6.064 ( 0.000 8.504 -3.421) 9.166 6.317 ( 0.000 8.638 5.797) 10.403 6.497 ( 0.000 14.568 -2.460) 14.774 6.816 ( 0.000 7.167 -1.645) 7.353 6.826 ( 0.000 12.642 6.918) 14.411 7.115 ( 0.000 18.653 -4.469) 19.181 7.165 ( 0.000 16.135 -1.682) 16.222 9.024 ( 0.000 -4.028 3.653) 5.438 9.277 ( 0.000 -9.258 -2.482) 9.585 10.207 ( 0.000 27.444 0.769) 27.455 10.308 ( 0.000 14.276 -1.177) 14.325 11.209 ( 0.000 -0.683 1.825) 1.949 11.529 ( 0.000 -2.027 -7.189) 7.470 11.900 ( 0.000 11.094 -3.705) 11.697 11.952 ( 0.000 -6.660 -0.891) 6.719 12.302 ( 0.000 -3.010 6.406) 7.078 12.340 ( 0.000 0.537 6.485) 6.508 12.558 ( 0.000 14.266 1.264) 14.322 12.626 ( 0.000 10.935 -0.521) 10.947 12.812 ( 0.000 6.064 2.034) 6.396 13.466 ( 0.000 -5.438 -7.544) 9.300 13.641 ( 0.000 1.583 2.318) 2.807 13.929 ( 0.000 5.440 6.887) 8.777 13.932 ( 0.000 0.007 -8.968) 8.968 14.326 ( 0.000 7.056 -1.956) 7.322 14.590 ( 0.000 4.793 2.457) 5.386 14.642 ( 0.000 8.092 0.601) 8.114 15.935 ( 0.000 2.006 -2.356) 3.094 15.935 ( 0.000 5.957 2.791) 6.579 16.137 ( 0.000 8.018 -4.379) 9.136 16.141 ( 0.000 3.367 3.104) 4.579 16.262 ( 0.000 -5.415 -1.526) 5.625 16.311 ( 0.000 -6.617 -0.636) 6.648 16.396 ( 0.000 7.037 4.384) 8.291 16.498 ( 0.000 2.838 5.016) 5.763 16.697 ( 0.000 -1.189 -4.092) 4.261 16.772 ( 0.000 -4.115 -2.570) 4.852 17.555 ( 0.000 1.603 2.630) 3.080 17.722 ( 0.000 -0.509 -1.668) 1.743 18.248 ( 0.000 4.870 2.120) 5.312 18.488 ( 0.000 -2.388 -3.832) 4.515 18.697 ( 0.000 -8.959 1.170) 9.036 18.708 ( 0.000 -7.085 0.170) 7.087 19.410 ( 0.000 -6.244 -1.664) 6.462 19.508 ( 0.000 -11.249 -3.029) 11.650 19.836 ( 0.000 -0.843 7.709) 7.755 20.227 ( 0.000 -7.585 -1.483) 7.728 20.775 ( 0.000 -12.100 -1.306) 12.170 20.900 ( 0.000 -12.558 -2.423) 12.790 20.959 ( 0.000 2.640 2.727) 3.795 21.143 ( 0.000 -1.559 -3.408) 3.748 21.796 ( 0.000 9.822 5.773) 11.393 22.230 ( 0.000 3.562 -8.397) 9.121 22.553 ( 0.000 -3.556 8.173) 8.913 22.898 ( 0.000 -7.772 -3.024) 8.340 ======================= Grid point 116 (47/81) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 1.014 4.868 2.692) 5.654 2.340 ( -0.373 6.100 -2.945) 6.784 2.566 ( 2.972 -3.568 3.803) 6.002 2.776 ( 2.021 8.329 0.626) 8.593 2.828 ( -2.028 -3.233 -4.359) 5.793 2.914 ( 1.146 5.504 -1.823) 5.910 3.068 ( -1.206 2.110 -1.054) 2.649 3.129 ( -1.714 5.450 -1.426) 5.888 3.249 ( -2.472 7.372 -0.096) 7.776 3.398 ( -0.980 2.943 2.761) 4.153 3.508 ( 0.968 5.022 -1.653) 5.375 3.623 ( 0.009 1.323 0.313) 1.360 3.643 ( -2.358 2.430 7.857) 8.555 3.749 ( -2.164 6.544 0.291) 6.898 3.835 ( 4.405 3.327 -1.908) 5.841 3.955 ( -4.673 -4.481 0.023) 6.474 4.094 ( -4.268 -2.699 1.089) 5.166 4.220 ( -1.710 -5.008 2.246) 5.749 4.248 ( 8.048 -5.994 -3.710) 10.699 4.387 ( 4.168 5.303 -3.612) 7.652 4.715 ( 0.252 -5.864 3.073) 6.626 4.790 ( -1.671 5.240 -1.447) 5.687 5.175 ( -1.374 1.576 -6.983) 7.290 5.282 ( -5.148 6.098 -6.887) 10.541 5.396 ( 5.942 1.984 7.507) 9.778 5.561 ( 5.364 4.859 1.339) 7.361 5.763 ( -1.680 6.214 5.729) 8.618 5.874 ( -2.767 10.954 -1.982) 11.470 6.055 ( 3.803 12.067 4.290) 13.359 6.128 ( 5.303 13.966 -1.775) 15.044 6.334 ( 1.884 9.087 1.990) 9.491 6.526 ( 1.362 11.578 -2.906) 12.015 6.760 ( -2.244 12.482 2.591) 12.945 6.868 ( 2.148 9.431 1.993) 9.876 7.052 ( -5.610 18.328 -3.362) 19.460 7.132 ( -3.178 15.551 -1.915) 15.988 9.132 ( 10.024 1.089 3.943) 10.827 9.423 ( 13.193 -8.171 -3.106) 15.826 10.047 ( -12.100 25.090 2.895) 28.005 10.302 ( -3.755 12.255 -3.515) 13.290 11.238 ( 2.756 -1.384 1.580) 3.465 11.508 ( -2.317 -2.893 -5.943) 7.004 11.910 ( 1.616 13.243 -1.976) 13.486 12.004 ( 4.127 -7.306 -1.082) 8.460 12.193 ( -6.205 4.525 3.309) 8.362 12.328 ( -5.413 7.816 -0.278) 9.512 12.510 ( 3.607 -4.331 8.077) 9.849 12.790 ( 6.224 11.830 -3.581) 13.839 12.908 ( 9.242 8.071 3.587) 12.784 13.446 ( -4.556 -0.761 -3.427) 5.751 13.575 ( -2.859 4.920 3.086) 6.473 13.752 ( -6.440 -2.967 2.236) 7.435 14.109 ( 7.043 4.541 -5.403) 9.971 14.305 ( -1.963 6.751 -2.821) 7.576 14.554 ( -2.847 4.194 1.821) 5.386 14.615 ( -2.857 7.086 -0.371) 7.649 15.890 ( -3.676 2.256 -1.068) 4.443 15.925 ( -0.974 6.451 0.147) 6.526 16.007 ( -6.450 4.534 0.086) 7.884 16.109 ( -3.970 7.095 2.635) 8.547 16.281 ( 0.417 -1.214 -0.726) 1.475 16.312 ( 0.184 -2.114 -1.766) 2.760 16.475 ( 6.186 0.341 5.508) 8.290 16.570 ( 6.230 -1.959 2.720) 7.074 16.737 ( 0.384 -3.652 -1.606) 4.008 16.889 ( 12.955 1.370 -5.729) 14.231 17.490 ( -7.031 0.575 4.469) 8.351 17.789 ( 5.896 -0.180 -2.111) 6.265 18.037 ( -16.536 -0.144 2.118) 16.672 18.376 ( -7.872 -5.242 -5.479) 10.931 18.536 ( -11.820 -7.412 1.463) 14.028 18.615 ( -9.012 -7.955 -0.245) 12.023 19.561 ( 12.512 -4.888 -0.304) 13.436 19.666 ( 12.589 -10.030 -2.572) 16.300 19.959 ( 9.122 -0.174 7.041) 11.524 20.360 ( 10.671 -4.197 -1.356) 11.547 20.608 ( -13.341 -10.581 -1.293) 17.077 20.805 ( -5.692 -6.538 -4.653) 9.839 20.972 ( -0.905 -2.285 4.360) 5.005 21.135 ( -2.222 -2.813 -1.069) 3.740 21.893 ( 8.211 8.026 3.679) 12.057 22.246 ( 0.607 4.697 -7.173) 8.596 22.569 ( 2.039 -5.299 6.706) 8.786 22.865 ( -3.109 -7.777 -2.636) 8.780 ======================= Grid point 117 (48/81) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 3.882 6.669 1.682) 7.898 2.290 ( -3.993 7.647 -0.206) 8.629 2.656 ( 5.019 -4.814 -1.653) 7.148 2.754 ( -4.102 -3.878 -4.008) 6.923 2.835 ( 2.741 7.488 -3.704) 8.792 2.897 ( -2.675 5.837 -4.831) 8.035 3.083 ( 1.222 0.552 3.518) 3.765 3.099 ( -0.665 2.770 1.843) 3.393 3.253 ( 3.992 10.557 3.319) 11.764 3.397 ( -6.714 8.443 4.827) 11.817 3.434 ( 2.319 5.177 3.567) 6.701 3.543 ( -6.069 1.627 1.401) 6.437 3.658 ( 2.545 4.140 0.013) 4.860 3.714 ( -2.426 5.769 -1.004) 6.338 3.915 ( 0.996 -2.637 2.181) 3.564 3.940 ( 1.858 -2.342 0.297) 3.004 4.035 ( 1.538 -0.471 1.050) 1.921 4.137 ( -5.305 -1.799 -0.640) 5.639 4.411 ( 6.757 -5.518 -6.018) 10.598 4.474 ( 1.836 -0.015 -5.615) 5.908 4.707 ( -0.340 -3.071 1.954) 3.655 4.740 ( -2.804 1.589 1.332) 3.488 5.161 ( 0.202 2.150 -8.089) 8.372 5.192 ( -2.857 3.027 -8.088) 9.096 5.544 ( 7.196 4.631 8.488) 12.053 5.654 ( 0.571 7.332 6.822) 10.031 5.707 ( -0.524 3.869 5.134) 6.450 5.791 ( -4.854 7.317 2.814) 9.220 6.164 ( 5.518 13.589 1.069) 14.706 6.218 ( 1.494 16.348 0.475) 16.423 6.396 ( 4.071 8.101 -3.203) 9.615 6.491 ( -4.358 8.801 -2.744) 10.197 6.779 ( 4.240 15.486 0.761) 16.074 6.906 ( -6.638 16.773 -1.696) 18.118 6.935 ( 3.625 11.840 0.497) 12.392 7.040 ( -5.316 13.912 -1.408) 14.959 9.409 ( 15.764 11.431 4.367) 19.956 9.726 ( -4.458 11.420 0.122) 12.260 9.793 ( 6.930 5.825 -0.013) 9.053 10.119 ( -13.602 4.608 -4.699) 15.111 11.319 ( 4.927 -3.027 0.073) 5.783 11.428 ( -5.075 -3.923 -2.900) 7.040 11.972 ( 4.188 17.678 0.393) 18.171 12.072 ( -4.662 17.557 1.886) 18.263 12.101 ( 4.074 -11.107 -1.781) 11.964 12.204 ( -5.591 -4.730 -2.237) 7.657 12.648 ( 8.562 -0.640 2.437) 8.925 12.807 ( -4.750 4.598 -5.478) 8.586 13.114 ( 8.877 8.544 7.796) 14.580 13.279 ( -8.169 9.886 11.037) 16.920 13.606 ( 3.300 1.394 -2.773) 4.530 13.663 ( -2.629 0.241 0.519) 2.690 14.214 ( 3.018 5.884 -5.350) 8.506 14.258 ( -2.113 6.073 -4.039) 7.594 14.504 ( -1.023 2.641 -0.275) 2.845 14.537 ( -3.726 4.039 -1.782) 5.777 15.837 ( -0.051 1.979 -1.240) 2.336 15.882 ( -3.333 2.489 -2.494) 4.850 15.952 ( 1.060 8.879 4.186) 9.874 16.014 ( -4.443 8.670 3.157) 10.241 16.278 ( 0.134 1.566 -0.476) 1.642 16.298 ( -1.448 1.990 -1.010) 2.660 16.596 ( 5.699 -5.233 1.988) 7.989 16.689 ( -2.253 -5.306 -1.335) 5.917 16.832 ( 15.020 -2.688 4.146) 15.812 17.131 ( -2.907 3.223 -2.733) 5.129 17.316 ( 3.336 -3.101 3.368) 5.665 17.634 ( -18.472 2.710 -2.647) 18.856 17.996 ( 11.200 -7.803 1.715) 13.757 18.260 ( -12.852 -7.913 1.090) 15.132 18.299 ( 0.567 -6.719 -4.378) 8.039 18.415 ( -8.815 -7.540 -1.819) 11.741 19.846 ( 13.338 -3.695 0.498) 13.849 19.944 ( 11.839 -7.265 -2.471) 14.108 20.066 ( 0.036 -3.261 4.433) 5.503 20.287 ( -15.547 -6.089 -1.941) 16.809 20.592 ( 9.675 -2.138 1.631) 10.041 20.735 ( -2.776 0.352 -2.394) 3.682 20.938 ( 0.522 -6.181 2.718) 6.772 21.039 ( -6.444 -4.635 -0.157) 7.939 22.077 ( 8.407 6.256 0.887) 10.517 22.213 ( -4.247 5.889 -2.636) 7.724 22.651 ( 5.596 -7.421 1.978) 9.502 22.773 ( -5.562 -7.775 -1.268) 9.643 ======================= Grid point 120 (49/81) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.000 2.916 1.436) 3.250 2.319 ( 0.000 -2.604 -1.092) 2.823 2.590 ( 0.000 4.514 1.779) 4.852 2.774 ( 0.000 -4.497 -3.255) 5.551 2.891 ( 0.000 5.700 1.319) 5.851 3.012 ( 0.000 2.361 -2.296) 3.294 3.106 ( 0.000 4.150 2.323) 4.756 3.261 ( 0.000 2.665 -1.675) 3.148 3.400 ( 0.000 2.051 0.962) 2.265 3.456 ( 0.000 5.005 0.420) 5.023 3.501 ( 0.000 1.696 -3.088) 3.523 3.619 ( 0.000 -0.241 -5.658) 5.663 3.765 ( 0.000 5.012 5.398) 7.366 3.819 ( 0.000 -1.538 3.535) 3.855 3.873 ( 0.000 1.413 3.499) 3.773 3.971 ( 0.000 1.319 2.232) 2.593 4.016 ( 0.000 -5.505 -0.189) 5.509 4.068 ( 0.000 -5.235 -2.220) 5.687 4.158 ( 0.000 -1.234 2.177) 2.502 4.356 ( 0.000 -6.088 0.112) 6.089 4.673 ( 0.000 5.855 -2.176) 6.246 4.903 ( 0.000 2.635 -6.597) 7.103 5.194 ( 0.000 -2.544 -2.629) 3.659 5.275 ( 0.000 -8.637 0.154) 8.638 5.488 ( 0.000 4.942 -2.077) 5.361 5.495 ( 0.000 3.817 4.635) 6.004 5.928 ( 0.000 6.518 2.827) 7.105 6.049 ( 0.000 0.893 3.797) 3.901 6.204 ( 0.000 7.707 -3.192) 8.342 6.215 ( 0.000 6.144 -3.643) 7.143 6.523 ( 0.000 11.070 2.396) 11.326 6.685 ( 0.000 4.746 -2.435) 5.334 6.981 ( 0.000 7.932 4.143) 8.948 7.022 ( 0.000 6.855 6.752) 9.622 7.399 ( 0.000 10.271 -4.067) 11.047 7.418 ( 0.000 9.149 -2.825) 9.575 8.978 ( 0.000 -0.659 1.126) 1.305 9.109 ( 0.000 -7.460 -2.126) 7.757 10.585 ( 0.000 13.523 -0.240) 13.526 10.668 ( 0.000 17.708 -2.871) 17.940 11.270 ( 0.000 7.323 0.840) 7.371 11.450 ( 0.000 -2.913 -4.908) 5.707 11.757 ( 0.000 -13.018 3.121) 13.387 11.855 ( 0.000 -13.810 -3.418) 14.227 12.302 ( 0.000 4.738 8.495) 9.727 12.365 ( 0.000 1.560 8.023) 8.174 12.852 ( 0.000 14.104 -4.024) 14.667 12.898 ( 0.000 13.242 0.009) 13.242 12.986 ( 0.000 11.600 2.169) 11.801 13.322 ( 0.000 -9.056 -8.474) 12.403 13.566 ( 0.000 -4.940 4.172) 6.466 13.834 ( 0.000 -10.047 -1.225) 10.122 14.198 ( 0.000 17.122 5.064) 17.855 14.494 ( 0.000 8.192 -3.235) 8.808 14.650 ( 0.000 1.356 3.814) 4.048 14.752 ( 0.000 2.511 -0.017) 2.511 15.942 ( 0.000 0.209 -3.724) 3.730 16.004 ( 0.000 1.394 3.120) 3.417 16.139 ( 0.000 -5.235 -3.855) 6.502 16.142 ( 0.000 -2.219 3.015) 3.744 16.214 ( 0.000 0.276 -4.333) 4.341 16.255 ( 0.000 0.156 -7.630) 7.632 16.520 ( 0.000 4.487 4.302) 6.216 16.544 ( 0.000 1.519 2.484) 2.911 16.710 ( 0.000 1.585 -1.224) 2.002 16.724 ( 0.000 -0.775 -1.459) 1.652 17.585 ( 0.000 1.816 3.907) 4.308 17.685 ( 0.000 -2.710 2.085) 3.419 18.335 ( 0.000 3.906 -0.921) 4.013 18.441 ( 0.000 -2.705 -3.957) 4.793 18.556 ( 0.000 -4.737 0.363) 4.751 18.579 ( 0.000 -5.581 -0.508) 5.604 19.308 ( 0.000 -3.897 -3.406) 5.176 19.336 ( 0.000 -6.178 -3.287) 6.998 19.845 ( 0.000 1.774 8.779) 8.956 20.059 ( 0.000 -8.898 4.521) 9.981 20.611 ( 0.000 -4.651 -4.231) 6.288 20.693 ( 0.000 -8.290 -4.020) 9.214 21.007 ( 0.000 2.327 2.520) 3.430 21.102 ( 0.000 -2.483 -0.576) 2.549 21.978 ( 0.000 8.796 3.819) 9.590 22.239 ( 0.000 -3.049 -3.136) 4.374 22.538 ( 0.000 2.468 3.157) 4.007 22.754 ( 0.000 -7.044 -2.401) 7.442 ======================= Grid point 121 (50/81) ======================= q-point: ( 0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 2.718 4.192 1.467) 5.207 2.381 ( 4.780 -2.055 -2.596) 5.815 2.561 ( -2.400 3.422 2.155) 4.703 2.746 ( -2.770 -4.766 -3.318) 6.434 2.913 ( 1.925 5.551 0.392) 5.888 3.007 ( -0.277 2.623 -2.252) 3.468 3.090 ( -1.222 2.438 2.269) 3.548 3.211 ( -4.212 1.142 -0.915) 4.459 3.395 ( 0.717 6.840 -0.330) 6.885 3.460 ( 0.875 3.413 1.865) 3.986 3.572 ( 4.856 2.524 -3.106) 6.293 3.635 ( 0.315 0.124 -3.488) 3.505 3.730 ( -3.248 5.900 6.295) 9.219 3.816 ( 0.833 -2.778 3.309) 4.400 3.879 ( 0.326 -0.218 2.036) 2.073 3.931 ( -3.226 6.138 0.312) 6.941 4.020 ( -1.717 -4.643 0.612) 4.987 4.089 ( 2.822 -5.792 1.098) 6.535 4.150 ( 0.525 -3.714 1.194) 3.936 4.370 ( 0.436 -8.184 -1.306) 8.299 4.694 ( 2.039 6.639 -2.225) 7.292 4.893 ( -1.173 4.050 -5.557) 6.976 5.160 ( -2.289 -3.196 -4.694) 6.123 5.215 ( -4.380 -8.239 -4.764) 10.477 5.520 ( 5.223 6.606 4.964) 9.776 5.608 ( 6.450 1.248 3.501) 7.444 5.886 ( -3.752 5.629 4.243) 7.986 5.978 ( -5.070 1.428 3.749) 6.466 6.261 ( 5.230 8.258 -1.257) 9.855 6.319 ( 7.475 5.457 -4.458) 10.273 6.534 ( 0.639 10.612 1.121) 10.690 6.683 ( -0.882 4.355 -2.542) 5.119 6.978 ( 0.498 9.082 3.952) 9.917 7.040 ( 2.044 6.433 4.761) 8.260 7.336 ( -5.622 10.517 -3.100) 12.322 7.374 ( -4.125 8.580 -2.824) 9.930 9.160 ( 16.566 1.653 0.944) 16.675 9.285 ( 16.144 -5.759 -2.182) 17.279 10.459 ( -11.999 15.509 -0.094) 19.609 10.552 ( -11.158 12.423 -2.777) 16.928 11.286 ( 1.394 6.811 0.895) 7.010 11.432 ( -1.829 -1.954 -3.771) 4.624 11.774 ( 1.498 -14.081 2.837) 14.442 11.862 ( 0.252 -15.615 -2.068) 15.753 12.296 ( 1.130 9.573 6.171) 11.446 12.456 ( 7.361 0.261 5.871) 9.419 12.672 ( -9.231 16.887 -0.623) 19.256 12.986 ( -1.605 6.204 -4.298) 7.716 13.069 ( 8.589 8.608 2.935) 12.509 13.366 ( 4.860 -5.551 -6.136) 9.596 13.597 ( 2.865 -1.679 4.500) 5.593 13.742 ( -8.017 -1.613 4.133) 9.163 14.243 ( 3.928 10.115 0.116) 10.852 14.463 ( -2.587 7.033 -4.044) 8.515 14.616 ( -2.940 2.339 3.028) 4.825 14.716 ( -3.797 2.561 -0.519) 4.609 15.905 ( -3.141 1.082 -2.966) 4.453 16.006 ( -0.866 2.023 1.064) 2.444 16.029 ( -5.157 -0.945 -3.029) 6.055 16.112 ( -2.426 -5.152 0.113) 5.696 16.273 ( 4.136 0.371 -2.780) 4.997 16.310 ( 3.468 1.196 -3.410) 5.009 16.508 ( -1.707 1.333 4.030) 4.575 16.551 ( 2.387 -0.058 2.775) 3.661 16.723 ( 2.117 2.945 -0.811) 3.716 16.894 ( 12.923 -1.764 -3.472) 13.497 17.506 ( -8.898 1.780 6.071) 10.918 17.705 ( 0.722 -6.750 5.134) 8.511 18.085 ( -16.732 3.951 -5.804) 18.146 18.271 ( -10.627 -5.356 -7.322) 13.972 18.432 ( -10.744 -2.995 2.039) 11.338 18.488 ( -8.556 -4.974 0.806) 9.930 19.478 ( 13.591 -3.242 -1.817) 14.090 19.511 ( 13.714 -5.624 -2.329) 15.005 19.976 ( 8.880 2.181 7.792) 12.014 20.211 ( 9.987 -9.405 5.354) 14.726 20.506 ( -6.872 -0.923 -5.949) 9.136 20.648 ( -2.192 -7.681 -5.681) 9.802 20.983 ( -2.942 1.805 3.845) 5.167 21.079 ( -3.046 -2.909 0.847) 4.296 22.051 ( 6.408 7.947 2.699) 10.559 22.289 ( 4.129 -1.597 -4.042) 5.995 22.514 ( -2.062 0.878 3.771) 4.387 22.720 ( -3.207 -7.132 -2.131) 8.106 ======================= Grid point 122 (51/81) ======================= q-point: ( 0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 5.248 5.892 0.741) 7.925 2.424 ( -3.059 5.948 -1.712) 6.904 2.557 ( 4.096 -4.972 -0.096) 6.442 2.663 ( -4.991 -5.216 -2.881) 7.773 2.956 ( 2.072 4.971 -1.328) 5.547 2.996 ( -1.346 4.282 -2.245) 5.018 3.077 ( 0.782 -0.875 1.119) 1.622 3.125 ( -3.501 -0.514 0.073) 3.540 3.446 ( 4.298 8.459 1.238) 9.569 3.503 ( 2.189 4.982 2.260) 5.893 3.583 ( -4.717 4.304 1.461) 6.550 3.584 ( -2.899 5.483 2.514) 6.693 3.742 ( 4.506 3.775 -0.152) 5.880 3.835 ( -4.038 3.436 -1.081) 5.411 3.855 ( 1.440 -2.323 2.104) 3.449 3.883 ( -0.847 -1.110 2.503) 2.866 4.022 ( 2.024 -0.324 2.258) 3.050 4.077 ( -2.519 -3.002 3.108) 5.002 4.236 ( 5.748 -9.731 -2.254) 11.524 4.340 ( -3.603 -11.209 -2.305) 11.997 4.758 ( 3.995 7.683 -2.602) 9.043 4.843 ( -3.669 6.783 -3.471) 8.457 5.128 ( -0.351 -5.749 -7.621) 9.552 5.147 ( -2.027 -6.446 -7.374) 10.002 5.651 ( 6.735 5.490 6.649) 10.941 5.740 ( 6.195 1.147 5.524) 8.379 5.784 ( -5.800 4.926 5.969) 9.672 5.865 ( -5.757 1.261 5.248) 7.891 6.390 ( 6.497 9.119 -0.852) 11.229 6.467 ( 4.003 7.795 -2.302) 9.060 6.525 ( 0.004 6.258 -1.540) 6.445 6.622 ( -4.906 4.070 -2.379) 6.804 7.038 ( 5.607 10.550 1.639) 12.060 7.123 ( 5.797 6.750 0.837) 8.937 7.189 ( -7.907 10.859 -1.113) 13.479 7.259 ( -6.595 7.550 -1.751) 10.176 9.602 ( 24.252 7.562 0.508) 25.409 9.719 ( 23.719 -1.276 -2.591) 23.894 10.104 ( -21.302 13.502 0.627) 25.228 10.213 ( -20.934 4.445 -2.339) 21.528 11.324 ( 2.286 4.691 0.221) 5.223 11.379 ( -2.912 1.068 -1.521) 3.455 11.813 ( 2.058 -16.080 1.785) 16.310 11.851 ( -1.391 -17.305 0.150) 17.362 12.365 ( 5.256 15.253 3.016) 16.413 12.499 ( -7.477 17.521 1.139) 19.084 12.649 ( 10.659 -0.351 0.306) 10.669 12.864 ( -9.151 -0.167 -4.855) 10.361 13.268 ( 10.313 8.119 6.323) 14.569 13.454 ( -3.134 5.793 2.993) 7.235 13.585 ( -0.208 -2.172 3.324) 3.976 13.647 ( -0.692 -1.529 2.058) 2.656 14.341 ( 5.219 7.153 -2.519) 9.206 14.424 ( -1.300 8.306 -4.817) 9.689 14.546 ( -2.389 1.381 0.653) 2.835 14.601 ( -6.117 2.031 -1.541) 6.627 15.864 ( 0.245 2.149 -3.092) 3.774 15.915 ( -4.121 1.870 -4.691) 6.518 16.026 ( 1.006 -0.880 2.316) 2.674 16.060 ( -2.273 -3.832 1.013) 4.569 16.331 ( 1.925 3.750 -1.254) 4.398 16.363 ( -0.308 4.794 -1.792) 5.127 16.514 ( 3.535 -3.886 1.219) 5.392 16.583 ( -1.327 -5.606 -0.701) 5.803 16.857 ( 12.343 5.920 4.742) 14.487 17.163 ( -0.966 -0.003 0.253) 0.999 17.234 ( -1.689 -4.084 2.959) 5.319 17.540 ( -16.199 -10.948 1.519) 19.611 17.967 ( 6.178 3.849 -3.182) 7.944 18.158 ( -4.749 -3.228 -2.233) 6.161 18.194 ( -6.071 -3.438 -1.632) 7.165 18.293 ( -8.697 -5.198 -0.886) 10.171 19.778 ( 13.996 -2.686 -0.601) 14.264 19.820 ( 15.164 -4.883 -1.927) 16.047 20.019 ( -6.057 -1.204 3.114) 6.916 20.140 ( -13.427 -7.226 -0.287) 15.251 20.603 ( 12.322 1.976 0.670) 12.497 20.718 ( 7.643 -2.722 -3.008) 8.653 20.868 ( -7.049 -0.544 4.136) 8.191 20.957 ( -8.525 -3.789 0.962) 9.378 22.207 ( 7.734 6.964 0.883) 10.444 22.331 ( -2.734 5.908 -2.674) 7.038 22.511 ( 3.811 -6.772 2.192) 8.073 22.625 ( -5.713 -7.431 -1.160) 9.445 ======================= Grid point 125 (52/81) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 -2.699 0.618) 2.769 2.265 ( 0.000 2.699 0.618) 2.769 2.682 ( 0.000 -4.811 -1.843) 5.152 2.682 ( 0.000 4.811 -1.843) 5.152 2.981 ( 0.000 -3.565 -0.330) 3.580 2.981 ( 0.000 3.565 -0.330) 3.580 3.228 ( 0.000 -5.484 2.642) 6.087 3.228 ( 0.000 5.484 2.642) 6.087 3.451 ( 0.000 -2.859 0.730) 2.951 3.451 ( 0.000 2.859 0.730) 2.951 3.580 ( 0.000 -3.700 -4.624) 5.922 3.580 ( 0.000 3.700 -4.624) 5.922 3.837 ( 0.000 -3.804 0.572) 3.847 3.837 ( 0.000 3.804 0.572) 3.847 3.882 ( 0.000 -6.900 1.986) 7.180 3.882 ( 0.000 6.900 1.986) 7.180 4.016 ( 0.000 -1.411 1.488) 2.051 4.016 ( 0.000 1.411 1.488) 2.051 4.207 ( 0.000 -6.688 3.862) 7.723 4.207 ( 0.000 6.688 3.862) 7.723 4.848 ( 0.000 -8.682 -9.293) 12.717 4.848 ( 0.000 8.682 -9.293) 12.717 5.161 ( 0.000 -0.813 1.054) 1.331 5.161 ( 0.000 0.813 1.054) 1.331 5.539 ( 0.000 -0.042 2.309) 2.310 5.539 ( 0.000 0.042 2.309) 2.310 6.023 ( 0.000 -3.192 2.993) 4.376 6.023 ( 0.000 3.192 2.993) 4.376 6.279 ( 0.000 -0.029 -3.544) 3.544 6.279 ( 0.000 0.029 -3.544) 3.544 6.684 ( 0.000 -4.629 -0.835) 4.704 6.684 ( 0.000 4.629 -0.835) 4.704 7.077 ( 0.000 -1.294 6.203) 6.337 7.077 ( 0.000 1.294 6.203) 6.337 7.504 ( 0.000 -0.452 -3.500) 3.529 7.504 ( 0.000 0.452 -3.500) 3.529 9.003 ( 0.000 -3.333 -0.771) 3.421 9.003 ( 0.000 3.333 -0.771) 3.421 10.787 ( 0.000 -5.127 -3.830) 6.399 10.787 ( 0.000 5.127 -3.830) 6.399 11.482 ( 0.000 -13.092 2.230) 13.280 11.482 ( 0.000 13.092 2.230) 13.280 11.556 ( 0.000 -12.973 -0.546) 12.985 11.556 ( 0.000 12.973 -0.546) 12.985 12.371 ( 0.000 -1.539 7.797) 7.948 12.371 ( 0.000 1.539 7.797) 7.948 13.055 ( 0.000 -2.093 -4.807) 5.243 13.055 ( 0.000 2.093 -4.807) 5.243 13.145 ( 0.000 -6.051 -2.570) 6.574 13.145 ( 0.000 6.051 -2.570) 6.574 13.603 ( 0.000 -10.367 5.310) 11.648 13.603 ( 0.000 10.367 5.310) 11.648 14.478 ( 0.000 -9.864 2.548) 10.188 14.478 ( 0.000 9.864 2.548) 10.188 14.725 ( 0.000 -4.960 -0.360) 4.974 14.725 ( 0.000 4.960 -0.360) 4.974 15.975 ( 0.000 -3.066 -3.743) 4.838 15.975 ( 0.000 3.066 -3.743) 4.838 16.102 ( 0.000 -1.306 2.260) 2.610 16.102 ( 0.000 1.306 2.260) 2.610 16.238 ( 0.000 -1.623 -8.170) 8.330 16.238 ( 0.000 1.623 -8.170) 8.330 16.558 ( 0.000 -0.109 2.282) 2.285 16.558 ( 0.000 0.109 2.282) 2.285 16.727 ( 0.000 -0.164 -0.002) 0.164 16.727 ( 0.000 0.164 -0.002) 0.164 17.630 ( 0.000 -2.730 4.559) 5.314 17.630 ( 0.000 2.730 4.559) 5.314 18.393 ( 0.000 -2.206 -3.771) 4.369 18.393 ( 0.000 2.206 -3.771) 4.369 18.516 ( 0.000 -0.519 -0.098) 0.528 18.516 ( 0.000 0.519 -0.098) 0.528 19.272 ( 0.000 -0.489 -3.622) 3.655 19.272 ( 0.000 0.489 -3.622) 3.655 19.914 ( 0.000 -5.551 7.982) 9.722 19.914 ( 0.000 5.551 7.982) 9.722 20.589 ( 0.000 -2.240 -4.969) 5.450 20.589 ( 0.000 2.240 -4.969) 5.450 21.053 ( 0.000 -2.462 1.500) 2.883 21.053 ( 0.000 2.462 1.500) 2.883 22.134 ( 0.000 -7.102 1.610) 7.282 22.134 ( 0.000 7.102 1.611) 7.282 22.627 ( 0.000 -5.913 -1.017) 6.000 22.627 ( 0.000 5.913 -1.017) 6.000 ======================= Grid point 127 (53/81) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 4.481 -3.958 0.215) 5.983 2.315 ( 4.481 3.958 0.215) 5.983 2.650 ( -3.074 -4.985 -1.695) 6.097 2.650 ( -3.074 4.985 -1.695) 6.097 2.994 ( 1.154 -2.820 -0.241) 3.056 2.994 ( 1.154 2.820 -0.241) 3.056 3.173 ( -4.289 -4.302 0.870) 6.137 3.173 ( -4.289 4.302 0.870) 6.137 3.488 ( 2.907 -2.061 1.621) 3.915 3.488 ( 2.907 2.061 1.621) 3.915 3.613 ( 2.728 -2.109 -4.121) 5.373 3.613 ( 2.728 2.109 -4.121) 5.373 3.805 ( -2.292 -2.665 2.202) 4.148 3.805 ( -2.292 2.665 2.202) 4.148 3.890 ( 0.165 -6.389 2.094) 6.726 3.890 ( 0.165 6.389 2.094) 6.726 4.032 ( 1.464 -2.610 0.944) 3.138 4.032 ( 1.464 2.610 0.944) 3.138 4.186 ( -1.998 -8.300 3.081) 9.076 4.186 ( -1.998 8.301 3.081) 9.077 4.870 ( 2.052 -8.116 -8.730) 12.095 4.870 ( 2.052 8.116 -8.730) 12.095 5.107 ( -4.251 -1.276 -1.564) 4.705 5.107 ( -4.251 1.276 -1.564) 4.705 5.605 ( 5.386 -2.033 4.307) 7.190 5.605 ( 5.386 2.033 4.307) 7.190 5.966 ( -4.568 -2.455 3.962) 6.526 5.966 ( -4.568 2.455 3.962) 6.526 6.357 ( 6.380 -1.518 -3.189) 7.292 6.357 ( 6.380 1.518 -3.189) 7.292 6.686 ( -0.499 -4.128 -1.349) 4.371 6.686 ( -0.499 4.128 -1.349) 4.371 7.087 ( 1.580 -1.739 4.946) 5.475 7.087 ( 1.580 1.739 4.946) 5.475 7.450 ( -4.991 -0.999 -3.005) 5.911 7.450 ( -4.991 0.999 -3.005) 5.911 9.201 ( 18.217 -2.943 -0.921) 18.477 9.201 ( 18.217 2.943 -0.921) 18.477 10.651 ( -13.255 -3.736 -3.327) 14.168 10.651 ( -13.255 3.736 -3.327) 14.168 11.492 ( 0.814 -13.117 2.193) 13.324 11.492 ( 0.814 13.117 2.193) 13.324 11.547 ( -0.803 -13.436 0.223) 13.462 11.547 ( -0.803 13.436 0.223) 13.462 12.430 ( 5.538 -3.734 5.629) 8.735 12.430 ( 5.538 3.734 5.629) 8.735 12.943 ( -7.755 -9.701 -4.418) 13.181 12.943 ( -7.755 9.701 -4.418) 13.182 13.243 ( 7.106 -8.036 0.098) 10.728 13.243 ( 7.106 8.036 0.098) 10.728 13.639 ( 1.918 -6.250 4.495) 7.934 13.639 ( 1.918 6.250 4.495) 7.934 14.446 ( -1.938 -8.108 1.012) 8.397 14.446 ( -1.938 8.108 1.012) 8.397 14.697 ( -2.959 -4.286 -0.644) 5.248 14.697 ( -2.959 4.286 -0.644) 5.248 15.960 ( -1.459 -4.464 -3.699) 5.978 15.960 ( -1.459 4.464 -3.699) 5.978 16.041 ( -3.679 -1.689 -0.745) 4.116 16.041 ( -3.679 1.689 -0.745) 4.116 16.299 ( 4.588 -1.787 -3.962) 6.320 16.299 ( 4.588 1.787 -3.962) 6.320 16.534 ( -1.795 -1.409 2.346) 3.273 16.534 ( -1.795 1.409 2.346) 3.273 16.820 ( 7.819 -5.380 -0.874) 9.532 16.820 ( 7.819 5.380 -0.874) 9.532 17.577 ( -6.648 -5.555 7.205) 11.268 17.577 ( -6.648 5.555 7.205) 11.268 18.172 ( -12.850 -4.866 -8.448) 16.129 18.172 ( -12.850 4.866 -8.448) 16.129 18.422 ( -9.245 -1.745 2.071) 9.633 18.422 ( -9.245 1.745 2.071) 9.633 19.450 ( 13.967 -0.683 -2.223) 14.159 19.450 ( 13.967 0.683 -2.223) 14.159 20.054 ( 8.658 -6.101 7.205) 12.810 20.054 ( 8.658 6.101 7.205) 12.810 20.535 ( -2.264 -3.703 -6.160) 7.536 20.535 ( -2.264 3.703 -6.160) 7.536 21.026 ( -3.290 -2.520 2.644) 4.916 21.026 ( -3.290 2.520 2.644) 4.916 22.196 ( 5.604 -6.770 0.973) 8.842 22.196 ( 5.604 6.770 0.973) 8.842 22.591 ( -3.370 -5.924 -0.841) 6.867 22.591 ( -3.370 5.924 -0.841) 6.867 ======================= Grid point 129 (54/81) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 6.308 -5.078 -0.577) 8.119 2.432 ( 6.308 5.078 -0.577) 8.119 2.559 ( -5.548 -5.228 -1.247) 7.724 2.559 ( -5.548 5.228 -1.247) 7.724 3.028 ( 2.115 -2.154 -0.410) 3.046 3.028 ( 2.115 2.154 -0.410) 3.046 3.086 ( -3.619 -2.788 -0.465) 4.592 3.086 ( -3.619 2.788 -0.465) 4.592 3.558 ( 3.718 -2.102 1.497) 4.526 3.558 ( 3.718 2.102 1.497) 4.526 3.630 ( -2.322 -1.808 -1.096) 3.140 3.630 ( -2.322 1.808 -1.096) 3.140 3.802 ( 2.811 -2.107 2.327) 4.214 3.802 ( 2.811 2.107 2.327) 4.214 3.868 ( -2.475 -3.850 1.940) 4.972 3.868 ( -2.475 3.850 1.940) 4.972 4.074 ( 2.526 -5.357 0.981) 6.003 4.074 ( 2.526 5.357 0.981) 6.003 4.132 ( -2.930 -8.224 1.756) 8.905 4.132 ( -2.930 8.224 1.756) 8.905 4.930 ( 3.622 -6.612 -7.231) 10.446 4.930 ( 3.622 6.612 -7.231) 10.446 5.014 ( -4.389 -4.180 -4.937) 7.817 5.014 ( -4.389 4.180 -4.937) 7.817 5.730 ( 6.275 -2.289 5.969) 8.958 5.730 ( 6.275 2.289 5.969) 8.958 5.856 ( -5.823 -2.147 5.582) 8.347 5.856 ( -5.823 2.147 5.582) 8.347 6.504 ( 7.232 -2.432 -2.301) 7.969 6.504 ( 7.232 2.432 -2.301) 7.969 6.634 ( -4.715 -3.014 -1.660) 5.837 6.634 ( -4.715 3.014 -1.660) 5.837 7.167 ( 6.120 -2.312 1.465) 6.704 7.167 ( 6.120 2.312 1.465) 6.704 7.315 ( -7.453 -1.888 -1.476) 7.829 7.315 ( -7.453 1.888 -1.476) 7.829 9.693 ( 27.288 -2.218 -1.366) 27.412 9.693 ( 27.288 2.218 -1.366) 27.412 10.250 ( -24.570 -1.956 -2.221) 24.747 10.250 ( -24.570 1.956 -2.221) 24.747 11.510 ( 0.878 -13.470 1.885) 13.630 11.510 ( 0.878 13.470 1.885) 13.630 11.528 ( -0.894 -13.758 1.278) 13.846 11.528 ( -0.894 13.758 1.278) 13.846 12.584 ( 8.701 -7.049 1.493) 11.297 12.584 ( 8.701 7.049 1.493) 11.297 12.769 ( -8.830 -9.707 -2.014) 13.276 12.769 ( -8.830 9.707 -2.014) 13.276 13.423 ( 9.817 -6.955 2.962) 12.390 13.423 ( 9.817 6.955 2.962) 12.390 13.605 ( -6.082 -2.774 4.326) 7.962 13.605 ( -6.082 2.774 4.326) 7.962 14.464 ( 4.450 -4.157 -1.505) 6.273 14.464 ( 4.450 4.157 -1.505) 6.273 14.595 ( -6.653 -2.849 -1.507) 7.393 14.595 ( -6.653 2.849 -1.507) 7.393 15.940 ( 0.318 -4.889 -3.067) 5.780 15.940 ( 0.318 4.889 -3.067) 5.780 15.976 ( -2.727 -2.843 -2.726) 4.791 15.976 ( -2.727 2.843 -2.726) 4.791 16.404 ( 4.990 -2.917 -0.873) 5.846 16.404 ( 4.990 2.917 -0.873) 5.846 16.487 ( -2.969 -3.569 1.183) 4.791 16.487 ( -2.969 3.569 1.183) 4.791 17.025 ( 12.006 -9.987 0.408) 15.622 17.025 ( 12.006 9.987 0.408) 15.622 17.321 ( -15.753 -9.752 5.073) 19.209 17.321 ( -15.753 9.752 5.073) 19.209 18.066 ( 2.551 -5.487 -5.330) 8.063 18.066 ( 2.551 5.487 -5.330) 8.064 18.208 ( -9.822 -3.365 0.512) 10.395 18.208 ( -9.822 3.365 0.512) 10.395 19.761 ( 15.028 -1.103 -1.282) 15.123 19.761 ( 15.028 1.103 -1.281) 15.123 20.036 ( -10.011 -3.201 1.212) 10.580 20.036 ( -10.011 3.201 1.212) 10.580 20.654 ( 12.127 -3.218 -0.864) 12.577 20.654 ( 12.127 3.218 -0.864) 12.577 20.894 ( -9.501 -2.566 2.620) 10.184 20.894 ( -9.501 2.566 2.620) 10.184 22.341 ( 7.668 -6.238 0.121) 9.886 22.341 ( 7.668 6.238 0.121) 9.886 22.490 ( -6.316 -5.985 -0.425) 8.712 22.490 ( -6.316 5.985 -0.425) 8.712 ======================= Grid point 170 (55/81) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.000 0.000 19.601) 19.601 1.158 ( 0.000 0.000 25.984) 25.984 1.173 ( 0.000 0.000 -15.623) 15.623 1.577 ( 0.000 0.000 -18.272) 18.272 1.931 ( 0.000 0.000 6.463) 6.463 2.046 ( 0.000 0.000 -5.672) 5.672 2.292 ( 0.000 0.000 0.666) 0.666 2.297 ( 0.000 0.000 0.012) 0.012 2.353 ( 0.000 0.000 54.334) 54.334 2.503 ( 0.000 0.000 1.899) 1.899 2.605 ( 0.000 0.000 -8.109) 8.109 2.636 ( 0.000 0.000 1.353) 1.353 2.678 ( 0.000 0.000 -3.171) 3.171 2.842 ( 0.000 0.000 10.523) 10.523 2.850 ( 0.000 0.000 -4.729) 4.729 2.975 ( 0.000 0.000 1.528) 1.528 2.983 ( 0.000 0.000 0.570) 0.570 3.235 ( 0.000 0.000 -9.271) 9.271 3.266 ( 0.000 0.000 5.246) 5.246 3.606 ( 0.000 0.000 -41.856) 41.856 3.756 ( 0.000 0.000 0.729) 0.729 3.761 ( 0.000 0.000 8.620) 8.620 3.775 ( 0.000 0.000 -1.225) 1.225 3.786 ( 0.000 0.000 4.849) 4.849 4.300 ( 0.000 0.000 -6.257) 6.257 4.376 ( 0.000 0.000 -10.462) 10.462 4.577 ( 0.000 0.000 14.283) 14.283 4.859 ( 0.000 0.000 -13.115) 13.115 5.100 ( 0.000 0.000 4.579) 4.579 5.222 ( 0.000 0.000 -7.948) 7.948 5.986 ( 0.000 0.000 1.034) 1.034 6.019 ( 0.000 0.000 -2.570) 2.570 6.448 ( 0.000 0.000 8.326) 8.326 6.522 ( 0.000 0.000 -0.699) 0.699 7.022 ( 0.000 0.000 18.687) 18.687 7.348 ( 0.000 0.000 -14.799) 14.799 8.805 ( 0.000 0.000 17.716) 17.716 8.987 ( 0.000 0.000 10.077) 10.077 9.104 ( 0.000 0.000 -1.818) 1.818 9.151 ( 0.000 0.000 -17.879) 17.879 9.649 ( 0.000 0.000 6.479) 6.479 9.894 ( 0.000 0.000 -19.671) 19.671 10.985 ( 0.000 0.000 8.779) 8.779 11.164 ( 0.000 0.000 -9.681) 9.681 11.476 ( 0.000 0.000 24.263) 24.263 11.849 ( 0.000 0.000 -11.624) 11.624 12.491 ( 0.000 0.000 18.627) 18.627 12.805 ( 0.000 0.000 -13.158) 13.158 13.039 ( 0.000 0.000 13.894) 13.894 13.324 ( 0.000 0.000 -15.642) 15.642 13.464 ( 0.000 0.000 7.307) 7.307 13.480 ( 0.000 0.000 12.053) 12.053 13.575 ( 0.000 0.000 -6.318) 6.318 13.691 ( 0.000 0.000 -9.489) 9.489 13.986 ( 0.000 0.000 2.807) 2.807 14.078 ( 0.000 0.000 2.377) 2.377 14.397 ( 0.000 0.000 11.645) 11.645 14.891 ( 0.000 0.000 -28.103) 28.103 15.698 ( 0.000 0.000 3.490) 3.490 15.806 ( 0.000 0.000 -7.721) 7.721 16.298 ( 0.000 0.000 6.972) 6.972 16.411 ( 0.000 0.000 -4.640) 4.640 16.644 ( 0.000 0.000 7.325) 7.325 16.758 ( 0.000 0.000 -4.659) 4.659 17.017 ( 0.000 0.000 4.276) 4.276 17.027 ( 0.000 0.000 -0.586) 0.586 17.235 ( 0.000 0.000 4.187) 4.187 17.382 ( 0.000 0.000 -0.306) 0.306 17.495 ( 0.000 0.000 -1.510) 1.510 17.583 ( 0.000 0.000 -15.197) 15.197 18.707 ( 0.000 0.000 0.522) 0.522 18.718 ( 0.000 0.000 -0.531) 0.531 18.956 ( 0.000 0.000 16.614) 16.614 19.217 ( 0.000 0.000 -11.842) 11.842 20.379 ( 0.000 0.000 13.177) 13.177 20.619 ( 0.000 0.000 -11.302) 11.302 21.256 ( 0.000 0.000 7.476) 7.476 21.345 ( 0.000 0.000 -2.736) 2.736 22.150 ( 0.000 0.000 9.175) 9.175 22.283 ( 0.000 0.000 0.166) 0.166 22.285 ( 0.000 0.000 -0.187) 0.187 22.368 ( 0.000 0.000 -13.517) 13.517 23.505 ( 0.000 0.000 12.250) 12.250 23.706 ( 0.000 0.000 -8.940) 8.940 ======================= Grid point 171 (56/81) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 16.379 0.000 13.854) 21.452 1.272 ( 10.949 0.000 21.110) 23.780 1.290 ( 10.162 0.000 -12.378) 16.015 1.628 ( 6.317 0.000 -16.375) 17.551 1.906 ( -2.901 0.000 5.338) 6.076 1.997 ( -5.015 0.000 -4.273) 6.589 2.246 ( -2.864 0.000 1.058) 3.053 2.266 ( -2.959 0.000 -0.979) 3.116 2.354 ( -10.705 0.000 13.420) 17.166 2.516 ( -7.104 0.000 -5.127) 8.761 2.590 ( 15.596 0.000 34.683) 38.028 2.658 ( 1.771 0.000 0.980) 2.024 2.693 ( 1.039 0.000 -2.766) 2.955 2.850 ( 2.382 0.000 4.665) 5.238 2.906 ( 4.988 0.000 0.357) 5.001 2.977 ( 0.142 0.000 1.490) 1.497 2.983 ( 0.036 0.000 0.652) 0.653 3.276 ( 3.001 0.000 -6.988) 7.605 3.332 ( 4.991 0.000 6.303) 8.040 3.676 ( -3.859 0.000 -4.002) 5.560 3.732 ( -1.006 0.000 1.086) 1.480 3.748 ( 6.829 0.000 -27.798) 28.624 3.754 ( -0.183 0.000 0.541) 0.571 3.769 ( -0.521 0.000 -1.045) 1.168 4.200 ( -9.212 0.000 -3.072) 9.711 4.285 ( -8.093 0.000 -10.617) 13.349 4.377 ( -13.641 0.000 16.755) 21.606 4.808 ( -6.754 0.000 -24.688) 25.595 5.246 ( 8.176 0.000 4.730) 9.446 5.296 ( 4.536 0.000 -0.245) 4.542 5.992 ( 1.942 0.000 0.749) 2.082 6.038 ( 1.791 0.000 -4.071) 4.448 6.466 ( 3.295 0.000 12.108) 12.548 6.599 ( 6.276 0.000 -0.705) 6.315 7.053 ( 1.839 0.000 13.967) 14.088 7.336 ( -1.875 0.000 -13.821) 13.948 8.858 ( 4.755 0.000 15.246) 15.970 9.126 ( 11.006 0.000 3.590) 11.577 9.144 ( -1.016 0.000 -14.030) 14.067 9.195 ( 7.803 0.000 -1.875) 8.025 9.687 ( 3.514 0.000 5.109) 6.200 9.913 ( 0.927 0.000 -19.449) 19.471 10.968 ( -1.227 0.000 6.553) 6.667 11.120 ( -3.972 0.000 -8.931) 9.774 11.507 ( 3.038 0.000 22.129) 22.337 11.821 ( -2.813 0.000 -8.413) 8.871 12.447 ( -2.773 0.000 20.998) 21.180 12.797 ( -2.621 0.000 -15.310) 15.532 13.050 ( 1.129 0.000 12.096) 12.149 13.255 ( -4.821 0.000 -6.254) 7.897 13.312 ( -10.099 0.000 8.054) 12.917 13.410 ( -12.151 0.000 -1.539) 12.248 13.544 ( 4.397 0.000 3.555) 5.655 13.690 ( -0.220 0.000 -8.329) 8.332 13.852 ( -9.328 0.000 11.717) 14.976 14.008 ( -6.354 0.000 -3.226) 7.126 14.564 ( 13.453 0.000 14.146) 19.521 14.994 ( 5.478 0.000 -25.589) 26.169 15.697 ( -0.028 0.000 2.360) 2.360 15.780 ( -2.139 0.000 -6.232) 6.589 16.336 ( 3.217 0.000 6.137) 6.929 16.433 ( 1.703 0.000 -3.530) 3.920 16.639 ( -0.267 0.000 6.174) 6.180 16.741 ( -1.607 0.000 -4.283) 4.575 17.012 ( -3.023 0.000 11.162) 11.565 17.100 ( 5.445 0.000 6.569) 8.532 17.208 ( 4.207 0.000 -9.666) 10.542 17.360 ( -4.392 0.000 -14.139) 14.805 17.553 ( 4.608 0.000 -1.969) 5.011 17.603 ( 0.742 0.000 -8.600) 8.632 18.707 ( -0.027 0.000 0.420) 0.421 18.715 ( -0.209 0.000 -0.432) 0.480 18.980 ( 2.833 0.000 16.426) 16.668 19.228 ( 0.408 0.000 -10.270) 10.278 20.335 ( -3.170 0.000 11.646) 12.070 20.521 ( -7.061 0.000 -6.177) 9.381 21.319 ( 6.025 0.000 7.237) 9.417 21.461 ( 8.254 0.000 -7.206) 10.957 21.975 ( -11.733 0.000 3.321) 12.194 22.066 ( -14.027 0.000 -5.629) 15.114 22.403 ( 6.171 0.000 4.014) 7.361 22.470 ( 5.039 0.000 -2.326) 5.550 23.481 ( -1.325 0.000 10.527) 10.610 23.661 ( -3.984 0.000 -8.299) 9.205 ======================= Grid point 172 (57/81) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 16.211 0.000 6.416) 17.434 1.519 ( 8.736 0.000 -5.561) 10.355 1.580 ( 17.272 0.000 13.291) 21.794 1.792 ( -6.970 0.000 2.660) 7.460 1.812 ( 5.227 0.000 -9.039) 10.441 1.844 ( -8.713 0.000 -2.596) 9.091 2.080 ( -8.531 0.000 5.555) 10.180 2.205 ( -0.929 0.000 0.235) 0.958 2.211 ( -1.642 0.000 -0.443) 1.701 2.258 ( -15.143 0.000 -10.628) 18.501 2.693 ( 1.331 0.000 -0.212) 1.348 2.706 ( 0.066 0.000 -1.664) 1.666 2.964 ( 8.124 0.000 10.969) 13.650 2.980 ( 0.193 0.000 1.277) 1.291 2.983 ( -0.068 0.000 0.919) 0.921 3.003 ( 10.321 0.000 19.469) 22.036 3.047 ( 13.661 0.000 5.387) 14.685 3.265 ( -5.449 0.000 5.371) 7.651 3.377 ( 0.815 0.000 9.744) 9.778 3.535 ( -9.251 0.000 0.747) 9.281 3.749 ( 7.247 0.000 1.693) 7.442 3.752 ( 0.056 0.000 0.046) 0.073 3.758 ( -0.501 0.000 -0.564) 0.754 3.945 ( -10.935 0.000 7.513) 13.267 4.039 ( 3.096 0.000 -14.931) 15.248 4.112 ( -9.159 0.000 -3.251) 9.719 4.167 ( 8.564 0.000 -21.791) 23.413 4.542 ( -18.069 0.000 -31.975) 36.727 5.353 ( 2.684 0.000 5.763) 6.358 5.365 ( 1.704 0.000 4.873) 5.162 6.056 ( 2.912 0.000 -1.957) 3.508 6.077 ( 1.003 0.000 -3.860) 3.988 6.587 ( 7.110 0.000 15.119) 16.708 6.685 ( -0.426 0.000 8.450) 8.461 7.113 ( 5.212 0.000 -0.494) 5.236 7.249 ( -6.335 0.000 -11.120) 12.798 8.981 ( 6.405 0.000 7.683) 10.003 9.094 ( -4.040 0.000 -3.795) 5.543 9.331 ( 6.581 0.000 -0.476) 6.598 9.348 ( 4.758 0.000 -1.943) 5.140 9.784 ( 5.592 0.000 -3.552) 6.625 9.891 ( -3.605 0.000 -15.252) 15.672 10.962 ( 1.206 0.000 0.526) 1.316 11.024 ( -4.471 0.000 -5.724) 7.263 11.602 ( 5.882 0.000 14.540) 15.685 11.730 ( -5.813 0.000 1.848) 6.100 12.449 ( 4.376 0.000 17.457) 17.997 12.632 ( -11.511 0.000 -0.932) 11.548 13.088 ( 2.625 0.000 7.472) 7.920 13.159 ( -4.156 0.000 1.342) 4.368 13.191 ( -1.401 0.000 4.514) 4.727 13.225 ( -4.808 0.000 2.745) 5.536 13.627 ( 3.245 0.000 -1.841) 3.731 13.675 ( -1.413 0.000 -5.504) 5.682 13.735 ( -0.120 0.000 6.262) 6.263 13.840 ( -8.462 0.000 -2.552) 8.838 14.845 ( 12.038 0.000 8.675) 14.839 15.017 ( -3.818 0.000 -6.486) 7.527 15.704 ( 0.830 0.000 -0.286) 0.877 15.734 ( -2.012 0.000 -3.352) 3.909 16.409 ( 3.313 0.000 4.525) 5.608 16.453 ( -0.471 0.000 0.783) 0.914 16.648 ( 1.489 0.000 1.490) 2.106 16.695 ( -2.608 0.000 -2.770) 3.804 16.984 ( 2.327 0.000 -2.971) 3.773 17.095 ( -6.719 0.000 -9.633) 11.745 17.327 ( 7.012 0.000 -2.410) 7.415 17.375 ( 2.760 0.000 -5.858) 6.476 17.586 ( -0.346 0.000 -3.358) 3.376 17.601 ( -1.328 0.000 -5.564) 5.721 18.707 ( 0.075 0.000 0.155) 0.172 18.710 ( -0.221 0.000 -0.171) 0.280 19.081 ( 6.375 0.000 10.661) 12.421 19.199 ( -3.838 0.000 -1.516) 4.127 20.305 ( 1.169 0.000 5.393) 5.518 20.383 ( -5.790 0.000 -1.777) 6.056 21.482 ( 9.454 0.000 5.481) 10.928 21.627 ( 7.682 0.000 -8.507) 11.462 21.714 ( -12.533 0.000 2.566) 12.793 21.807 ( -10.138 0.000 -6.037) 11.800 22.507 ( 3.673 0.000 5.633) 6.725 22.539 ( 1.003 0.000 2.776) 2.952 23.486 ( 2.110 0.000 3.072) 3.727 23.563 ( -4.834 0.000 -4.726) 6.761 ======================= Grid point 175 (58/81) ======================= q-point: ( 0.00 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.000 11.438 20.319) 23.318 1.316 ( 0.000 34.410 11.363) 36.238 1.539 ( 0.000 31.491 -9.403) 32.865 1.645 ( 0.000 8.627 -15.199) 17.476 2.104 ( 0.000 15.751 5.181) 16.581 2.197 ( 0.000 13.559 -3.189) 13.929 2.368 ( 0.000 10.276 31.194) 32.843 2.456 ( 0.000 9.978 0.684) 10.001 2.544 ( 0.000 8.163 3.672) 8.951 2.550 ( 0.000 8.318 0.984) 8.376 2.670 ( 0.000 13.093 1.550) 13.185 2.751 ( 0.000 10.840 0.539) 10.853 2.822 ( 0.000 13.715 -0.664) 13.731 2.854 ( 0.000 1.920 10.602) 10.774 2.887 ( 0.000 4.702 -2.649) 5.397 3.157 ( 0.000 15.946 2.590) 16.155 3.182 ( 0.000 17.865 -0.017) 17.865 3.255 ( 0.000 2.901 -5.661) 6.361 3.267 ( 0.000 2.094 4.893) 5.322 3.606 ( 0.000 1.095 -38.692) 38.708 3.760 ( 0.000 2.383 7.593) 7.958 3.803 ( 0.000 3.126 0.090) 3.127 3.904 ( 0.000 12.149 2.758) 12.458 3.925 ( 0.000 13.514 -0.653) 13.530 4.317 ( 0.000 1.985 -6.892) 7.172 4.384 ( 0.000 0.889 -11.521) 11.555 4.600 ( 0.000 3.743 14.760) 15.227 4.876 ( 0.000 2.242 -13.044) 13.235 5.121 ( 0.000 2.453 4.086) 4.766 5.228 ( 0.000 0.748 -7.038) 7.078 5.924 ( 0.000 -5.815 2.710) 6.416 5.978 ( 0.000 -4.076 -3.243) 5.209 6.416 ( 0.000 -3.235 8.491) 9.086 6.496 ( 0.000 -2.565 -1.135) 2.804 6.989 ( 0.000 -3.281 18.589) 18.876 7.314 ( 0.000 -3.469 -14.821) 15.221 8.955 ( 0.000 -1.773 9.621) 9.783 9.030 ( 0.000 6.734 1.483) 6.895 9.394 ( 0.000 28.137 -3.179) 28.316 9.463 ( 0.000 15.733 -8.412) 17.840 9.799 ( 0.000 25.136 1.621) 25.189 9.957 ( 0.000 12.004 -14.549) 18.861 11.169 ( 0.000 15.281 8.381) 17.429 11.312 ( 0.000 9.424 -0.803) 9.458 11.546 ( 0.000 9.995 13.322) 16.655 11.848 ( 0.000 0.647 -10.680) 10.700 12.519 ( 0.000 4.418 18.453) 18.975 12.818 ( 0.000 -0.382 -5.508) 5.521 12.853 ( 0.000 -9.997 4.106) 10.807 13.082 ( 0.000 -16.042 -13.442) 20.929 13.367 ( 0.000 -4.192 12.822) 13.490 13.552 ( 0.000 3.869 3.747) 5.387 13.557 ( 0.000 -2.038 -7.017) 7.307 13.675 ( 0.000 0.978 -9.642) 9.692 14.252 ( 0.000 18.011 3.554) 18.359 14.365 ( 0.000 20.429 14.330) 24.954 14.401 ( 0.000 2.221 1.905) 2.926 14.868 ( 0.000 -1.083 -21.676) 21.703 15.596 ( 0.000 -25.509 14.641) 29.412 15.797 ( 0.000 -18.107 -7.561) 19.623 15.856 ( 0.000 -4.759 0.895) 4.842 15.944 ( 0.000 -16.483 -7.526) 18.120 16.554 ( 0.000 0.405 5.144) 5.160 16.608 ( 0.000 3.173 0.984) 3.322 17.021 ( 0.000 -0.308 -1.264) 1.301 17.039 ( 0.000 -1.648 -5.735) 5.967 17.458 ( 0.000 -3.317 -0.367) 3.337 17.469 ( 0.000 -1.929 -0.061) 1.930 18.127 ( 0.000 42.389 -3.091) 42.502 18.199 ( 0.000 55.356 -12.227) 56.691 18.601 ( 0.000 -7.799 5.913) 9.787 18.678 ( 0.000 -3.229 -2.929) 4.360 19.046 ( 0.000 6.476 11.087) 12.839 19.243 ( 0.000 2.033 -9.553) 9.767 20.374 ( 0.000 -0.709 12.148) 12.169 20.591 ( 0.000 -3.035 -9.872) 10.328 21.217 ( 0.000 -3.750 6.331) 7.358 21.292 ( 0.000 -5.204 -2.126) 5.621 22.052 ( 0.000 -9.694 7.806) 12.446 22.169 ( 0.000 -13.008 -1.685) 13.117 22.210 ( 0.000 -6.751 0.117) 6.752 22.261 ( 0.000 -7.325 -7.041) 10.160 23.439 ( 0.000 -6.026 13.448) 14.736 23.650 ( 0.000 -5.513 -9.078) 10.621 ======================= Grid point 176 (59/81) ======================= q-point: ( 0.20 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 3.858 13.355 15.941) 21.151 1.495 ( 7.931 15.478 -0.655) 17.404 1.541 ( 6.311 24.041 2.509) 24.982 1.764 ( 9.115 18.826 -11.616) 23.926 2.080 ( -2.994 14.722 4.317) 15.631 2.150 ( -5.699 13.153 -3.089) 14.664 2.349 ( -4.662 7.176 8.008) 11.720 2.430 ( -4.321 12.432 -2.708) 13.437 2.488 ( -5.744 12.706 2.853) 14.233 2.540 ( -3.460 10.324 -1.246) 10.960 2.667 ( 7.742 9.284 20.747) 24.012 2.787 ( 3.338 9.096 0.904) 9.732 2.851 ( 3.866 13.218 2.015) 13.918 2.873 ( 1.919 5.861 7.577) 9.770 2.924 ( 3.942 3.359 1.238) 5.325 3.129 ( -1.320 11.298 0.478) 11.385 3.191 ( 0.814 16.894 2.664) 17.122 3.318 ( 3.441 4.171 5.448) 7.676 3.342 ( 6.116 5.909 -1.942) 8.723 3.699 ( -1.977 3.609 -5.868) 7.167 3.722 ( 2.762 0.657 -4.063) 4.956 3.769 ( 1.476 2.964 -19.401) 19.681 3.887 ( -0.116 11.860 0.506) 11.871 3.909 ( -1.215 12.666 -2.219) 12.917 4.231 ( -7.389 3.067 -5.621) 9.777 4.299 ( -7.675 1.387 -11.669) 14.035 4.420 ( -13.610 5.863 18.453) 23.666 4.824 ( -6.616 2.283 -22.703) 23.758 5.246 ( 7.349 0.545 4.229) 8.497 5.288 ( 3.952 -0.500 -0.019) 3.983 5.941 ( 2.429 -4.995 1.523) 5.759 5.997 ( 1.831 -4.105 -4.195) 6.148 6.436 ( 3.312 -2.895 11.936) 12.721 6.568 ( 5.773 -3.000 -0.606) 6.534 7.015 ( 1.764 -3.718 13.999) 14.591 7.298 ( -2.105 -3.797 -13.877) 14.540 9.031 ( 6.113 1.618 10.194) 11.996 9.120 ( 7.630 4.236 -1.460) 8.848 9.413 ( 3.160 18.289 1.335) 18.608 9.558 ( 7.781 26.596 -12.118) 30.244 9.817 ( 1.150 23.078 1.739) 23.172 9.951 ( -1.279 11.072 -14.009) 17.902 11.108 ( -4.664 10.611 6.916) 13.497 11.247 ( -6.278 8.976 -5.015) 12.047 11.571 ( 2.577 7.952 14.595) 16.819 11.827 ( -2.203 1.557 -7.993) 8.436 12.473 ( -2.664 3.947 21.478) 21.999 12.812 ( -3.597 0.729 -9.062) 9.777 12.855 ( 0.460 -11.846 5.912) 13.248 13.013 ( -4.320 -12.255 -5.576) 14.140 13.370 ( 0.117 -5.193 4.781) 7.059 13.423 ( -5.946 2.513 1.667) 6.667 13.565 ( -1.837 4.882 -0.353) 5.228 13.663 ( -2.636 1.082 -7.647) 8.161 14.043 ( -10.026 13.829 12.949) 21.435 14.240 ( -9.909 15.941 -6.239) 19.780 14.608 ( 12.954 5.654 13.088) 19.263 14.956 ( 4.428 -3.068 -19.129) 19.873 15.578 ( -0.848 -19.814 7.235) 21.111 15.689 ( -5.102 -13.538 -4.754) 15.228 15.996 ( 8.370 -11.217 -1.657) 14.093 16.026 ( 5.950 -16.641 -4.474) 18.230 16.516 ( -3.127 -1.495 3.792) 5.137 16.540 ( -5.085 0.549 2.113) 5.534 17.095 ( 8.529 0.539 3.709) 9.316 17.198 ( 9.808 -0.423 -7.321) 12.246 17.413 ( -2.588 0.091 1.014) 2.781 17.468 ( -1.098 -1.653 -3.830) 4.314 18.062 ( -4.775 39.376 -3.386) 39.809 18.133 ( -5.829 46.302 -11.549) 48.076 18.648 ( 3.822 -3.264 4.145) 6.515 18.703 ( 1.647 -0.206 -2.280) 2.821 19.061 ( 2.026 6.823 12.512) 14.395 19.265 ( 1.337 3.917 -8.809) 9.733 20.331 ( -3.315 -0.650 10.975) 11.483 20.499 ( -6.730 -2.434 -5.099) 8.787 21.279 ( 5.651 -3.955 5.547) 8.851 21.394 ( 7.552 -6.554 -6.048) 11.686 21.883 ( -10.989 -8.713 3.066) 14.356 21.968 ( -13.085 -9.478 -5.238) 16.985 22.320 ( 6.988 -7.726 5.054) 11.579 22.393 ( 5.880 -7.217 -2.069) 9.536 23.427 ( -0.605 -5.209 10.883) 12.080 23.608 ( -3.697 -5.187 -8.244) 10.418 ======================= Grid point 177 (60/81) ======================= q-point: ( 0.40 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 12.452 4.186 9.627) 16.286 1.597 ( 2.069 3.880 -5.820) 7.294 1.786 ( 10.577 16.856 11.288) 22.879 1.923 ( -1.452 14.793 1.736) 14.965 1.987 ( -0.850 14.165 -3.183) 14.543 2.020 ( -0.552 13.265 -8.888) 15.977 2.193 ( -8.332 15.381 3.984) 17.941 2.269 ( -9.921 6.948 -4.184) 12.814 2.406 ( -1.297 18.313 -0.288) 18.362 2.427 ( -3.790 17.817 -2.708) 18.416 2.805 ( 2.815 10.019 1.059) 10.461 2.830 ( 0.172 11.537 -2.029) 11.715 2.974 ( 7.123 1.949 7.229) 10.334 3.023 ( 4.478 4.015 6.245) 8.670 3.058 ( 7.473 6.477 5.036) 11.098 3.108 ( -1.050 9.141 0.615) 9.222 3.239 ( 5.677 12.463 15.256) 20.501 3.321 ( -2.212 8.776 6.670) 11.243 3.436 ( 3.350 9.718 8.152) 13.119 3.586 ( -6.428 7.862 1.809) 10.315 3.752 ( 5.297 2.136 0.228) 5.716 3.827 ( -1.474 5.939 -2.497) 6.609 3.884 ( 0.328 10.389 0.779) 10.423 4.041 ( -12.050 9.577 11.578) 19.261 4.068 ( 4.667 4.533 -14.179) 15.601 4.123 ( -7.449 2.334 -6.729) 10.306 4.194 ( 7.364 3.253 -19.817) 21.390 4.562 ( -17.850 2.709 -30.361) 35.324 5.345 ( 2.617 -0.444 5.442) 6.055 5.356 ( 1.802 -0.543 4.636) 5.004 6.009 ( 2.976 -4.726 -1.647) 5.823 6.033 ( 0.787 -4.422 -3.869) 5.928 6.554 ( 6.797 -3.172 14.846) 16.634 6.647 ( -0.396 -3.581 8.636) 9.357 7.076 ( 5.184 -3.691 -0.516) 6.385 7.209 ( -6.252 -3.949 -10.958) 13.220 9.163 ( 5.668 5.282 7.563) 10.828 9.226 ( 0.579 4.726 0.077) 4.762 9.570 ( 11.337 17.143 3.361) 20.826 9.722 ( 4.323 42.166 -5.809) 42.783 9.806 ( -1.703 3.265 -6.699) 7.644 9.885 ( -4.616 13.546 -13.496) 19.671 11.035 ( -1.032 3.768 1.272) 4.109 11.096 ( -6.533 3.805 -4.530) 8.814 11.650 ( 4.853 5.651 10.041) 12.503 11.754 ( -4.659 3.494 0.246) 5.829 12.475 ( 3.830 3.237 18.963) 19.615 12.635 ( -10.541 0.010 5.768) 12.016 12.883 ( 2.382 -10.448 1.061) 10.769 12.945 ( -3.184 -8.296 -3.406) 9.516 13.376 ( 1.559 6.994 3.970) 8.192 13.420 ( 4.458 2.884 -0.036) 5.309 13.479 ( -5.345 0.693 4.914) 7.294 13.560 ( -6.035 -2.109 -3.491) 7.284 13.955 ( 1.070 13.185 2.088) 13.392 14.049 ( -7.570 14.192 -4.965) 16.834 14.846 ( 9.305 0.214 6.402) 11.297 14.975 ( -2.808 -4.088 -5.215) 7.197 15.579 ( 0.926 -13.924 -1.271) 14.012 15.613 ( -2.421 -12.389 -4.206) 13.305 16.139 ( 4.362 -17.877 -1.675) 18.478 16.145 ( 4.360 -12.776 -2.537) 13.736 16.441 ( -3.002 -2.106 2.894) 4.672 16.448 ( -3.224 -1.479 1.941) 4.043 17.281 ( 6.968 1.284 3.797) 8.039 17.335 ( 1.332 1.049 0.604) 1.800 17.393 ( 1.901 -0.121 -4.334) 4.734 17.437 ( -1.538 0.940 -6.064) 6.326 17.980 ( -2.103 36.541 -5.626) 37.031 18.009 ( -4.772 38.265 -8.649) 39.520 18.714 ( 1.893 0.860 0.443) 2.126 18.726 ( 0.446 1.515 -0.854) 1.795 19.147 ( 5.854 7.407 10.061) 13.797 19.254 ( -3.178 6.546 -0.874) 7.329 20.293 ( 0.771 -1.311 5.429) 5.638 20.366 ( -5.594 -1.893 -1.204) 6.028 21.432 ( 8.861 -4.865 3.921) 10.843 21.551 ( 7.484 -7.394 -7.516) 12.929 21.645 ( -11.424 -6.476 1.643) 13.235 21.724 ( -9.701 -8.058 -5.548) 13.778 22.437 ( 3.987 -6.829 5.548) 9.660 22.470 ( 1.099 -6.744 2.508) 7.278 23.440 ( 2.260 -4.492 3.228) 5.975 23.516 ( -4.618 -4.645 -4.481) 7.936 ======================= Grid point 180 (61/81) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 14.969 11.315) 18.764 1.704 ( 0.000 10.304 -1.608) 10.429 2.019 ( 0.000 20.510 11.875) 23.700 2.173 ( 0.000 29.443 -3.514) 29.652 2.404 ( 0.000 11.431 -0.326) 11.435 2.485 ( 0.000 11.983 -7.859) 14.330 2.635 ( 0.000 12.394 -0.148) 12.395 2.644 ( 0.000 6.000 -1.009) 6.085 2.711 ( 0.000 24.039 13.025) 27.341 2.768 ( 0.000 10.633 1.621) 10.756 2.950 ( 0.000 8.855 8.750) 12.449 2.994 ( 0.000 16.482 0.102) 16.483 3.008 ( 0.000 12.566 -0.603) 12.581 3.043 ( 0.000 11.287 -1.278) 11.359 3.180 ( 0.000 21.165 7.103) 22.325 3.386 ( 0.000 10.404 2.691) 10.747 3.388 ( 0.000 12.579 3.521) 13.063 3.514 ( 0.000 17.583 3.372) 17.904 3.524 ( 0.000 13.979 -2.530) 14.206 3.718 ( 0.000 12.425 -29.008) 31.557 3.850 ( 0.000 6.259 9.953) 11.758 3.944 ( 0.000 11.759 -4.874) 12.729 4.221 ( 0.000 20.764 5.643) 21.518 4.253 ( 0.000 17.662 -1.116) 17.697 4.413 ( 0.000 10.742 -9.102) 14.080 4.414 ( 0.000 2.760 -10.344) 10.706 4.779 ( 0.000 15.157 8.918) 17.586 4.970 ( 0.000 8.103 -10.160) 12.996 5.215 ( 0.000 7.878 1.195) 7.968 5.263 ( 0.000 3.222 -3.821) 4.998 5.779 ( 0.000 -8.647 5.069) 10.024 5.868 ( 0.000 -6.943 -4.525) 8.288 6.330 ( 0.000 -5.349 8.910) 10.392 6.430 ( 0.000 -3.989 -2.532) 4.725 6.901 ( 0.000 -5.554 17.969) 18.808 7.216 ( 0.000 -6.549 -14.512) 15.922 8.954 ( 0.000 2.509 11.972) 12.232 9.152 ( 0.000 7.567 -7.914) 10.949 9.575 ( 0.000 1.812 0.146) 1.818 9.614 ( 0.000 0.053 -5.147) 5.147 10.440 ( 0.000 26.690 -0.438) 26.694 10.505 ( 0.000 34.764 -8.422) 35.770 11.384 ( 0.000 4.339 6.508) 7.822 11.405 ( 0.000 2.558 9.537) 9.874 11.834 ( 0.000 14.874 -0.681) 14.890 11.913 ( 0.000 5.583 -2.840) 6.264 12.597 ( 0.000 -2.819 7.392) 7.911 12.689 ( 0.000 -6.010 -1.545) 6.206 12.952 ( 0.000 11.632 6.147) 13.156 13.037 ( 0.000 18.509 -5.894) 19.425 13.349 ( 0.000 4.187 4.434) 6.099 13.518 ( 0.000 -1.795 -10.302) 10.457 13.642 ( 0.000 6.186 1.643) 6.400 13.734 ( 0.000 5.390 -8.487) 10.054 14.407 ( 0.000 0.742 12.868) 12.889 14.524 ( 0.000 8.505 -1.650) 8.664 14.798 ( 0.000 19.535 1.064) 19.564 14.897 ( 0.000 2.468 -6.514) 6.966 15.206 ( 0.000 -5.477 1.051) 5.577 15.230 ( 0.000 -20.198 -1.380) 20.245 15.961 ( 0.000 8.305 0.557) 8.323 16.006 ( 0.000 6.373 -4.699) 7.918 16.572 ( 0.000 0.650 6.419) 6.452 16.696 ( 0.000 3.447 -6.166) 7.064 17.026 ( 0.000 1.657 -1.734) 2.399 17.037 ( 0.000 2.333 -1.816) 2.957 17.364 ( 0.000 -5.944 1.045) 6.035 17.401 ( 0.000 -4.331 -1.655) 4.637 18.463 ( 0.000 -6.037 9.785) 11.497 18.606 ( 0.000 -2.194 -5.949) 6.341 18.844 ( 0.000 26.183 3.593) 26.428 18.965 ( 0.000 16.046 -5.717) 17.035 19.245 ( 0.000 20.794 -3.923) 21.161 19.293 ( 0.000 4.694 -4.848) 6.748 20.338 ( 0.000 -3.353 9.336) 9.920 20.499 ( 0.000 -6.206 -7.118) 9.443 21.125 ( 0.000 -5.236 3.180) 6.126 21.161 ( 0.000 -7.801 -0.974) 7.862 21.821 ( 0.000 -12.464 5.633) 13.678 21.893 ( 0.000 -13.004 -1.716) 13.117 22.041 ( 0.000 -10.383 1.266) 10.460 22.095 ( 0.000 -9.722 -3.928) 10.486 23.297 ( 0.000 -8.251 13.309) 15.659 23.506 ( 0.000 -8.886 -8.929) 12.597 ======================= Grid point 181 (62/81) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -0.959 14.329 10.568) 17.830 1.691 ( -1.003 8.925 -5.906) 10.749 2.019 ( 1.872 18.603 16.140) 24.699 2.261 ( 4.907 22.676 -2.631) 23.349 2.309 ( -6.277 12.213 -3.144) 14.087 2.399 ( -8.689 9.306 -6.471) 14.282 2.621 ( -0.549 15.857 -0.120) 15.867 2.627 ( -1.462 15.713 -0.178) 15.782 2.766 ( 3.160 8.316 3.634) 9.610 2.807 ( 2.987 9.061 -0.134) 9.542 2.936 ( -0.373 20.073 6.907) 21.231 2.991 ( 0.663 16.076 0.802) 16.110 3.085 ( 1.943 14.964 0.420) 15.095 3.113 ( 5.100 16.363 -0.847) 17.160 3.220 ( 7.239 18.365 12.981) 23.626 3.294 ( -4.069 9.999 2.546) 11.091 3.328 ( -2.681 6.358 6.314) 9.352 3.580 ( 1.383 13.416 4.106) 14.098 3.589 ( 3.993 12.381 -0.897) 13.040 3.829 ( 8.674 11.589 -22.092) 26.412 3.858 ( 2.352 11.863 6.058) 13.527 3.919 ( -1.239 14.263 -7.196) 16.024 4.182 ( -2.478 17.324 1.225) 17.543 4.209 ( -3.881 17.770 -0.455) 18.194 4.336 ( -4.922 6.750 -8.427) 11.866 4.368 ( -4.665 10.888 -7.908) 14.242 4.655 ( -11.212 18.303 10.468) 23.881 4.926 ( -5.977 8.997 -17.135) 20.256 5.292 ( 4.649 3.233 1.651) 5.899 5.296 ( 3.166 3.497 1.028) 4.828 5.809 ( 2.983 -8.186 3.230) 9.292 5.885 ( 1.577 -7.172 -4.626) 8.679 6.359 ( 3.564 -4.814 11.548) 13.009 6.492 ( 4.941 -4.625 -1.184) 6.871 6.919 ( 1.437 -5.965 13.544) 14.869 7.193 ( -2.521 -6.863 -13.518) 15.368 9.032 ( 6.763 1.241 12.203) 14.006 9.230 ( 6.652 7.074 -7.777) 12.441 9.523 ( -1.049 -0.796 6.327) 6.463 9.713 ( 5.136 -0.692 -12.696) 13.713 10.483 ( 4.310 28.071 0.577) 28.406 10.555 ( 4.702 36.385 -7.685) 37.484 11.271 ( -9.852 7.289 6.886) 14.057 11.342 ( -7.523 2.725 2.832) 8.488 11.789 ( -1.813 10.181 4.894) 11.441 11.922 ( -0.618 8.358 -6.437) 10.567 12.570 ( -1.619 -0.130 9.191) 9.333 12.668 ( -0.718 -6.415 2.019) 6.763 12.860 ( -7.176 10.427 7.035) 14.481 13.065 ( -0.922 16.337 -11.709) 20.121 13.279 ( -3.377 -3.146 8.597) 9.758 13.462 ( -2.858 2.009 -7.142) 7.950 13.673 ( 1.111 7.573 0.081) 7.655 13.760 ( 0.973 8.180 -8.115) 11.563 14.282 ( -7.530 9.661 12.615) 17.583 14.471 ( -6.815 8.145 -5.956) 12.176 14.796 ( 1.771 10.399 3.862) 11.234 14.896 ( -0.539 -3.371 -5.283) 6.290 15.295 ( 5.643 -9.029 -0.688) 10.669 15.305 ( 6.532 -5.807 -1.648) 8.894 15.977 ( 2.189 6.386 2.567) 7.223 16.051 ( 2.988 5.819 -4.638) 8.018 16.490 ( -5.777 -1.475 4.464) 7.448 16.568 ( -8.725 1.231 -4.064) 9.704 17.131 ( 9.057 2.847 2.610) 9.846 17.184 ( 8.560 -1.017 -3.588) 9.337 17.347 ( -1.125 -4.839 1.870) 5.308 17.416 ( 1.090 -2.599 -4.116) 4.988 18.459 ( -0.097 -0.710 6.670) 6.708 18.583 ( -2.141 2.314 -6.424) 7.156 18.794 ( -3.364 14.121 1.990) 14.652 18.888 ( -6.499 14.911 -8.265) 18.245 19.259 ( 5.337 15.293 8.937) 18.500 19.430 ( 6.813 15.345 -8.788) 18.950 20.300 ( -3.272 -2.724 8.698) 9.683 20.423 ( -5.780 -5.270 -3.121) 8.422 21.179 ( 4.736 -6.032 1.748) 7.866 21.232 ( 5.838 -9.410 -3.541) 11.627 21.683 ( -8.820 -10.695 2.188) 14.034 21.749 ( -10.947 -11.476 -4.266) 16.424 22.138 ( 7.392 -10.372 5.495) 13.871 22.216 ( 6.304 -10.296 -2.136) 12.260 23.297 ( 0.259 -7.809 10.549) 13.127 23.472 ( -3.090 -8.498 -7.841) 11.969 ======================= Grid point 182 (63/81) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 5.845 8.875 7.235) 12.856 1.677 ( -1.838 5.486 -2.545) 6.321 2.021 ( -1.157 7.862 6.641) 10.356 2.129 ( -9.637 7.261 -2.253) 12.275 2.304 ( 4.526 17.657 0.908) 18.250 2.387 ( 2.290 21.274 -7.011) 22.516 2.552 ( -3.071 17.849 2.471) 18.279 2.592 ( -3.176 19.460 -1.071) 19.746 2.805 ( 0.320 15.577 1.037) 15.615 2.822 ( -1.145 22.015 -0.522) 22.051 2.966 ( 4.601 7.522 5.604) 10.447 3.034 ( 0.859 8.942 -0.446) 8.994 3.140 ( 3.767 11.620 2.605) 12.490 3.190 ( 3.046 15.317 -2.042) 15.750 3.225 ( -3.527 7.116 2.966) 8.478 3.250 ( -2.481 8.833 0.662) 9.199 3.436 ( 5.639 16.884 14.630) 23.041 3.531 ( -4.866 9.651 4.177) 11.587 3.726 ( 12.518 8.740 4.410) 15.892 3.928 ( -2.736 4.537 -7.452) 9.143 3.940 ( 3.712 26.841 5.287) 27.608 3.959 ( 5.407 20.265 2.000) 21.069 4.093 ( -4.644 12.745 -0.360) 13.569 4.208 ( -9.257 10.841 1.344) 14.319 4.248 ( 4.760 14.919 -7.848) 17.516 4.335 ( 3.242 13.172 -14.827) 20.096 4.382 ( -5.847 20.925 1.155) 21.757 4.683 ( -16.508 10.715 -23.709) 30.813 5.355 ( 2.615 2.022 4.446) 5.540 5.371 ( 1.567 2.970 2.899) 4.437 5.881 ( 3.081 -8.151 -0.843) 8.754 5.912 ( 0.250 -7.822 -3.782) 8.692 6.473 ( 6.262 -5.072 13.921) 16.085 6.557 ( -0.475 -5.458 8.191) 9.855 6.977 ( 4.910 -6.256 -0.422) 7.964 7.102 ( -6.000 -6.842 -10.340) 13.774 9.192 ( 7.662 0.477 12.281) 14.483 9.305 ( -1.915 3.631 4.893) 6.387 9.604 ( 8.813 -3.043 -4.624) 10.407 9.750 ( -2.880 -3.103 -15.198) 15.776 10.622 ( 8.571 35.754 1.950) 36.819 10.684 ( 5.833 45.616 -4.583) 46.215 11.035 ( -9.329 -0.913 2.263) 9.643 11.107 ( -12.759 3.225 -4.020) 13.760 11.802 ( 2.818 7.499 5.209) 9.556 11.876 ( -3.485 7.627 -2.349) 8.708 12.571 ( 2.315 4.587 13.219) 14.182 12.659 ( -4.138 3.413 17.118) 17.939 12.758 ( 2.868 -0.408 -6.315) 6.947 12.919 ( -9.985 3.572 -9.490) 14.231 13.324 ( 5.335 -2.490 2.719) 6.485 13.415 ( -2.715 0.519 -4.918) 5.641 13.681 ( 0.730 13.428 2.692) 13.715 13.731 ( -3.294 14.261 -0.983) 14.669 14.210 ( 1.286 12.919 2.661) 13.252 14.308 ( -7.321 12.148 -5.497) 15.211 14.844 ( 2.161 -0.902 1.257) 2.658 14.878 ( -1.187 -4.907 -2.128) 5.478 15.399 ( 3.491 -2.425 -1.129) 4.398 15.412 ( 2.602 -0.733 -2.352) 3.583 16.045 ( 3.787 3.142 3.181) 5.859 16.092 ( 0.137 3.141 -1.154) 3.349 16.392 ( -2.538 -2.726 1.447) 3.995 16.419 ( -4.845 -1.444 -1.623) 5.310 17.276 ( 3.636 -3.815 1.421) 5.458 17.317 ( -0.209 -6.286 -1.321) 6.426 17.351 ( 5.705 2.904 2.118) 6.743 17.428 ( -0.855 0.578 -4.110) 4.237 18.472 ( 1.599 10.499 -0.502) 10.632 18.525 ( -3.150 12.473 -5.880) 14.144 18.745 ( -0.868 1.222 -0.124) 1.504 18.772 ( -3.691 3.512 -3.508) 6.185 19.405 ( 7.223 18.612 8.782) 21.811 19.501 ( -0.847 18.547 -0.797) 18.583 20.250 ( -0.137 -3.084 4.808) 5.713 20.307 ( -4.900 -4.091 -0.341) 6.392 21.309 ( 7.617 -7.748 0.145) 10.866 21.364 ( 6.341 -11.389 -5.271) 14.061 21.501 ( -8.697 -7.244 -0.837) 11.350 21.531 ( -8.848 -10.404 -3.415) 14.079 22.266 ( 4.307 -9.973 5.001) 11.959 22.300 ( 1.304 -10.006 1.869) 10.262 23.322 ( 2.401 -7.383 3.360) 8.459 23.393 ( -4.073 -7.751 -3.881) 9.577 ======================= Grid point 185 (64/81) ======================= q-point: ( 0.00 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.000 12.748 5.380) 13.837 1.890 ( 0.000 8.953 0.521) 8.968 2.313 ( 0.000 11.941 20.463) 23.692 2.512 ( 0.000 6.777 2.805) 7.334 2.622 ( 0.000 4.598 -8.998) 10.105 2.647 ( 0.000 13.385 -12.345) 18.209 2.748 ( 0.000 4.315 3.298) 5.431 2.794 ( 0.000 3.804 -1.052) 3.947 3.031 ( 0.000 7.371 -0.315) 7.378 3.037 ( 0.000 14.378 0.793) 14.400 3.168 ( 0.000 6.881 -0.390) 6.892 3.251 ( 0.000 17.917 -6.730) 19.139 3.326 ( 0.000 14.956 2.838) 15.223 3.340 ( 0.000 16.331 1.221) 16.376 3.534 ( 0.000 5.915 5.643) 8.175 3.601 ( 0.000 10.051 -0.502) 10.063 3.638 ( 0.000 25.170 10.086) 27.116 3.838 ( 0.000 17.674 -2.836) 17.900 3.929 ( 0.000 11.915 6.968) 13.803 3.965 ( 0.000 17.904 7.701) 19.490 4.036 ( 0.000 17.412 -12.832) 21.630 4.158 ( 0.000 8.997 -10.634) 13.930 4.507 ( 0.000 9.340 -3.056) 9.828 4.520 ( 0.000 14.034 -5.676) 15.139 4.721 ( 0.000 27.608 5.690) 28.189 4.844 ( 0.000 28.855 -6.166) 29.506 5.122 ( 0.000 15.453 3.379) 15.818 5.190 ( 0.000 12.556 -3.848) 13.133 5.369 ( 0.000 7.621 1.928) 7.861 5.434 ( 0.000 13.647 -4.926) 14.509 5.640 ( 0.000 -1.745 5.388) 5.664 5.739 ( 0.000 -3.989 -4.895) 6.315 6.229 ( 0.000 -4.060 9.283) 10.131 6.359 ( 0.000 -2.583 -4.738) 5.396 6.783 ( 0.000 -6.176 16.196) 17.334 7.065 ( 0.000 -8.664 -13.089) 15.697 9.075 ( 0.000 10.241 13.296) 16.783 9.337 ( 0.000 11.378 -13.400) 17.579 9.562 ( 0.000 -4.596 1.718) 4.906 9.586 ( 0.000 -0.770 -0.323) 0.835 10.864 ( 0.000 18.765 5.510) 19.558 10.998 ( 0.000 17.240 -9.737) 19.800 11.406 ( 0.000 0.453 5.169) 5.189 11.473 ( 0.000 5.397 0.971) 5.484 11.986 ( 0.000 0.892 11.775) 11.809 12.090 ( 0.000 11.503 -0.100) 11.503 12.539 ( 0.000 -8.811 -9.295) 12.807 12.542 ( 0.000 0.007 -9.213) 9.213 13.065 ( 0.000 -1.142 23.312) 23.340 13.456 ( 0.000 8.074 5.769) 9.923 13.506 ( 0.000 7.995 -18.260) 19.934 13.565 ( 0.000 11.189 -1.973) 11.361 13.832 ( 0.000 13.423 -1.291) 13.485 13.882 ( 0.000 9.134 -6.185) 11.031 14.411 ( 0.000 -0.816 10.269) 10.302 14.559 ( 0.000 -4.262 -5.177) 6.706 14.944 ( 0.000 6.189 0.416) 6.203 14.984 ( 0.000 12.745 -4.453) 13.501 15.332 ( 0.000 21.504 4.824) 22.039 15.406 ( 0.000 18.726 -3.035) 18.971 16.119 ( 0.000 5.136 -0.308) 5.145 16.124 ( 0.000 8.219 0.906) 8.269 16.568 ( 0.000 -0.980 5.178) 5.270 16.693 ( 0.000 -3.243 -9.214) 9.768 17.071 ( 0.000 -1.975 -1.616) 2.552 17.073 ( 0.000 -1.113 -1.925) 2.223 17.288 ( 0.000 2.033 4.327) 4.781 17.351 ( 0.000 1.488 -1.853) 2.376 18.367 ( 0.000 -4.003 11.594) 12.265 18.556 ( 0.000 -2.877 -8.578) 9.048 19.038 ( 0.000 -1.458 2.962) 3.301 19.071 ( 0.000 0.248 -0.742) 0.783 19.509 ( 0.000 14.004 5.458) 15.030 19.668 ( 0.000 16.541 -11.219) 19.987 20.236 ( 0.000 -7.132 6.426) 9.600 20.361 ( 0.000 -7.744 -6.827) 10.324 21.013 ( 0.000 -6.527 0.890) 6.587 21.037 ( 0.000 -3.257 -1.496) 3.584 21.615 ( 0.000 -8.542 4.990) 9.893 21.673 ( 0.000 -11.049 -1.654) 11.172 21.825 ( 0.000 -10.805 3.603) 11.390 21.919 ( 0.000 -6.666 -5.555) 8.677 23.130 ( 0.000 -8.714 11.869) 14.725 23.320 ( 0.000 -9.891 -8.245) 12.877 ======================= Grid point 186 (65/81) ======================= q-point: ( 0.20 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -2.464 12.851 5.729) 14.284 1.868 ( -2.146 8.921 -1.228) 9.257 2.271 ( -4.378 9.813 13.631) 17.357 2.469 ( -6.591 7.458 -2.547) 10.273 2.537 ( -1.402 8.973 -0.574) 9.100 2.678 ( 2.086 11.748 -8.474) 14.635 2.770 ( 0.927 4.424 2.649) 5.239 2.818 ( 1.350 2.789 -1.250) 3.341 2.963 ( -0.395 12.568 2.320) 12.786 3.041 ( 0.687 10.359 -4.085) 11.157 3.218 ( 1.220 7.921 3.677) 8.818 3.305 ( 3.348 11.626 -3.095) 12.487 3.371 ( -1.137 12.772 4.324) 13.532 3.407 ( -1.262 17.104 1.605) 17.226 3.461 ( 4.309 10.923 0.995) 11.784 3.508 ( -5.390 12.083 -0.706) 13.249 3.699 ( 4.734 20.778 7.699) 22.658 3.796 ( -1.744 9.325 1.684) 9.635 3.896 ( -4.460 20.381 4.326) 21.307 4.073 ( 6.969 10.666 -3.782) 13.290 4.102 ( 2.541 15.760 -7.959) 17.838 4.200 ( 7.077 13.327 -3.428) 15.474 4.453 ( -2.935 14.070 -1.606) 14.462 4.514 ( -0.509 14.199 -6.450) 15.603 4.696 ( -1.575 28.411 3.987) 28.733 4.791 ( -3.763 26.794 -3.940) 27.342 5.081 ( -7.240 23.265 2.675) 24.512 5.181 ( -3.753 16.210 -8.090) 18.501 5.374 ( 2.109 6.818 3.391) 7.901 5.442 ( 2.596 7.771 -3.270) 8.822 5.675 ( 2.472 -1.644 3.288) 4.430 5.745 ( 0.620 -5.284 -3.880) 6.584 6.265 ( 3.659 -4.119 10.786) 12.112 6.403 ( 3.484 -3.904 -2.657) 5.868 6.795 ( 1.136 -6.361 12.170) 13.779 7.039 ( -2.615 -8.624 -12.110) 15.095 9.115 ( 3.742 7.728 14.606) 16.943 9.396 ( 4.600 9.842 -12.378) 16.469 9.474 ( -3.230 -3.538 8.800) 10.019 9.680 ( 3.978 -2.545 -10.497) 11.511 10.873 ( 1.056 15.211 5.083) 16.073 10.995 ( -0.296 12.116 -8.594) 14.857 11.411 ( 0.384 6.724 7.149) 9.822 11.512 ( 2.279 13.608 -2.078) 13.953 11.875 ( -5.844 0.262 14.157) 15.318 12.118 ( -2.041 9.169 -11.213) 14.628 12.498 ( 2.115 -4.869 0.955) 5.394 12.603 ( 2.601 0.868 -8.455) 8.889 13.037 ( -3.820 0.729 19.741) 20.120 13.307 ( -13.097 5.388 1.821) 14.278 13.408 ( -6.408 13.588 -3.103) 15.340 13.532 ( -1.909 6.006 -11.412) 13.037 13.884 ( 3.833 12.516 -0.266) 13.093 13.935 ( 2.999 8.224 -5.271) 10.218 14.399 ( -0.511 1.965 8.718) 8.952 14.544 ( -1.690 -2.241 -5.920) 6.552 14.918 ( -1.928 8.829 0.108) 9.038 14.939 ( -3.447 12.580 -2.239) 13.235 15.391 ( 5.625 16.461 4.338) 17.929 15.471 ( 4.632 15.458 -3.837) 16.587 16.138 ( 2.683 9.285 3.397) 10.245 16.171 ( 2.307 6.329 0.816) 6.786 16.462 ( -7.700 -1.355 3.811) 8.698 16.587 ( -8.147 1.167 -10.454) 13.305 17.097 ( 2.276 -6.499 0.881) 6.942 17.134 ( 3.114 -6.539 -3.013) 7.845 17.333 ( 4.465 5.009 5.126) 8.445 17.410 ( 4.080 2.568 -2.501) 5.431 18.397 ( 3.232 -4.084 9.179) 10.553 18.561 ( 0.897 -3.030 -8.072) 8.669 18.914 ( -8.725 -0.153 3.223) 9.303 18.987 ( -8.375 -1.346 -4.455) 9.581 19.592 ( 7.516 15.408 8.844) 19.291 19.770 ( 7.084 15.124 -9.665) 19.296 20.224 ( -1.367 -5.004 5.333) 7.440 20.307 ( -4.493 -6.135 -2.809) 8.106 21.037 ( 2.360 -8.482 0.426) 8.815 21.072 ( 3.017 -6.147 -3.602) 7.737 21.494 ( -7.320 -8.570 2.548) 11.555 21.555 ( -9.043 -8.958 -3.602) 13.229 21.939 ( 8.094 -9.264 5.689) 13.553 22.029 ( 6.375 -7.849 -3.390) 10.665 23.135 ( 0.680 -8.545 9.446) 12.756 23.293 ( -2.477 -9.567 -7.072) 12.152 ======================= Grid point 187 (66/81) ======================= q-point: ( 0.40 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.887 10.567 4.345) 11.460 1.813 ( -2.910 8.079 0.237) 8.591 2.186 ( -1.302 9.557 2.483) 9.960 2.271 ( -8.777 8.041 -5.633) 13.169 2.611 ( 6.042 13.179 6.883) 16.048 2.735 ( -4.515 10.498 3.541) 11.964 2.754 ( 4.821 7.122 -6.695) 10.899 2.841 ( -1.595 5.027 -5.424) 7.565 3.004 ( 5.485 10.438 6.505) 13.467 3.105 ( 5.858 6.204 -1.944) 8.751 3.180 ( -9.431 9.439 8.510) 15.825 3.229 ( -3.757 3.158 4.689) 6.788 3.345 ( -0.259 18.455 -2.054) 18.571 3.360 ( -1.293 14.099 -1.779) 14.270 3.534 ( 5.254 15.326 2.874) 16.455 3.576 ( 3.027 14.698 -2.792) 15.264 3.726 ( -1.890 11.419 3.715) 12.156 3.742 ( -4.725 10.674 3.576) 12.208 3.898 ( 5.774 11.445 -0.430) 12.827 4.019 ( -5.388 7.146 -11.141) 14.290 4.297 ( 9.249 16.560 4.534) 19.502 4.358 ( 4.385 14.460 1.380) 15.173 4.457 ( 3.774 20.280 -1.805) 20.707 4.508 ( -0.705 18.843 -2.603) 19.035 4.688 ( 0.352 28.593 0.453) 28.599 4.753 ( 1.561 26.850 -5.852) 27.525 4.851 ( -9.608 26.700 3.379) 28.577 4.993 ( -12.399 20.562 -11.845) 26.774 5.459 ( 4.297 9.520 1.947) 10.625 5.500 ( 0.971 10.042 -1.966) 10.278 5.722 ( 2.056 -6.216 0.512) 6.567 5.752 ( -0.459 -7.318 -2.476) 7.739 6.368 ( 5.442 -5.184 11.909) 14.082 6.444 ( -0.848 -5.722 6.389) 8.618 6.846 ( 4.288 -6.729 -0.079) 7.979 6.955 ( -5.287 -7.940 -8.927) 13.065 9.220 ( 6.065 2.970 17.019) 18.309 9.347 ( -5.693 0.243 15.635) 16.641 9.579 ( 8.223 1.767 -16.140) 18.200 9.702 ( -2.566 -1.913 -17.159) 17.455 10.917 ( 3.103 7.246 2.512) 8.273 10.976 ( -1.931 3.872 -3.882) 5.814 11.423 ( 1.349 21.152 6.588) 22.196 11.488 ( -4.164 26.182 1.342) 26.545 11.863 ( 4.773 -1.133 3.683) 6.135 12.001 ( -7.345 4.387 -10.497) 13.542 12.646 ( 10.201 -0.663 4.519) 11.177 12.691 ( 6.911 8.317 1.131) 10.872 12.878 ( -9.553 3.008 5.689) 11.518 12.982 ( -16.076 5.031 -1.311) 16.896 13.381 ( 3.117 6.617 2.740) 7.811 13.469 ( -4.175 4.648 -5.085) 8.055 13.948 ( 2.075 11.448 -0.961) 11.674 13.969 ( 0.200 8.538 -2.832) 8.998 14.417 ( 2.396 5.592 2.130) 6.446 14.485 ( -3.637 3.371 -4.301) 6.564 14.883 ( -1.107 9.393 -0.084) 9.459 14.884 ( -1.368 10.299 -0.189) 10.391 15.516 ( 4.973 11.837 1.556) 12.933 15.550 ( 1.931 11.747 -1.763) 12.035 16.184 ( 0.545 10.187 7.216) 12.495 16.191 ( -0.183 5.695 6.095) 8.343 16.356 ( -0.430 -0.125 -3.475) 3.504 16.429 ( -6.184 4.332 -10.046) 12.567 17.144 ( 1.904 -8.833 0.615) 9.057 17.165 ( 0.053 -8.908 -1.473) 9.029 17.432 ( 3.833 4.242 2.840) 6.384 17.466 ( 0.691 2.571 -0.352) 2.685 18.511 ( 7.518 -2.895 4.145) 9.060 18.608 ( 2.795 -1.336 -5.837) 6.608 18.729 ( -7.434 -3.155 1.811) 8.276 18.792 ( -8.994 -2.318 -4.769) 10.441 19.766 ( 8.120 16.219 7.902) 19.784 19.866 ( 0.209 16.672 -1.904) 16.782 20.185 ( -0.960 -3.142 2.696) 4.250 20.219 ( -3.379 -4.470 -0.148) 5.605 21.106 ( 3.705 -12.734 -1.580) 13.355 21.134 ( 1.896 -11.983 -5.081) 13.153 21.367 ( -3.996 -6.007 -0.100) 7.215 21.387 ( -5.788 -5.247 -2.052) 8.077 22.080 ( 4.703 -8.296 4.026) 10.351 22.116 ( 1.432 -7.946 0.510) 8.090 23.165 ( 2.332 -8.464 3.241) 9.359 23.228 ( -3.433 -8.899 -3.212) 10.065 ======================= Grid point 190 (67/81) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.000 9.388 1.991) 9.596 2.043 ( 0.000 6.586 2.786) 7.152 2.523 ( 0.000 9.897 16.543) 19.278 2.619 ( 0.000 5.053 0.564) 5.085 2.699 ( 0.000 3.573 -7.323) 8.148 2.762 ( 0.000 0.126 -0.614) 0.627 2.827 ( 0.000 4.054 0.191) 4.059 2.887 ( 0.000 5.495 -10.163) 11.553 3.149 ( 0.000 5.226 0.516) 5.251 3.215 ( 0.000 5.284 -7.208) 8.937 3.343 ( 0.000 10.083 6.342) 11.912 3.436 ( 0.000 4.897 1.397) 5.092 3.508 ( 0.000 3.045 2.753) 4.105 3.543 ( 0.000 5.490 -5.821) 8.002 3.786 ( 0.000 16.964 1.854) 17.065 3.850 ( 0.000 15.146 -4.021) 15.671 3.967 ( 0.000 0.351 13.739) 13.743 4.036 ( 0.000 13.711 3.098) 14.057 4.080 ( 0.000 6.348 -2.809) 6.942 4.200 ( 0.000 2.145 -8.180) 8.456 4.465 ( 0.000 20.381 -1.905) 20.469 4.485 ( 0.000 25.163 -2.384) 25.276 4.789 ( 0.000 19.092 1.822) 19.179 4.879 ( 0.000 21.569 -7.385) 22.798 5.156 ( 0.000 -5.561 6.834) 8.811 5.242 ( 0.000 22.201 7.987) 23.594 5.253 ( 0.000 -3.845 -3.348) 5.098 5.398 ( 0.000 21.033 -7.940) 22.482 5.571 ( 0.000 12.750 4.466) 13.509 5.678 ( 0.000 12.559 -7.165) 14.459 5.856 ( 0.000 13.254 4.580) 14.023 5.870 ( 0.000 20.549 1.492) 20.603 6.255 ( 0.000 9.819 4.053) 10.622 6.371 ( 0.000 5.128 -6.824) 8.536 6.688 ( 0.000 -2.436 12.499) 12.734 6.901 ( 0.000 -7.212 -9.780) 12.152 9.355 ( 0.000 18.351 11.573) 21.695 9.440 ( 0.000 -7.787 6.668) 10.252 9.532 ( 0.000 -5.105 -2.474) 5.673 9.593 ( 0.000 14.908 -12.824) 19.665 11.203 ( 0.000 14.921 1.231) 14.972 11.247 ( 0.000 9.554 -4.301) 10.477 11.450 ( 0.000 4.698 8.910) 10.072 11.635 ( 0.000 10.749 -9.213) 14.157 12.001 ( 0.000 3.334 13.218) 13.632 12.258 ( 0.000 4.924 -7.236) 8.752 12.396 ( 0.000 -3.788 0.041) 3.788 12.570 ( 0.000 1.368 -11.990) 12.068 13.010 ( 0.000 -3.187 23.202) 23.420 13.430 ( 0.000 -3.165 -16.613) 16.912 13.669 ( 0.000 1.534 4.530) 4.782 13.685 ( 0.000 4.977 0.443) 4.997 14.024 ( 0.000 4.277 -2.303) 4.857 14.034 ( 0.000 5.799 -4.094) 7.098 14.400 ( 0.000 1.356 5.117) 5.293 14.474 ( 0.000 -2.244 -2.722) 3.528 15.274 ( 0.000 23.557 2.692) 23.711 15.362 ( 0.000 22.319 -6.394) 23.216 15.738 ( 0.000 18.290 3.735) 18.668 15.772 ( 0.000 17.215 -0.492) 17.222 16.216 ( 0.000 5.256 3.683) 6.418 16.275 ( 0.000 7.153 0.307) 7.160 16.532 ( 0.000 -3.000 2.251) 3.751 16.599 ( 0.000 -5.952 -6.488) 8.805 16.926 ( 0.000 -9.981 0.795) 10.012 16.969 ( 0.000 -7.981 -3.273) 8.626 17.424 ( 0.000 8.366 2.632) 8.770 17.469 ( 0.000 8.431 -2.051) 8.677 18.304 ( 0.000 -2.292 10.828) 11.068 18.492 ( 0.000 -3.578 -8.755) 9.458 18.975 ( 0.000 -4.655 2.378) 5.227 19.009 ( 0.000 -5.314 -1.185) 5.444 19.680 ( 0.000 2.066 7.788) 8.057 19.828 ( 0.000 -0.876 -7.094) 7.148 20.086 ( 0.000 -6.844 5.663) 8.883 20.226 ( 0.000 -4.718 -9.370) 10.491 20.938 ( 0.000 -0.968 2.893) 3.051 21.011 ( 0.000 0.485 -5.003) 5.027 21.415 ( 0.000 -15.415 0.759) 15.434 21.423 ( 0.000 -12.901 0.098) 12.902 21.705 ( 0.000 -0.020 9.365) 9.365 21.878 ( 0.000 1.967 -8.907) 9.121 22.966 ( 0.000 -8.020 10.204) 12.978 23.132 ( 0.000 -9.255 -7.334) 11.809 ======================= Grid point 191 (68/81) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -2.414 9.295 3.315) 10.159 2.026 ( -1.842 7.624 1.488) 7.983 2.452 ( -4.714 9.152 6.662) 12.262 2.593 ( -7.210 5.907 -8.557) 12.652 2.696 ( 4.547 4.900 4.622) 8.127 2.763 ( -0.267 2.153 0.850) 2.330 2.821 ( 0.578 2.614 1.450) 3.044 2.948 ( 4.606 6.753 -8.400) 11.721 3.123 ( 0.234 4.224 3.991) 5.816 3.182 ( -3.407 6.692 -0.127) 7.510 3.365 ( 0.673 7.515 -0.129) 7.546 3.432 ( -2.395 4.895 -2.517) 6.003 3.527 ( 3.804 4.235 1.646) 5.926 3.591 ( 1.064 3.041 -2.058) 3.823 3.753 ( -1.204 14.908 5.675) 15.997 3.809 ( -4.290 14.412 -1.448) 15.106 3.916 ( -0.205 6.638 4.194) 7.854 3.990 ( -2.477 8.830 -2.189) 9.428 4.187 ( 2.995 6.692 0.401) 7.342 4.220 ( -0.049 5.696 -2.955) 6.417 4.474 ( 3.354 17.992 -0.867) 18.323 4.506 ( 1.954 19.570 -3.541) 19.984 4.793 ( 1.285 20.277 2.390) 20.458 4.893 ( 1.513 21.734 -7.349) 22.992 5.112 ( -2.543 2.244 4.361) 5.524 5.169 ( -1.003 12.157 -0.379) 12.204 5.409 ( 7.775 9.803 3.970) 13.127 5.491 ( 3.489 17.921 -2.548) 18.434 5.568 ( -0.786 12.952 -0.408) 12.982 5.599 ( -3.200 16.086 -3.541) 16.779 5.821 ( -2.987 14.596 4.773) 15.644 5.887 ( 0.639 16.783 -1.913) 16.904 6.265 ( 1.200 7.066 5.591) 9.090 6.378 ( 0.391 2.640 -4.368) 5.119 6.698 ( 1.016 -2.550 9.243) 9.641 6.880 ( -2.064 -6.812 -8.966) 11.448 9.333 ( -1.477 12.600 13.524) 18.543 9.398 ( -2.176 -1.733 12.450) 12.757 9.591 ( 3.391 -0.046 -11.005) 11.515 9.634 ( 3.398 7.641 -13.291) 15.703 11.171 ( -2.272 15.861 1.270) 16.073 11.211 ( -2.631 11.386 -3.590) 12.225 11.527 ( 5.835 4.393 9.026) 11.611 11.697 ( 5.064 3.745 -5.588) 8.420 11.923 ( -4.788 7.665 9.973) 13.459 12.210 ( -6.018 0.548 -17.594) 18.603 12.465 ( 7.923 2.807 8.495) 11.950 12.654 ( 6.249 2.334 -10.186) 12.176 13.006 ( -0.934 -1.322 21.661) 21.721 13.368 ( -6.911 1.052 -11.711) 13.639 13.550 ( -7.264 2.807 5.766) 9.689 13.645 ( -4.822 4.202 -4.464) 7.800 14.035 ( 0.676 2.149 -1.471) 2.691 14.059 ( 1.957 4.873 -3.802) 6.484 14.402 ( 0.514 0.611 3.690) 3.776 14.470 ( -0.265 -2.690 -3.169) 4.166 15.262 ( -1.063 23.275 2.590) 23.443 15.327 ( -3.014 23.176 -4.171) 23.740 15.714 ( -0.300 14.402 3.925) 14.930 15.773 ( -0.653 13.599 -2.147) 13.783 16.261 ( 1.794 4.267 5.864) 7.470 16.346 ( 6.516 9.233 -0.695) 11.322 16.439 ( -6.768 -0.299 5.668) 8.833 16.617 ( 1.440 1.537 -11.821) 12.007 16.931 ( 0.385 -9.512 1.351) 9.615 16.976 ( 0.735 -8.678 -3.066) 9.233 17.448 ( 2.042 5.737 4.235) 7.418 17.506 ( 1.982 6.414 -1.832) 6.959 18.310 ( 1.564 -4.785 9.047) 10.353 18.477 ( -0.452 -5.435 -8.239) 9.881 18.854 ( -9.758 -5.337 2.794) 11.468 18.907 ( -9.053 -6.216 -2.797) 11.332 19.780 ( 8.517 2.981 8.462) 12.371 19.928 ( 8.058 -0.195 -6.663) 10.458 20.125 ( 3.040 -3.862 4.410) 6.603 20.226 ( -0.849 -0.849 -6.117) 6.234 20.906 ( -2.586 -4.490 2.113) 5.596 20.971 ( -3.130 -4.571 -4.918) 7.408 21.327 ( -5.078 -9.424 2.192) 10.928 21.365 ( -5.008 -10.771 -1.552) 11.979 21.823 ( 8.511 -1.737 6.834) 11.052 21.950 ( 5.058 -0.058 -6.432) 8.183 22.972 ( 0.726 -8.086 8.211) 11.547 23.110 ( -2.036 -9.073 -6.221) 11.188 ======================= Grid point 192 (69/81) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -1.157 9.338 2.793) 9.815 1.977 ( -2.233 8.624 1.397) 9.017 2.387 ( -0.634 10.775 -0.182) 10.796 2.442 ( -5.820 9.350 -5.849) 12.470 2.758 ( 1.118 -1.241 -0.117) 1.675 2.764 ( 0.306 1.299 -0.457) 1.411 2.912 ( 6.979 8.644 5.920) 12.588 3.007 ( -0.941 9.507 -3.775) 10.272 3.144 ( 1.073 4.774 3.433) 5.977 3.168 ( 3.304 1.472 1.714) 4.003 3.303 ( -5.852 5.764 5.532) 9.903 3.337 ( -4.710 7.002 1.049) 8.503 3.584 ( 1.274 5.128 0.249) 5.289 3.636 ( 1.119 9.899 -1.544) 10.081 3.714 ( 1.276 1.513 -1.683) 2.599 3.788 ( -0.446 11.829 -2.221) 12.044 3.915 ( -0.082 9.979 1.768) 10.135 3.948 ( -1.844 10.693 -1.068) 10.903 4.158 ( -0.476 11.597 -0.084) 11.607 4.202 ( -3.144 8.956 -4.599) 10.548 4.561 ( 3.937 12.413 1.332) 13.091 4.582 ( 2.591 10.738 -0.643) 11.065 4.856 ( 4.114 17.216 0.678) 17.714 4.916 ( -0.624 17.265 -4.770) 17.923 5.113 ( 3.589 12.807 3.998) 13.888 5.186 ( 0.906 14.512 -3.739) 15.013 5.372 ( -5.592 25.920 1.486) 26.558 5.427 ( -6.903 22.220 -4.173) 23.639 5.613 ( 7.258 6.409 5.812) 11.293 5.726 ( 3.342 14.387 -1.848) 14.886 5.749 ( -0.112 13.030 2.340) 13.239 5.861 ( -3.662 17.175 -5.238) 18.326 6.311 ( 3.081 1.372 7.139) 7.896 6.368 ( -1.762 -0.616 2.847) 3.405 6.739 ( 3.126 -3.398 0.495) 4.644 6.817 ( -3.809 -5.405 -6.197) 9.062 9.323 ( 0.698 6.611 16.920) 18.179 9.355 ( -2.036 3.219 16.993) 17.414 9.657 ( 2.702 3.115 -17.293) 17.778 9.683 ( 0.622 2.236 -16.935) 17.093 11.140 ( -0.305 15.735 0.102) 15.738 11.160 ( -1.992 14.244 -2.132) 14.539 11.646 ( 5.265 2.867 12.048) 13.457 11.737 ( -2.921 -3.631 12.744) 13.569 11.924 ( 5.927 12.133 -11.469) 17.717 12.068 ( -7.074 3.748 -16.681) 18.502 12.657 ( 9.764 1.522 6.921) 12.064 12.787 ( 3.006 -2.178 -5.790) 6.878 12.954 ( -0.574 10.835 13.800) 17.555 13.141 ( -13.143 10.270 -3.628) 17.070 13.471 ( 0.611 1.367 4.391) 4.639 13.540 ( -4.800 1.936 -1.982) 5.542 14.055 ( 1.262 1.179 -3.118) 3.564 14.077 ( -0.431 2.510 -4.863) 5.490 14.429 ( 1.829 -1.192 0.643) 2.276 14.460 ( -0.935 -2.638 -2.341) 3.649 15.243 ( -0.279 23.828 1.490) 23.877 15.265 ( -2.361 24.208 -0.763) 24.335 15.736 ( 1.696 8.828 1.948) 9.198 15.760 ( -0.592 8.323 -0.515) 8.360 16.261 ( -0.343 2.158 6.806) 7.148 16.301 ( -4.639 0.774 5.032) 6.888 16.515 ( 7.464 15.654 -2.578) 17.533 16.621 ( -2.239 13.544 -11.423) 17.859 16.958 ( 2.010 -9.763 1.206) 10.041 16.985 ( -0.259 -9.190 -1.639) 9.339 17.483 ( 1.269 0.818 3.613) 3.916 17.511 ( -1.235 1.685 0.624) 2.181 18.409 ( 8.139 -7.117 5.132) 11.968 18.520 ( 5.087 -7.134 -6.260) 10.768 18.626 ( -11.189 -7.137 2.923) 13.589 18.694 ( -10.225 -7.319 -4.129) 13.235 19.980 ( 9.820 4.481 7.185) 12.967 20.093 ( 6.568 2.233 -4.510) 8.274 20.154 ( -5.908 2.622 1.859) 6.726 20.167 ( -0.534 1.846 0.210) 1.933 20.870 ( -0.107 -10.589 -0.591) 10.606 20.904 ( -2.944 -11.133 -4.276) 12.284 21.253 ( -1.423 -6.571 1.055) 6.806 21.275 ( -3.150 -6.698 -1.000) 7.469 21.977 ( 5.336 -1.826 2.953) 6.366 22.023 ( 1.039 -1.286 -1.746) 2.405 23.001 ( 2.102 -8.325 2.975) 9.087 23.056 ( -2.935 -8.688 -2.689) 9.557 ======================= Grid point 195 (70/81) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 0.000 4.059 3.786) 5.551 2.187 ( 0.000 5.930 -1.051) 6.022 2.692 ( 0.000 0.467 2.229) 2.278 2.696 ( 0.000 7.641 9.580) 12.254 2.760 ( 0.000 2.288 -5.153) 5.639 2.765 ( 0.000 3.129 3.063) 4.379 2.917 ( 0.000 5.589 -3.701) 6.703 2.972 ( 0.000 3.499 -8.794) 9.464 3.236 ( 0.000 4.183 1.351) 4.395 3.290 ( 0.000 3.046 -4.921) 5.788 3.499 ( 0.000 1.472 3.408) 3.712 3.513 ( 0.000 5.089 3.406) 6.123 3.583 ( 0.000 7.313 -1.138) 7.401 3.625 ( 0.000 5.085 -4.424) 6.740 3.958 ( 0.000 -0.696 13.089) 13.107 4.027 ( 0.000 5.185 -1.255) 5.335 4.070 ( 0.000 4.996 -3.994) 6.396 4.145 ( 0.000 2.007 -2.821) 3.462 4.213 ( 0.000 5.859 -0.387) 5.872 4.229 ( 0.000 2.279 -4.618) 5.150 4.826 ( 0.000 13.867 6.052) 15.130 4.830 ( 0.000 2.452 8.108) 8.471 4.976 ( 0.000 9.389 -5.907) 11.093 5.037 ( 0.000 -6.498 -9.732) 11.703 5.310 ( 0.000 19.403 4.304) 19.874 5.357 ( 0.000 18.739 -0.477) 18.746 5.519 ( 0.000 6.373 0.063) 6.374 5.575 ( 0.000 0.313 -5.742) 5.750 5.882 ( 0.000 19.258 7.308) 20.598 5.995 ( 0.000 15.473 -0.622) 15.485 6.102 ( 0.000 12.793 6.173) 14.205 6.222 ( 0.000 11.948 0.069) 11.948 6.558 ( 0.000 12.648 -4.650) 13.476 6.592 ( 0.000 21.012 -5.748) 21.784 6.745 ( 0.000 9.189 8.267) 12.360 6.866 ( 0.000 6.409 -4.407) 7.778 9.272 ( 0.000 -8.940 7.622) 11.748 9.391 ( 0.000 -8.909 -4.545) 10.001 9.768 ( 0.000 23.473 7.126) 24.531 9.914 ( 0.000 17.970 -7.936) 19.645 11.324 ( 0.000 -1.455 2.274) 2.699 11.382 ( 0.000 3.835 -4.405) 5.840 11.649 ( 0.000 13.968 7.762) 15.980 11.826 ( 0.000 7.386 -10.148) 12.551 12.177 ( 0.000 14.084 5.192) 15.010 12.312 ( 0.000 4.818 -8.371) 9.658 12.435 ( 0.000 5.147 7.485) 9.084 12.567 ( 0.000 -1.552 -6.197) 6.388 12.960 ( 0.000 -1.772 19.822) 19.902 13.349 ( 0.000 -5.042 -18.384) 19.062 13.683 ( 0.000 0.790 5.622) 5.677 13.743 ( 0.000 1.942 -2.128) 2.881 14.037 ( 0.000 -0.674 3.488) 3.553 14.128 ( 0.000 4.780 -6.008) 7.677 14.493 ( 0.000 7.571 1.201) 7.666 14.506 ( 0.000 5.217 -0.158) 5.219 15.701 ( 0.000 18.143 0.705) 18.157 15.740 ( 0.000 14.955 -3.205) 15.295 16.010 ( 0.000 9.490 3.548) 10.132 16.040 ( 0.000 10.092 0.057) 10.092 16.335 ( 0.000 7.041 5.250) 8.783 16.372 ( 0.000 -0.162 2.695) 2.700 16.443 ( 0.000 -6.267 -0.088) 6.267 16.497 ( 0.000 -1.299 -5.740) 5.885 16.739 ( 0.000 -8.400 2.184) 8.679 16.812 ( 0.000 -7.364 -4.327) 8.541 17.553 ( 0.000 4.598 2.860) 5.414 17.612 ( 0.000 5.423 -3.356) 6.378 18.286 ( 0.000 0.396 7.826) 7.836 18.431 ( 0.000 -2.303 -7.253) 7.610 18.862 ( 0.000 -6.898 1.375) 7.033 18.880 ( 0.000 -7.811 -0.399) 7.821 19.591 ( 0.000 -9.245 4.317) 10.203 19.676 ( 0.000 -11.893 -4.451) 12.698 20.011 ( 0.000 -1.378 8.256) 8.370 20.182 ( 0.000 -1.132 -9.462) 9.529 20.960 ( 0.000 2.504 3.561) 4.354 21.039 ( 0.000 1.773 -5.006) 5.310 21.096 ( 0.000 -16.879 2.001) 16.997 21.138 ( 0.000 -15.388 -2.281) 15.556 21.783 ( 0.000 6.622 9.497) 11.577 21.960 ( 0.000 5.688 -9.390) 10.979 22.820 ( 0.000 -6.923 8.674) 11.098 22.964 ( 0.000 -8.082 -6.416) 10.319 ======================= Grid point 196 (71/81) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -1.001 4.837 4.022) 6.370 2.178 ( -1.104 6.782 -0.992) 6.943 2.628 ( -2.958 8.916 2.729) 9.782 2.679 ( -1.721 0.408 0.265) 1.789 2.730 ( -2.073 2.909 -3.111) 4.737 2.787 ( -2.024 0.542 -4.292) 4.776 2.938 ( 5.536 7.665 5.209) 10.795 3.042 ( 4.745 3.503 -4.564) 7.457 3.189 ( -1.365 3.737 5.204) 6.551 3.302 ( -2.184 5.221 -4.711) 7.364 3.474 ( 0.435 3.105 5.153) 6.032 3.565 ( -0.492 8.993 -3.163) 9.545 3.597 ( 3.539 3.375 -2.620) 5.547 3.619 ( -1.227 1.420 -2.613) 3.217 3.863 ( -6.426 1.178 11.906) 13.581 3.999 ( -1.580 3.969 1.079) 4.406 4.071 ( -3.738 2.683 -3.885) 6.022 4.126 ( 3.783 7.304 -5.716) 10.016 4.257 ( 1.569 1.602 0.551) 2.309 4.288 ( 3.038 3.249 -1.805) 4.800 4.790 ( -1.297 8.460 5.546) 10.199 4.819 ( -1.232 9.591 5.192) 10.975 4.955 ( -1.676 4.567 -5.538) 7.371 5.017 ( -1.618 -5.760 -8.944) 10.760 5.340 ( 3.535 19.353 3.403) 19.965 5.416 ( 4.373 19.892 -3.702) 20.700 5.576 ( 6.247 2.783 6.147) 9.195 5.696 ( 7.458 2.692 -5.388) 9.586 5.885 ( 0.277 20.476 6.981) 21.635 5.960 ( -2.553 15.705 2.654) 16.131 6.103 ( -0.138 14.374 3.813) 14.872 6.214 ( -0.791 12.843 -3.351) 13.296 6.529 ( -2.303 12.516 -1.933) 12.872 6.564 ( -2.583 19.939 -4.730) 20.655 6.745 ( 0.102 8.145 5.906) 10.061 6.847 ( -1.785 5.872 -4.086) 7.373 9.300 ( 3.195 -4.170 10.255) 11.522 9.478 ( 7.391 -7.119 -7.910) 12.956 9.702 ( -5.625 20.791 9.760) 23.647 9.901 ( -1.906 15.615 -10.725) 19.039 11.350 ( 2.214 -0.155 2.026) 3.005 11.402 ( 1.478 4.173 -3.769) 5.814 11.648 ( 0.425 12.995 8.265) 15.406 11.812 ( -2.185 9.835 -7.418) 12.511 12.092 ( -3.267 7.922 3.568) 9.283 12.230 ( -5.454 2.967 -9.538) 11.381 12.573 ( 8.073 7.097 4.765) 11.758 12.662 ( 6.168 -0.991 -4.047) 7.444 13.006 ( 4.723 0.950 18.712) 19.322 13.352 ( 0.973 -2.686 -15.562) 15.822 13.590 ( -7.694 2.698 8.404) 11.709 13.705 ( -4.352 2.626 -4.433) 6.744 14.042 ( 0.430 -0.176 2.041) 2.093 14.123 ( -0.525 3.172 -5.822) 6.650 14.468 ( -1.913 5.801 0.694) 6.148 14.483 ( -1.901 4.114 -0.750) 4.594 15.683 ( -1.110 17.588 1.652) 17.700 15.725 ( -1.153 15.597 -2.591) 15.853 15.927 ( -5.139 8.388 3.897) 10.581 15.976 ( -5.303 7.920 -1.236) 9.611 16.315 ( -1.292 0.702 3.929) 4.195 16.368 ( -3.838 -3.264 -0.920) 5.122 16.537 ( 11.433 4.946 4.796) 13.348 16.650 ( 11.251 3.098 -3.920) 12.311 16.760 ( 1.628 -7.487 -0.494) 7.678 16.816 ( 0.471 -7.392 -3.831) 8.339 17.542 ( -1.671 3.654 4.681) 6.169 17.626 ( -0.593 5.480 -4.234) 6.950 18.216 ( -3.889 -4.823 7.815) 9.972 18.364 ( -4.301 -5.803 -7.532) 10.436 18.722 ( -11.156 -7.862 2.084) 13.806 18.761 ( -10.243 -8.483 -1.853) 13.428 19.720 ( 10.700 -7.097 4.548) 13.621 19.805 ( 10.470 -9.761 -4.279) 14.940 20.101 ( 6.915 0.468 7.467) 10.188 20.251 ( 4.640 1.860 -8.036) 9.464 20.842 ( -9.011 -4.372 0.346) 10.021 20.856 ( -9.179 -7.965 -0.994) 12.193 21.141 ( -0.455 -8.533 1.580) 8.690 21.173 ( 0.449 -7.074 -1.632) 7.273 21.865 ( 6.782 5.054 6.953) 10.950 22.004 ( 3.409 4.796 -7.672) 9.668 22.823 ( 0.398 -7.227 7.129) 10.159 22.943 ( -1.880 -8.080 -5.458) 9.930 ======================= Grid point 197 (72/81) ======================= q-point: ( 0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 0.050 7.017 2.633) 7.495 2.142 ( -1.962 7.843 0.171) 8.087 2.594 ( -0.200 10.155 -1.371) 10.249 2.622 ( -2.767 8.301 -4.423) 9.805 2.720 ( 0.745 -1.780 -0.511) 1.996 2.744 ( -1.551 -1.958 -2.829) 3.774 3.070 ( 5.634 5.664 4.001) 8.935 3.118 ( 0.964 2.146 -0.859) 2.504 3.207 ( 3.311 4.468 6.115) 8.266 3.269 ( -0.654 7.805 -0.529) 7.851 3.417 ( -3.742 5.820 5.188) 8.648 3.472 ( -6.378 6.428 -0.726) 9.085 3.626 ( 3.030 1.266 1.813) 3.751 3.715 ( -1.155 -0.281 1.532) 1.938 3.766 ( 3.878 4.885 -3.555) 7.179 3.915 ( -6.525 2.667 -8.705) 11.201 4.082 ( 3.888 5.103 6.748) 9.311 4.164 ( -2.197 8.273 2.344) 8.874 4.264 ( 1.932 0.876 -3.037) 3.705 4.314 ( -1.272 3.824 -4.816) 6.280 4.793 ( 1.101 6.296 3.620) 7.345 4.810 ( 0.033 10.061 3.234) 10.567 4.936 ( 0.571 -1.005 -5.014) 5.146 4.975 ( -2.373 -3.287 -7.220) 8.280 5.441 ( 5.281 18.118 2.273) 19.008 5.496 ( 1.482 17.938 -3.391) 18.316 5.695 ( 3.989 5.275 7.839) 10.256 5.762 ( -1.691 7.964 1.636) 8.304 5.900 ( 2.142 20.435 5.584) 21.292 5.949 ( -0.121 12.719 3.300) 13.141 6.108 ( 2.282 16.799 -2.139) 17.088 6.182 ( -2.806 13.765 -6.623) 15.531 6.489 ( -0.946 13.460 0.974) 13.529 6.505 ( -2.347 17.207 -1.387) 17.422 6.757 ( 1.295 6.152 1.135) 6.388 6.799 ( -2.512 5.244 -2.578) 6.361 9.407 ( 6.741 5.072 13.148) 15.622 9.560 ( -7.528 13.958 12.939) 20.467 9.657 ( 8.873 0.068 -12.469) 15.304 9.818 ( -6.118 8.743 -13.629) 17.310 11.398 ( 2.007 3.079 0.732) 3.748 11.421 ( -0.029 5.409 -1.669) 5.661 11.678 ( 2.330 10.340 7.016) 12.711 11.741 ( -3.718 10.872 2.013) 11.665 12.086 ( 1.603 3.362 -5.476) 6.623 12.136 ( -3.387 2.205 -9.263) 10.106 12.693 ( 3.830 1.750 3.213) 5.296 12.735 ( 0.232 -2.014 -1.251) 2.382 13.164 ( 9.944 8.789 13.890) 19.211 13.366 ( -6.497 12.053 -0.418) 13.699 13.449 ( 1.604 -2.381 2.354) 3.713 13.575 ( -7.343 3.056 -4.723) 9.250 14.059 ( 1.466 0.530 -2.107) 2.621 14.099 ( -1.901 1.074 -5.494) 5.912 14.438 ( -0.602 2.383 -0.391) 2.489 14.446 ( -1.295 1.545 -1.064) 2.280 15.682 ( 1.252 18.870 2.263) 19.047 15.708 ( -0.604 19.688 -0.135) 19.698 15.843 ( -2.226 2.887 1.607) 3.984 15.869 ( -4.210 4.059 -0.949) 5.924 16.290 ( -0.677 0.596 2.722) 2.868 16.302 ( -1.999 -0.505 1.568) 2.590 16.741 ( 5.055 -0.972 1.155) 5.275 16.782 ( 0.071 -5.825 -0.979) 5.907 16.861 ( 5.872 2.851 -1.093) 6.619 16.878 ( 6.908 9.843 -4.540) 12.854 17.472 ( -3.222 -1.975 4.490) 5.868 17.527 ( -7.387 0.490 -1.445) 7.543 18.247 ( 7.350 -9.245 4.991) 12.822 18.355 ( 4.489 -9.163 -6.059) 11.867 18.467 ( -12.484 -8.868 2.710) 15.551 18.527 ( -10.941 -9.175 -3.510) 14.704 19.962 ( 11.059 -4.135 3.533) 12.324 20.024 ( 8.109 -5.685 -2.951) 10.333 20.195 ( 0.618 0.429 4.045) 4.114 20.262 ( -4.492 2.613 -2.773) 5.890 20.717 ( -1.851 -6.622 -0.542) 6.897 20.725 ( -2.800 -5.059 -1.282) 5.923 21.112 ( -0.987 -7.338 1.652) 7.586 21.137 ( -2.766 -6.862 -0.813) 7.443 22.003 ( 5.313 3.878 2.324) 6.976 22.055 ( 0.462 3.967 -3.028) 5.012 22.844 ( 1.727 -7.829 2.703) 8.461 22.893 ( -2.720 -8.078 -2.360) 8.845 ======================= Grid point 200 (73/81) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.000 2.539 3.428) 4.266 2.268 ( 0.000 2.481 -3.023) 3.911 2.661 ( 0.000 -2.055 5.644) 6.006 2.756 ( 0.000 -1.668 -4.743) 5.027 2.833 ( 0.000 5.592 4.412) 7.123 2.876 ( 0.000 6.563 -0.061) 6.563 3.038 ( 0.000 3.815 -3.228) 4.997 3.051 ( 0.000 7.945 -4.693) 9.227 3.333 ( 0.000 5.923 0.535) 5.948 3.350 ( 0.000 3.289 -1.731) 3.717 3.506 ( 0.000 -0.250 2.851) 2.862 3.556 ( 0.000 0.771 -1.170) 1.402 3.751 ( 0.000 7.069 1.084) 7.151 3.766 ( 0.000 9.317 -1.282) 9.405 3.937 ( 0.000 -1.541 7.784) 7.935 4.025 ( 0.000 -2.534 -3.445) 4.277 4.079 ( 0.000 -2.775 0.974) 2.941 4.142 ( 0.000 -2.677 -3.360) 4.296 4.239 ( 0.000 -2.417 2.167) 3.246 4.281 ( 0.000 1.380 -3.078) 3.373 4.800 ( 0.000 0.007 2.013) 2.013 4.810 ( 0.000 -7.018 3.416) 7.805 5.111 ( 0.000 5.980 -1.465) 6.157 5.204 ( 0.000 6.686 -9.530) 11.642 5.458 ( 0.000 1.309 7.147) 7.266 5.518 ( 0.000 1.403 2.417) 2.794 5.735 ( 0.000 13.377 -4.251) 14.036 5.763 ( 0.000 15.417 -6.419) 16.700 6.148 ( 0.000 4.821 10.043) 11.140 6.221 ( 0.000 12.013 10.637) 16.045 6.321 ( 0.000 4.079 -5.985) 7.243 6.397 ( 0.000 13.846 -7.737) 15.861 6.846 ( 0.000 15.635 5.414) 16.545 6.947 ( 0.000 14.387 0.883) 14.414 7.023 ( 0.000 17.029 -0.779) 17.046 7.107 ( 0.000 14.461 -4.568) 15.166 9.113 ( 0.000 -7.046 5.356) 8.850 9.210 ( 0.000 -9.106 -4.602) 10.203 10.232 ( 0.000 23.248 1.974) 23.332 10.275 ( 0.000 18.400 -2.235) 18.535 11.269 ( 0.000 -2.237 4.696) 5.202 11.385 ( 0.000 -2.590 -7.405) 7.845 11.865 ( 0.000 5.807 0.351) 5.818 11.905 ( 0.000 0.057 -3.184) 3.184 12.406 ( 0.000 3.927 4.046) 5.638 12.434 ( 0.000 5.312 1.712) 5.581 12.586 ( 0.000 11.283 1.527) 11.386 12.611 ( 0.000 11.513 -1.055) 11.561 12.949 ( 0.000 1.089 13.141) 13.186 13.242 ( 0.000 -5.730 -15.574) 16.594 13.695 ( 0.000 -0.469 3.450) 3.482 13.781 ( 0.000 1.667 -6.155) 6.377 14.089 ( 0.000 7.717 9.165) 11.981 14.244 ( 0.000 7.676 -6.726) 10.205 14.633 ( 0.000 6.479 1.799) 6.724 14.650 ( 0.000 7.471 -0.057) 7.471 15.917 ( 0.000 3.495 0.725) 3.569 15.953 ( 0.000 8.146 -1.900) 8.365 16.108 ( 0.000 0.742 2.288) 2.406 16.160 ( 0.000 2.265 -1.589) 2.767 16.260 ( 0.000 -7.219 1.384) 7.351 16.292 ( 0.000 -8.322 -1.482) 8.453 16.486 ( 0.000 7.595 5.151) 9.177 16.577 ( 0.000 6.011 -1.406) 6.173 16.622 ( 0.000 -3.394 1.100) 3.568 16.704 ( 0.000 -3.442 -4.487) 5.655 17.615 ( 0.000 2.439 3.519) 4.281 17.678 ( 0.000 1.938 -2.953) 3.532 18.309 ( 0.000 1.517 4.298) 4.558 18.401 ( 0.000 -1.253 -5.133) 5.283 18.712 ( 0.000 -9.091 0.360) 9.098 18.712 ( 0.000 -8.188 0.217) 8.191 19.401 ( 0.000 -9.000 1.000) 9.055 19.444 ( 0.000 -10.857 -3.253) 11.334 20.003 ( 0.000 0.220 9.194) 9.197 20.155 ( 0.000 -1.797 -6.330) 6.580 20.781 ( 0.000 -14.749 2.059) 14.892 20.840 ( 0.000 -14.280 -3.636) 14.736 21.013 ( 0.000 2.533 3.021) 3.942 21.074 ( 0.000 1.160 -3.531) 3.717 21.927 ( 0.000 7.694 7.694) 10.881 22.076 ( 0.000 5.723 -8.049) 9.877 22.698 ( 0.000 -5.636 7.122) 9.082 22.817 ( 0.000 -7.031 -5.458) 8.901 ======================= Grid point 201 (74/81) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.759 3.576 3.732) 5.224 2.280 ( 0.697 3.829 -3.397) 5.166 2.643 ( -1.148 -2.402 4.318) 5.073 2.731 ( -2.343 -2.207 -5.147) 6.071 2.799 ( -1.305 7.852 2.283) 8.281 2.864 ( -2.129 5.970 -3.834) 7.408 3.070 ( 4.364 5.061 1.741) 6.906 3.105 ( 2.028 3.787 -1.500) 4.550 3.284 ( -0.759 5.956 3.925) 7.173 3.387 ( 0.109 3.718 -5.748) 6.846 3.511 ( 3.032 1.500 4.832) 5.898 3.601 ( 1.072 -0.574 -3.253) 3.473 3.723 ( -1.577 7.005 0.955) 7.243 3.758 ( -2.124 9.833 -1.783) 10.217 3.885 ( -4.006 1.399 8.614) 9.603 3.981 ( -1.352 -4.126 0.964) 4.447 4.087 ( -2.440 -0.867 -1.377) 2.933 4.148 ( 4.845 -3.157 -6.043) 8.364 4.264 ( -0.661 -2.631 2.966) 4.019 4.324 ( 3.142 -0.029 -3.070) 4.393 4.777 ( -1.224 -1.937 3.704) 4.355 4.814 ( -0.240 -4.526 1.846) 4.894 5.056 ( -3.379 4.845 -3.420) 6.825 5.118 ( -5.287 4.353 -8.184) 10.671 5.554 ( 7.106 3.506 8.139) 11.359 5.625 ( 7.430 3.519 2.872) 8.709 5.766 ( 2.472 12.804 -4.459) 13.782 5.793 ( 1.996 10.160 -4.147) 11.154 6.160 ( 1.354 7.452 7.969) 10.994 6.236 ( 1.579 12.679 9.979) 16.212 6.310 ( -0.611 6.249 -5.575) 8.397 6.413 ( 0.851 11.893 -8.332) 14.546 6.823 ( -1.724 15.867 5.045) 16.739 6.922 ( -2.307 15.063 -2.111) 15.385 6.993 ( -2.402 15.734 1.847) 16.023 7.076 ( -2.826 14.029 -4.127) 14.893 9.229 ( 10.745 -2.982 5.989) 12.658 9.341 ( 11.942 -6.619 -5.435) 14.696 10.121 ( -9.490 21.180 4.770) 23.694 10.217 ( -6.448 16.290 -5.118) 18.251 11.288 ( 1.696 -2.859 3.919) 5.139 11.386 ( -0.131 -3.346 -6.273) 7.111 11.899 ( 3.183 7.166 1.133) 7.923 11.949 ( 3.847 0.061 -3.696) 5.335 12.268 ( -8.043 9.132 3.962) 12.798 12.322 ( -8.053 9.235 -1.413) 12.334 12.645 ( 3.466 0.186 5.591) 6.581 12.725 ( 3.892 8.448 -3.419) 9.910 13.045 ( 9.457 3.500 11.256) 15.112 13.285 ( 4.973 -3.369 -12.297) 13.686 13.666 ( -2.924 3.793 5.223) 7.087 13.752 ( -3.115 1.995 -3.155) 4.862 14.090 ( 0.626 6.313 4.451) 7.750 14.213 ( -2.657 6.628 -6.728) 9.811 14.585 ( -4.030 5.874 1.437) 7.267 14.606 ( -4.112 6.759 -0.703) 7.943 15.875 ( -3.227 1.795 0.069) 3.693 15.898 ( -3.683 4.363 -2.073) 6.075 16.065 ( -2.559 4.710 4.328) 6.889 16.124 ( -3.226 6.393 -1.326) 7.283 16.274 ( 0.481 -3.898 0.190) 3.932 16.286 ( -0.376 -4.463 -1.021) 4.594 16.594 ( 5.818 1.528 6.580) 8.915 16.626 ( 3.259 -4.347 2.754) 6.091 16.700 ( 3.679 -2.659 -1.856) 4.904 16.758 ( 12.033 4.057 -7.390) 14.693 17.595 ( -3.586 2.284 6.293) 7.594 17.712 ( 1.216 3.523 -5.712) 6.820 18.119 ( -13.032 -5.392 6.222) 15.415 18.251 ( -9.823 -6.200 -7.298) 13.718 18.568 ( -11.235 -7.255 1.782) 13.492 18.599 ( -10.088 -7.478 -1.399) 12.635 19.571 ( 13.373 -7.338 1.458) 15.324 19.613 ( 13.187 -9.182 -2.777) 16.307 20.117 ( 8.112 1.083 9.126) 12.258 20.278 ( 8.657 0.980 -7.252) 11.335 20.628 ( -9.888 -12.760 3.416) 16.500 20.713 ( -7.455 -9.846 -5.034) 13.337 21.047 ( 0.056 -1.202 3.535) 3.735 21.103 ( -0.384 -1.474 -2.349) 2.800 21.987 ( 5.266 6.939 5.981) 10.567 22.111 ( 2.858 5.678 -7.025) 9.474 22.692 ( -0.380 -6.243 6.126) 8.755 22.795 ( -2.046 -7.206 -4.729) 8.858 ======================= Grid point 202 (75/81) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 1.890 5.795 2.282) 6.508 2.277 ( -1.147 6.203 -1.291) 6.439 2.636 ( 0.733 -3.369 0.184) 3.453 2.674 ( -2.684 -3.038 -3.706) 5.492 2.795 ( 0.704 8.648 -0.315) 8.683 2.821 ( -1.715 8.027 -2.952) 8.723 3.123 ( 0.243 0.033 0.870) 0.904 3.126 ( 0.441 0.036 0.716) 0.842 3.344 ( 5.935 8.021 5.276) 11.287 3.413 ( 1.882 6.694 -1.487) 7.111 3.524 ( -3.199 5.010 3.203) 6.752 3.552 ( -4.238 1.856 -0.644) 4.672 3.698 ( 0.072 6.493 2.193) 6.854 3.729 ( -0.777 2.052 3.151) 3.840 3.855 ( 2.353 4.323 -2.284) 5.426 3.937 ( -3.811 -0.270 -5.334) 6.561 4.100 ( 3.769 -1.485 7.055) 8.135 4.196 ( -4.269 -2.492 6.256) 7.973 4.264 ( 4.808 -2.607 -8.312) 9.951 4.344 ( -1.835 -1.864 -7.685) 8.118 4.770 ( 0.760 -2.323 4.414) 5.045 4.797 ( -1.322 -3.233 2.961) 4.579 5.016 ( -0.159 3.280 -5.456) 6.368 5.041 ( -2.325 2.792 -6.782) 7.694 5.693 ( 5.813 6.467 6.586) 10.908 5.756 ( 3.491 6.099 2.392) 7.424 5.789 ( -0.568 8.062 1.783) 8.276 5.815 ( 0.065 3.518 0.375) 3.539 6.207 ( 2.901 12.248 3.638) 13.102 6.258 ( -1.144 14.989 2.573) 15.251 6.328 ( 3.398 7.111 -2.544) 8.282 6.401 ( -2.416 9.907 -6.163) 11.914 6.808 ( 0.927 16.747 2.254) 16.923 6.859 ( -3.411 17.319 -2.977) 17.901 6.960 ( 0.166 12.710 2.140) 12.890 7.005 ( -3.489 13.052 -2.288) 13.703 9.519 ( 15.959 5.970 6.918) 18.390 9.650 ( 15.500 0.403 -6.444) 16.791 9.871 ( -13.256 15.716 6.531) 21.573 10.004 ( -13.722 9.788 -7.105) 18.291 11.330 ( 2.129 -4.284 1.255) 4.945 11.370 ( -1.501 -4.609 -2.898) 5.648 11.989 ( 5.231 7.704 1.728) 9.471 12.042 ( 4.356 -2.862 -3.631) 6.352 12.120 ( -5.788 16.552 2.885) 17.771 12.168 ( -6.445 9.167 -2.005) 11.384 12.691 ( 1.757 -1.534 2.107) 3.143 12.733 ( -1.876 1.543 -2.673) 3.613 13.290 ( 12.297 5.302 10.078) 16.760 13.429 ( 4.956 0.996 -0.732) 5.108 13.572 ( -3.995 8.229 3.156) 9.676 13.655 ( -6.075 3.453 -2.328) 7.366 14.123 ( 2.078 6.691 -2.340) 7.386 14.160 ( -1.931 6.025 -5.239) 8.214 14.501 ( -2.919 3.631 0.080) 4.659 14.510 ( -3.775 4.093 -0.903) 5.641 15.829 ( -0.454 -0.258 0.294) 0.599 15.846 ( -1.583 -0.327 -1.427) 2.156 16.023 ( -0.878 10.330 2.944) 10.777 16.049 ( -3.185 10.401 0.303) 10.882 16.273 ( -0.049 -1.574 0.003) 1.575 16.280 ( -0.526 -1.340 -0.749) 1.623 16.632 ( 1.618 -5.662 1.631) 6.110 16.660 ( -0.806 -5.915 -1.535) 6.164 16.936 ( 15.455 2.126 6.442) 16.878 17.053 ( 11.856 6.113 -5.476) 14.419 17.411 ( -10.472 -3.648 6.550) 12.880 17.543 ( -15.895 0.602 -6.688) 17.255 18.066 ( 8.083 -8.651 5.540) 13.071 18.185 ( 4.297 -8.036 -6.569) 11.234 18.305 ( -13.089 -6.970 2.835) 15.098 18.365 ( -11.233 -7.032 -3.249) 13.644 19.864 ( 13.372 -5.394 1.390) 14.486 19.898 ( 12.644 -6.713 -2.221) 14.487 20.156 ( -5.537 -3.821 4.752) 8.236 20.235 ( -11.688 -4.861 -3.530) 13.141 20.632 ( 8.201 -1.662 2.570) 8.753 20.684 ( 3.853 -0.730 -2.862) 4.854 20.991 ( -3.691 -4.712 2.558) 6.509 21.027 ( -5.771 -4.288 -1.246) 7.297 22.105 ( 4.964 6.204 2.126) 8.225 22.156 ( 0.394 6.019 -3.108) 6.786 22.695 ( 1.103 -7.490 2.509) 7.976 22.740 ( -2.871 -7.653 -2.163) 8.456 ======================= Grid point 205 (76/81) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 0.000 1.751 2.232) 2.837 2.290 ( 0.000 -0.001 -1.991) 1.991 2.635 ( 0.000 -0.368 3.047) 3.069 2.702 ( 0.000 -3.185 -3.944) 5.069 2.925 ( 0.000 3.803 2.242) 4.414 2.970 ( 0.000 2.338 -2.294) 3.276 3.149 ( 0.000 7.730 2.533) 8.135 3.207 ( 0.000 7.377 -3.460) 8.148 3.415 ( 0.000 3.169 0.878) 3.288 3.445 ( 0.000 4.201 -2.313) 4.796 3.500 ( 0.000 -0.018 3.153) 3.153 3.550 ( 0.000 -1.440 -2.282) 2.698 3.832 ( 0.000 -0.737 2.171) 2.293 3.873 ( 0.000 0.117 -2.175) 2.178 3.917 ( 0.000 0.032 6.004) 6.004 4.008 ( 0.000 1.713 -2.849) 3.324 4.020 ( 0.000 -0.244 2.311) 2.324 4.040 ( 0.000 -6.525 -0.131) 6.526 4.210 ( 0.000 0.615 3.377) 3.433 4.293 ( 0.000 0.165 -5.310) 5.313 4.705 ( 0.000 -3.153 4.561) 5.545 4.794 ( 0.000 -2.076 -4.834) 5.261 5.147 ( 0.000 -0.586 -1.065) 1.215 5.191 ( 0.000 -4.158 -5.463) 6.865 5.545 ( 0.000 5.345 4.778) 7.170 5.576 ( 0.000 3.376 2.361) 4.120 5.923 ( 0.000 6.167 -1.555) 6.360 5.967 ( 0.000 5.210 -6.125) 8.042 6.250 ( 0.000 5.211 6.100) 8.023 6.298 ( 0.000 2.068 4.770) 5.199 6.509 ( 0.000 9.291 -0.856) 9.330 6.590 ( 0.000 5.838 -6.796) 8.959 7.106 ( 0.000 10.229 7.952) 12.956 7.164 ( 0.000 7.471 5.953) 9.553 7.300 ( 0.000 10.436 -5.074) 11.605 7.338 ( 0.000 8.364 -5.425) 9.969 9.010 ( 0.000 -3.317 2.251) 4.009 9.060 ( 0.000 -5.914 -2.859) 6.568 10.586 ( 0.000 12.363 0.612) 12.378 10.614 ( 0.000 13.974 -2.365) 14.173 11.299 ( 0.000 6.534 2.339) 6.940 11.361 ( 0.000 2.676 -4.224) 5.000 11.793 ( 0.000 -11.292 0.824) 11.322 11.808 ( 0.000 -10.786 -1.383) 10.874 12.469 ( 0.000 4.816 8.154) 9.470 12.527 ( 0.000 4.009 5.059) 6.455 12.792 ( 0.000 7.914 0.214) 7.917 12.871 ( 0.000 10.476 -3.830) 11.154 13.032 ( 0.000 7.255 3.132) 7.902 13.140 ( 0.000 -4.000 -8.986) 9.836 13.665 ( 0.000 -1.517 5.911) 6.103 13.773 ( 0.000 -3.043 -5.042) 5.889 14.319 ( 0.000 13.912 6.953) 15.553 14.430 ( 0.000 10.465 -4.384) 11.347 14.713 ( 0.000 1.029 2.720) 2.909 14.746 ( 0.000 1.676 -0.864) 1.886 15.917 ( 0.000 -1.729 1.837) 2.523 16.013 ( 0.000 -4.472 -7.172) 8.452 16.074 ( 0.000 0.247 2.641) 2.652 16.126 ( 0.000 -3.685 -3.275) 4.930 16.169 ( 0.000 -3.472 -0.870) 3.579 16.179 ( 0.000 -1.838 -0.361) 1.873 16.585 ( 0.000 1.569 2.136) 2.650 16.587 ( 0.000 -0.540 1.654) 1.740 16.687 ( 0.000 4.411 -0.943) 4.511 16.692 ( 0.000 2.295 -1.491) 2.737 17.665 ( 0.000 2.722 3.836) 4.704 17.707 ( 0.000 1.135 -0.345) 1.187 18.328 ( 0.000 0.215 0.601) 0.638 18.366 ( 0.000 -2.501 -3.359) 4.188 18.560 ( 0.000 -5.484 0.222) 5.489 18.568 ( 0.000 -5.781 -0.578) 5.809 19.264 ( 0.000 -4.890 -0.856) 4.964 19.278 ( 0.000 -5.933 -2.235) 6.340 20.018 ( 0.000 1.394 8.383) 8.498 20.112 ( 0.000 -2.608 -0.614) 2.679 20.553 ( 0.000 -7.944 -0.532) 7.962 20.603 ( 0.000 -9.502 -4.825) 10.657 21.053 ( 0.000 1.560 2.138) 2.647 21.085 ( 0.000 -0.038 -1.264) 1.265 22.068 ( 0.000 6.463 5.279) 8.345 22.164 ( 0.000 2.761 -4.736) 5.482 22.611 ( 0.000 -2.779 4.324) 5.140 22.692 ( 0.000 -5.701 -4.014) 6.972 ======================= Grid point 206 (77/81) ======================= q-point: ( 0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 2.586 2.815 2.528) 4.583 2.327 ( 3.108 0.950 -2.968) 4.401 2.609 ( -2.322 -0.787 2.929) 3.820 2.673 ( -2.658 -3.210 -3.904) 5.710 2.929 ( 0.381 5.057 1.429) 5.269 2.965 ( -0.329 3.719 -2.201) 4.334 3.136 ( -1.569 2.945 2.624) 4.245 3.183 ( -2.801 2.611 -2.117) 4.376 3.407 ( 1.647 6.475 1.820) 6.924 3.459 ( 2.300 4.038 -3.009) 5.537 3.549 ( 3.568 2.009 1.851) 4.494 3.589 ( 1.871 -0.890 -1.919) 2.823 3.841 ( -1.562 3.808 4.637) 6.201 3.866 ( 0.011 -4.735 1.800) 5.066 3.906 ( 0.078 -0.142 1.027) 1.040 3.935 ( -4.693 5.285 -1.361) 7.197 4.042 ( 0.755 -2.175 1.785) 2.913 4.076 ( 3.789 -3.079 -1.581) 5.131 4.203 ( -1.294 -1.629 3.970) 4.482 4.297 ( -0.235 -2.295 -5.553) 6.013 4.714 ( 1.061 -1.648 3.967) 4.425 4.798 ( 0.380 -0.906 -4.457) 4.564 5.077 ( -5.173 -1.500 -2.704) 6.027 5.101 ( -5.850 -3.668 -5.043) 8.551 5.639 ( 7.176 4.673 6.126) 10.529 5.683 ( 7.688 2.469 2.347) 8.409 5.923 ( -0.446 5.150 -0.140) 5.171 5.959 ( -0.981 4.463 -3.724) 5.895 6.295 ( 4.069 5.903 3.872) 8.148 6.332 ( 3.547 2.980 3.203) 5.632 6.512 ( -0.002 9.241 -0.823) 9.277 6.591 ( -0.309 5.605 -6.546) 8.623 7.085 ( -1.416 10.309 6.672) 12.361 7.144 ( -1.421 7.571 3.965) 8.664 7.260 ( -3.592 10.289 -3.445) 11.430 7.301 ( -3.336 8.139 -4.709) 9.977 9.188 ( 16.252 -1.233 2.054) 16.427 9.235 ( 16.074 -4.054 -2.807) 16.813 10.465 ( -11.551 12.471 0.905) 17.023 10.498 ( -11.148 11.277 -2.547) 16.060 11.312 ( 1.038 6.407 1.976) 6.785 11.362 ( -0.089 3.080 -3.320) 4.529 11.810 ( 1.445 -12.523 1.096) 12.653 11.829 ( 1.488 -12.163 -1.277) 12.320 12.436 ( -1.567 8.960 7.650) 11.885 12.537 ( -0.023 6.724 -1.135) 6.819 12.701 ( -4.388 6.467 6.469) 10.145 12.863 ( -3.622 3.703 -8.493) 9.948 13.145 ( 10.474 6.325 5.010) 13.222 13.250 ( 9.325 0.082 -6.029) 11.104 13.691 ( 1.912 -0.143 5.209) 5.551 13.768 ( -1.450 -1.213 -1.992) 2.746 14.284 ( -2.046 12.229 4.585) 13.219 14.384 ( -3.750 9.754 -4.948) 11.562 14.664 ( -4.417 1.538 2.208) 5.172 14.699 ( -4.652 1.982 -1.397) 5.246 15.875 ( -3.205 -0.186 0.327) 3.227 15.925 ( -5.476 0.018 -4.667) 7.195 16.061 ( -0.396 -4.863 2.158) 5.335 16.097 ( -1.839 -6.457 -1.666) 6.917 16.240 ( 4.980 0.398 0.093) 4.996 16.265 ( 4.571 0.798 -1.873) 5.004 16.561 ( -1.877 -1.131 2.194) 3.101 16.588 ( -0.584 -1.759 -0.071) 1.855 16.738 ( 6.712 4.511 2.977) 8.617 16.815 ( 10.474 1.408 -4.564) 11.512 17.649 ( -4.274 3.617 8.374) 10.074 17.768 ( 5.555 1.682 -1.607) 6.023 18.009 ( -22.972 -4.893 0.917) 23.505 18.119 ( -14.400 -7.062 -8.261) 18.041 18.466 ( -9.693 -3.005 1.553) 10.266 18.488 ( -8.800 -3.819 -0.708) 9.619 19.456 ( 14.683 -4.206 -0.255) 15.276 19.470 ( 14.584 -5.194 -1.667) 15.571 20.146 ( 7.670 2.180 9.510) 12.411 20.289 ( 14.504 -0.589 -1.985) 14.651 20.412 ( -11.451 -7.763 0.746) 13.855 20.521 ( -3.541 -8.734 -7.290) 11.915 21.050 ( -1.833 0.760 2.848) 3.471 21.083 ( -1.870 -0.842 -0.676) 2.160 22.119 ( 4.682 6.310 4.328) 8.971 22.205 ( 3.662 3.410 -4.685) 6.855 22.590 ( -1.879 -3.685 4.173) 5.876 22.665 ( -2.541 -6.024 -3.618) 7.472 ======================= Grid point 207 (78/81) ======================= q-point: ( 0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 3.686 4.894 1.654) 6.346 2.384 ( 1.060 4.614 -2.278) 5.253 2.565 ( -0.737 -3.556 1.153) 3.810 2.604 ( -3.552 -3.888 -2.924) 6.024 2.942 ( 0.810 6.134 0.012) 6.187 2.958 ( -0.519 5.693 -1.584) 5.932 3.099 ( -0.982 -1.677 1.150) 2.258 3.118 ( -2.571 -1.485 -0.783) 3.071 3.488 ( 5.163 6.606 2.991) 8.902 3.530 ( 3.099 5.363 -0.339) 6.204 3.588 ( -0.670 2.205 0.028) 2.304 3.602 ( -1.054 2.632 -0.876) 2.967 3.785 ( -0.625 3.104 3.887) 5.014 3.829 ( -4.035 5.111 -0.192) 6.515 3.897 ( 1.446 -1.830 1.503) 2.775 3.916 ( -0.284 -0.133 0.306) 0.438 4.078 ( 2.809 -0.107 4.159) 5.020 4.149 ( -3.573 -1.658 4.895) 6.283 4.169 ( 4.766 -5.005 -4.707) 8.362 4.259 ( -3.459 -5.418 -5.949) 8.758 4.755 ( 2.642 1.341 2.410) 3.819 4.799 ( -0.938 2.018 -1.392) 2.625 4.991 ( -1.854 -4.935 -4.857) 7.168 5.009 ( -2.979 -4.685 -5.872) 8.082 5.783 ( 6.139 4.113 6.124) 9.597 5.828 ( 5.581 2.246 2.188) 6.402 5.886 ( -3.106 3.953 3.823) 6.316 5.921 ( -2.841 3.111 0.103) 4.215 6.397 ( 5.263 7.171 1.739) 9.064 6.441 ( 6.201 4.402 -1.371) 7.727 6.487 ( -2.852 8.537 -0.112) 9.002 6.552 ( -3.827 5.116 -4.709) 7.937 7.082 ( 1.671 10.691 2.811) 11.180 7.130 ( -0.429 9.432 -1.438) 9.551 7.176 ( -2.739 8.650 1.083) 9.138 7.217 ( -4.220 7.628 -2.524) 9.075 9.621 ( 23.499 4.113 1.630) 23.912 9.664 ( 23.143 0.857 -2.860) 23.335 10.124 ( -20.366 9.025 1.537) 22.329 10.163 ( -20.328 5.718 -2.593) 21.276 11.333 ( 0.927 5.725 0.739) 5.847 11.352 ( -0.836 4.328 -1.269) 4.587 11.838 ( 1.031 -14.227 0.826) 14.289 11.848 ( 0.156 -14.320 -0.355) 14.326 12.442 ( 2.205 14.042 4.556) 14.926 12.505 ( -3.053 15.278 -1.456) 15.648 12.674 ( 2.225 -0.220 3.121) 3.839 12.762 ( -5.312 0.721 -5.563) 7.726 13.395 ( 12.353 5.380 6.160) 14.815 13.471 ( 9.829 2.255 -1.571) 10.206 13.668 ( -7.529 1.870 3.745) 8.615 13.686 ( -4.116 0.335 1.416) 4.366 14.295 ( 3.042 9.850 -1.039) 10.361 14.332 ( -0.426 9.975 -4.383) 10.903 14.554 ( -4.709 1.211 0.518) 4.890 14.572 ( -6.067 1.619 -1.360) 6.425 15.825 ( -0.911 1.015 -0.708) 1.537 15.843 ( -2.462 1.006 -2.606) 3.724 16.051 ( -0.256 -6.280 0.633) 6.317 16.062 ( -1.318 -7.109 -0.483) 7.247 16.319 ( 2.436 5.331 0.248) 5.866 16.335 ( 1.397 5.914 -1.169) 6.188 16.537 ( 0.217 -4.018 1.263) 4.217 16.562 ( -1.574 -4.190 -1.323) 4.667 16.972 ( 15.380 2.354 6.891) 17.017 17.095 ( 15.715 -1.489 -5.754) 16.801 17.367 ( -18.901 -0.059 8.846) 20.869 17.513 ( -21.994 -4.192 -5.287) 23.006 17.954 ( 10.920 -2.017 2.849) 11.464 18.053 ( 6.272 -5.395 -6.518) 10.532 18.215 ( -13.110 -2.215 2.141) 13.467 18.260 ( -11.703 -3.857 -2.360) 12.546 19.773 ( 14.863 -3.509 0.164) 15.272 19.787 ( 15.113 -4.279 -1.355) 15.766 20.079 ( -11.394 -3.306 2.938) 12.222 20.123 ( -14.714 -5.471 -1.659) 15.786 20.627 ( 15.309 0.511 1.836) 15.427 20.667 ( 13.152 -1.180 -2.421) 13.425 20.936 ( -8.775 -1.094 2.761) 9.264 20.966 ( -9.232 -2.212 -0.393) 9.502 22.233 ( 5.186 6.715 1.907) 8.696 22.277 ( 1.681 6.186 -2.752) 6.977 22.554 ( -0.514 -6.807 2.333) 7.214 22.595 ( -3.652 -7.175 -1.960) 8.286 ======================= Grid point 210 (79/81) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.000 -1.153 0.409) 1.223 2.277 ( 0.000 1.153 0.409) 1.223 2.650 ( 0.000 -1.872 -1.088) 2.165 2.650 ( 0.000 1.872 -1.088) 2.165 2.976 ( 0.000 -1.310 -0.177) 1.322 2.976 ( 0.000 1.310 -0.177) 1.322 3.275 ( 0.000 -2.456 1.647) 2.957 3.275 ( 0.000 2.456 1.647) 2.957 3.463 ( 0.000 -1.321 0.444) 1.393 3.463 ( 0.000 1.321 0.444) 1.393 3.510 ( 0.000 -1.429 -2.170) 2.598 3.510 ( 0.000 1.429 -2.170) 2.598 3.835 ( 0.000 -2.479 -0.259) 2.492 3.835 ( 0.000 2.479 -0.259) 2.492 3.923 ( 0.000 -2.554 1.709) 3.073 3.923 ( 0.000 2.554 1.709) 3.073 4.048 ( 0.000 -0.224 1.192) 1.213 4.048 ( 0.000 0.224 1.192) 1.213 4.261 ( 0.000 -3.495 1.244) 3.710 4.261 ( 0.000 3.495 1.244) 3.710 4.718 ( 0.000 -4.139 -3.644) 5.515 4.718 ( 0.000 4.139 -3.644) 5.515 5.140 ( 0.000 -0.653 -1.605) 1.733 5.140 ( 0.000 0.653 -1.605) 1.733 5.606 ( 0.000 -0.697 3.318) 3.390 5.606 ( 0.000 0.697 3.318) 3.390 5.995 ( 0.000 -1.445 -3.511) 3.797 5.995 ( 0.000 1.445 -3.511) 3.797 6.316 ( 0.000 -1.058 4.783) 4.899 6.316 ( 0.000 1.058 4.783) 4.899 6.623 ( 0.000 -2.261 -3.968) 4.567 6.623 ( 0.000 2.261 -3.968) 4.567 7.223 ( 0.000 -1.529 7.661) 7.812 7.223 ( 0.000 1.529 7.661) 7.812 7.412 ( 0.000 -0.985 -5.682) 5.767 7.412 ( 0.000 0.985 -5.682) 5.767 8.989 ( 0.000 -1.254 -0.474) 1.341 8.989 ( 0.000 1.254 -0.474) 1.341 10.725 ( 0.000 -1.698 -2.007) 2.629 10.725 ( 0.000 1.698 -2.007) 2.629 11.512 ( 0.000 -7.772 0.720) 7.805 11.512 ( 0.000 7.772 0.720) 7.805 11.549 ( 0.000 -7.242 -0.107) 7.243 11.549 ( 0.000 7.243 -0.107) 7.243 12.549 ( 0.000 -2.089 8.962) 9.202 12.549 ( 0.000 2.089 8.962) 9.202 12.913 ( 0.000 -4.575 -7.946) 9.169 12.913 ( 0.000 4.575 -7.946) 9.169 13.124 ( 0.000 -0.287 -0.255) 0.384 13.124 ( 0.000 0.287 -0.255) 0.384 13.687 ( 0.000 -4.126 2.667) 4.913 13.687 ( 0.000 4.126 2.667) 4.913 14.533 ( 0.000 -4.573 2.353) 5.143 14.533 ( 0.000 4.573 2.353) 5.143 14.717 ( 0.000 -2.649 -0.427) 2.683 14.717 ( 0.000 2.649 -0.427) 2.683 15.917 ( 0.000 -2.744 -1.811) 3.288 15.917 ( 0.000 2.744 -1.811) 3.288 16.086 ( 0.000 -0.605 -4.502) 4.543 16.086 ( 0.000 0.605 -4.502) 4.543 16.149 ( 0.000 -0.875 0.763) 1.161 16.149 ( 0.000 0.875 0.763) 1.161 16.586 ( 0.000 -0.320 0.627) 0.704 16.586 ( 0.000 0.320 0.627) 0.704 16.730 ( 0.000 -0.236 0.229) 0.329 16.730 ( 0.000 0.236 0.229) 0.329 17.709 ( 0.000 -1.276 2.759) 3.040 17.709 ( 0.000 1.276 2.759) 3.040 18.327 ( 0.000 -0.636 -2.313) 2.399 18.327 ( 0.000 0.636 -2.313) 2.399 18.511 ( 0.000 -0.132 -0.263) 0.294 18.511 ( 0.000 0.132 -0.263) 0.294 19.218 ( 0.000 -0.286 -1.608) 1.633 19.218 ( 0.000 0.286 -1.608) 1.633 20.058 ( 0.000 -2.673 5.542) 6.153 20.058 ( 0.000 2.674 5.542) 6.153 20.491 ( 0.000 -1.587 -4.111) 4.407 20.491 ( 0.000 1.587 -4.111) 4.407 21.076 ( 0.000 -0.827 0.711) 1.091 21.076 ( 0.000 0.827 0.711) 1.091 22.163 ( 0.000 -2.885 1.084) 3.082 22.163 ( 0.000 2.885 1.084) 3.082 22.608 ( 0.000 -2.474 -0.713) 2.575 22.608 ( 0.000 2.474 -0.713) 2.575 ======================= Grid point 212 (80/81) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 3.864 -1.596 0.150) 4.183 2.319 ( 3.864 1.596 0.150) 4.183 2.620 ( -2.837 -1.918 -1.016) 3.572 2.620 ( -2.837 1.918 -1.016) 3.572 2.990 ( 1.170 -1.090 -0.155) 1.607 2.990 ( 1.170 1.090 -0.155) 1.607 3.188 ( -6.030 -1.756 0.534) 6.303 3.188 ( -6.030 1.756 0.534) 6.303 3.518 ( 3.546 -2.285 1.247) 4.398 3.518 ( 3.546 2.285 1.247) 4.398 3.554 ( 3.708 -1.528 -1.956) 4.462 3.554 ( 3.708 1.528 -1.956) 4.462 3.824 ( -0.854 -2.067 0.201) 2.246 3.824 ( -0.854 2.067 0.201) 2.246 3.939 ( 0.351 -3.114 2.184) 3.820 3.939 ( 0.351 3.114 2.184) 3.820 4.051 ( 0.956 -0.723 0.741) 1.409 4.051 ( 0.956 0.723 0.741) 1.409 4.232 ( -2.557 -3.865 1.241) 4.797 4.232 ( -2.557 3.865 1.241) 4.797 4.742 ( 2.352 -3.790 -3.788) 5.852 4.742 ( 2.352 3.790 -3.788) 5.852 5.055 ( -6.406 -0.512 -2.337) 6.838 5.055 ( -6.406 0.512 -2.337) 6.838 5.700 ( 7.037 -1.163 4.187) 8.271 5.700 ( 7.037 1.163 4.187) 8.271 5.984 ( -1.235 -1.210 -1.606) 2.359 5.984 ( -1.235 1.210 -1.606) 2.359 6.362 ( 4.284 -0.708 2.920) 5.233 6.362 ( 4.284 0.708 2.920) 5.233 6.624 ( -0.305 -2.140 -3.781) 4.356 6.624 ( -0.305 2.140 -3.781) 4.356 7.203 ( -1.296 -1.558 6.056) 6.386 7.203 ( -1.296 1.558 6.056) 6.386 7.372 ( -3.619 -1.082 -4.604) 5.956 7.372 ( -3.619 1.082 -4.604) 5.956 9.185 ( 17.976 -1.102 -0.564) 18.018 9.185 ( 17.976 1.102 -0.564) 18.018 10.596 ( -12.584 -1.269 -1.803) 12.776 10.596 ( -12.584 1.269 -1.803) 12.776 11.526 ( 0.988 -9.904 1.076) 10.011 11.526 ( 0.988 9.904 1.076) 10.011 11.549 ( 0.049 -9.970 0.015) 9.970 11.549 ( 0.049 9.970 0.015) 9.970 12.561 ( 1.456 -3.071 6.583) 7.409 12.561 ( 1.456 3.071 6.583) 7.409 12.838 ( -5.327 -5.456 -5.532) 9.421 12.838 ( -5.327 5.456 -5.532) 9.421 13.245 ( 9.612 -2.553 0.035) 9.945 13.245 ( 9.612 2.553 0.035) 9.945 13.714 ( 1.662 -2.948 2.492) 4.202 13.714 ( 1.662 2.948 2.492) 4.202 14.474 ( -4.370 -4.070 1.476) 6.151 14.474 ( -4.370 4.070 1.476) 6.151 14.680 ( -3.703 -2.314 -0.884) 4.455 14.680 ( -3.703 2.314 -0.884) 4.455 15.904 ( -1.028 -2.890 -1.750) 3.531 15.904 ( -1.028 2.890 -1.750) 3.531 16.001 ( -4.501 -2.012 -2.300) 5.440 16.001 ( -4.501 2.012 -2.300) 5.440 16.258 ( 6.725 -1.024 -0.558) 6.825 16.258 ( 6.725 1.024 -0.558) 6.825 16.563 ( -2.128 -0.875 0.660) 2.394 16.563 ( -2.128 0.875 0.660) 2.394 16.809 ( 7.412 -2.145 -0.267) 7.721 16.809 ( 7.412 2.145 -0.267) 7.721 17.734 ( -0.284 -4.547 8.074) 9.271 17.734 ( -0.284 4.547 8.074) 9.271 18.001 ( -19.470 -4.145 -8.365) 21.593 18.001 ( -19.471 4.145 -8.365) 21.593 18.446 ( -8.743 -0.671 0.546) 8.786 18.446 ( -8.743 0.671 0.546) 8.786 19.417 ( 14.992 -0.301 -1.032) 15.030 19.417 ( 14.992 0.301 -1.032) 15.030 20.213 ( 8.400 -4.835 8.736) 13.048 20.213 ( 8.400 4.835 8.736) 13.048 20.395 ( -3.536 -4.006 -8.111) 9.713 20.395 ( -3.536 4.006 -8.111) 9.713 21.067 ( -2.299 -0.886 1.278) 2.776 21.067 ( -2.299 0.886 1.278) 2.776 22.214 ( 4.738 -2.772 0.670) 5.530 22.214 ( 4.738 2.772 0.670) 5.530 22.576 ( -3.065 -2.460 -0.581) 3.973 22.576 ( -3.065 2.460 -0.581) 3.973 ======================= Grid point 214 (81/81) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 5.652 -1.981 -0.346) 5.999 2.422 ( 5.652 1.981 -0.346) 5.999 2.537 ( -5.070 -2.009 -0.761) 5.506 2.537 ( -5.070 2.009 -0.761) 5.506 3.021 ( 1.882 -0.940 -0.244) 2.118 3.021 ( 1.882 0.940 -0.244) 2.118 3.079 ( -4.037 -1.268 -0.230) 4.237 3.079 ( -4.037 1.268 -0.230) 4.237 3.586 ( 2.831 -2.015 1.211) 3.680 3.586 ( 2.831 2.015 1.211) 3.680 3.615 ( 0.825 -1.069 -0.562) 1.463 3.615 ( 0.825 1.069 -0.562) 1.463 3.829 ( 2.239 -2.293 0.566) 3.255 3.829 ( 2.239 2.293 0.566) 3.255 3.902 ( -3.577 -0.773 1.139) 3.833 3.902 ( -3.577 0.773 1.139) 3.833 4.100 ( 3.181 -1.993 1.271) 3.963 4.100 ( 3.181 1.993 1.271) 3.963 4.168 ( -3.351 -3.389 1.415) 4.972 4.168 ( -3.351 3.389 1.415) 4.972 4.814 ( 4.501 -3.005 -3.819) 6.624 4.814 ( 4.501 3.005 -3.819) 6.624 4.923 ( -5.957 -1.862 -3.313) 7.066 4.923 ( -5.957 1.862 -3.313) 7.066 5.840 ( 5.928 -1.299 4.333) 7.457 5.840 ( 5.928 1.299 4.333) 7.457 5.937 ( -3.411 -1.132 2.010) 4.118 5.937 ( -3.411 1.132 2.010) 4.118 6.478 ( 6.192 -1.019 -0.188) 6.278 6.478 ( 6.192 1.019 -0.188) 6.278 6.587 ( -3.705 -1.662 -2.476) 4.756 6.587 ( -3.705 1.662 -2.476) 4.756 7.204 ( 1.940 -1.539 2.023) 3.198 7.204 ( 1.940 1.539 2.023) 3.198 7.280 ( -4.740 -1.331 -1.955) 5.297 7.280 ( -4.740 1.331 -1.955) 5.297 9.669 ( 26.779 -0.819 -0.822) 26.804 9.669 ( 26.779 0.819 -0.822) 26.804 10.212 ( -23.738 -0.711 -1.284) 23.784 10.212 ( -23.738 0.711 -1.284) 23.784 11.542 ( 0.541 -13.516 1.186) 13.579 11.542 ( 0.541 13.516 1.186) 13.579 11.549 ( -0.134 -13.737 0.591) 13.751 11.549 ( -0.134 13.738 0.591) 13.751 12.621 ( 4.281 -4.218 1.951) 6.318 12.621 ( 4.281 4.218 1.951) 6.318 12.725 ( -5.416 -5.129 -2.103) 7.750 12.725 ( -5.416 5.129 -2.103) 7.750 13.477 ( 11.906 -2.203 1.926) 12.261 13.477 ( 11.906 2.203 1.926) 12.261 13.682 ( -6.242 -0.460 2.789) 6.852 13.682 ( -6.242 0.460 2.789) 6.852 14.439 ( 2.720 -2.223 -0.731) 3.588 14.439 ( 2.720 2.223 -0.731) 3.588 14.562 ( -7.184 -1.512 -1.413) 7.476 14.562 ( -7.184 1.512 -1.413) 7.476 15.891 ( 0.253 -3.108 -1.554) 3.484 15.891 ( 0.253 3.108 -1.554) 3.484 15.924 ( -2.814 -2.673 -1.985) 4.360 15.924 ( -2.814 2.674 -1.985) 4.360 16.396 ( 6.149 -1.191 -0.077) 6.263 16.396 ( 6.149 1.191 -0.077) 6.263 16.501 ( -3.928 -1.387 0.281) 4.175 16.501 ( -3.928 1.387 0.281) 4.175 17.034 ( 14.531 -3.778 0.410) 15.019 17.034 ( 14.531 3.778 0.410) 15.019 17.414 ( -21.569 -4.571 3.509) 22.326 17.414 ( -21.569 4.571 3.509) 22.326 17.973 ( 9.282 -2.963 -3.451) 10.336 17.973 ( 9.282 2.963 -3.451) 10.336 18.210 ( -12.531 -1.333 -0.132) 12.603 18.210 ( -12.531 1.333 -0.132) 12.603 19.741 ( 15.667 -0.377 -0.633) 15.684 19.741 ( 15.667 0.377 -0.633) 15.684 20.054 ( -14.194 -1.161 0.532) 14.252 20.054 ( -14.194 1.161 0.532) 14.252 20.643 ( 16.755 -1.135 -0.219) 16.795 20.643 ( 16.755 1.135 -0.219) 16.795 20.936 ( -10.570 -0.867 1.353) 10.692 20.936 ( -10.570 0.867 1.353) 10.692 22.343 ( 7.078 -2.555 0.093) 7.526 22.343 ( 7.078 2.555 0.093) 7.526 22.482 ( -5.887 -2.456 -0.282) 6.385 22.482 ( -5.887 2.456 -0.282) 6.385 =================== 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 1748.797 2148.278 2399.977 0.000 0.000 0.000 3/33600 20.0 301.981 423.945 408.061 0.000 0.000 0.000 3/33600 30.0 101.500 203.664 148.682 0.000 0.000 0.000 3/33600 40.0 53.956 132.986 81.058 0.000 0.000 0.000 3/33600 50.0 35.842 99.152 54.641 0.000 0.000 0.000 3/33600 60.0 26.771 79.358 41.273 0.000 0.000 0.000 3/33600 70.0 21.372 66.158 33.247 0.000 0.000 0.000 3/33600 80.0 17.768 56.551 27.835 0.000 0.000 0.000 3/33600 90.0 15.171 49.158 23.892 0.000 0.000 0.000 3/33600 100.0 13.200 43.263 20.869 0.000 0.000 0.000 3/33600 110.0 11.650 38.456 18.469 0.000 0.000 0.000 3/33600 120.0 10.401 34.475 16.518 0.000 0.000 0.000 3/33600 130.0 9.375 31.141 14.904 0.000 0.000 0.000 3/33600 140.0 8.520 28.322 13.551 0.000 0.000 0.000 3/33600 150.0 7.798 25.919 12.404 0.000 0.000 0.000 3/33600 160.0 7.184 23.855 11.421 0.000 0.000 0.000 3/33600 170.0 6.655 22.071 10.573 0.000 0.000 0.000 3/33600 180.0 6.196 20.517 9.836 0.000 0.000 0.000 3/33600 190.0 5.795 19.155 9.189 0.000 0.000 0.000 3/33600 200.0 5.442 17.955 8.619 0.000 0.000 0.000 3/33600 210.0 5.129 16.892 8.113 0.000 0.000 0.000 3/33600 220.0 4.851 15.944 7.662 0.000 0.000 0.000 3/33600 230.0 4.601 15.094 7.258 0.000 0.000 0.000 3/33600 240.0 4.376 14.330 6.894 0.000 0.000 0.000 3/33600 250.0 4.172 13.638 6.564 0.000 0.000 0.000 3/33600 260.0 3.987 13.010 6.264 0.000 0.000 0.000 3/33600 270.0 3.818 12.438 5.990 0.000 0.000 0.000 3/33600 280.0 3.663 11.914 5.740 0.000 0.000 0.000 3/33600 290.0 3.521 11.433 5.510 0.000 0.000 0.000 3/33600 300.0 3.389 10.990 5.297 0.000 0.000 0.000 3/33600 310.0 3.267 10.581 5.101 0.000 0.000 0.000 3/33600 320.0 3.154 10.201 4.919 0.000 0.000 0.000 3/33600 330.0 3.049 9.849 4.750 0.000 0.000 0.000 3/33600 340.0 2.950 9.520 4.592 0.000 0.000 0.000 3/33600 350.0 2.858 9.213 4.444 0.000 0.000 0.000 3/33600 360.0 2.772 8.926 4.306 0.000 0.000 0.000 3/33600 370.0 2.691 8.656 4.176 0.000 0.000 0.000 3/33600 380.0 2.615 8.403 4.055 0.000 0.000 0.000 3/33600 390.0 2.543 8.164 3.940 0.000 0.000 0.000 3/33600 400.0 2.475 7.939 3.831 0.000 0.000 0.000 3/33600 410.0 2.411 7.726 3.729 0.000 0.000 0.000 3/33600 420.0 2.349 7.525 3.632 0.000 0.000 0.000 3/33600 430.0 2.292 7.334 3.540 0.000 0.000 0.000 3/33600 440.0 2.236 7.153 3.453 0.000 0.000 0.000 3/33600 450.0 2.184 6.981 3.370 0.000 0.000 0.000 3/33600 460.0 2.134 6.817 3.291 0.000 0.000 0.000 3/33600 470.0 2.086 6.661 3.215 0.000 0.000 0.000 3/33600 480.0 2.041 6.512 3.144 0.000 0.000 0.000 3/33600 490.0 1.997 6.369 3.075 0.000 0.000 0.000 3/33600 500.0 1.956 6.233 3.009 0.000 0.000 0.000 3/33600 510.0 1.916 6.103 2.946 0.000 0.000 0.000 3/33600 520.0 1.877 5.978 2.886 0.000 0.000 0.000 3/33600 530.0 1.841 5.858 2.828 0.000 0.000 0.000 3/33600 540.0 1.805 5.743 2.773 0.000 0.000 0.000 3/33600 550.0 1.771 5.633 2.720 0.000 0.000 0.000 3/33600 560.0 1.738 5.527 2.668 0.000 0.000 0.000 3/33600 570.0 1.707 5.425 2.619 0.000 0.000 0.000 3/33600 580.0 1.677 5.326 2.572 0.000 0.000 0.000 3/33600 590.0 1.647 5.232 2.526 0.000 0.000 0.000 3/33600 600.0 1.619 5.140 2.482 0.000 0.000 0.000 3/33600 610.0 1.592 5.052 2.439 0.000 0.000 0.000 3/33600 620.0 1.565 4.967 2.398 0.000 0.000 0.000 3/33600 630.0 1.540 4.884 2.358 0.000 0.000 0.000 3/33600 640.0 1.515 4.805 2.320 0.000 0.000 0.000 3/33600 650.0 1.491 4.728 2.283 0.000 0.000 0.000 3/33600 660.0 1.468 4.653 2.247 0.000 0.000 0.000 3/33600 670.0 1.446 4.581 2.212 0.000 0.000 0.000 3/33600 680.0 1.424 4.511 2.178 0.000 0.000 0.000 3/33600 690.0 1.403 4.443 2.145 0.000 0.000 0.000 3/33600 700.0 1.382 4.378 2.114 0.000 0.000 0.000 3/33600 710.0 1.363 4.314 2.083 0.000 0.000 0.000 3/33600 720.0 1.343 4.252 2.053 0.000 0.000 0.000 3/33600 730.0 1.324 4.192 2.024 0.000 0.000 0.000 3/33600 740.0 1.306 4.133 1.996 0.000 0.000 0.000 3/33600 750.0 1.288 4.076 1.968 0.000 0.000 0.000 3/33600 760.0 1.271 4.021 1.942 0.000 0.000 0.000 3/33600 770.0 1.254 3.967 1.916 0.000 0.000 0.000 3/33600 780.0 1.238 3.915 1.890 0.000 0.000 0.000 3/33600 790.0 1.222 3.864 1.866 0.000 0.000 0.000 3/33600 800.0 1.207 3.815 1.842 0.000 0.000 0.000 3/33600 810.0 1.191 3.766 1.818 0.000 0.000 0.000 3/33600 820.0 1.177 3.719 1.796 0.000 0.000 0.000 3/33600 830.0 1.162 3.673 1.773 0.000 0.000 0.000 3/33600 840.0 1.148 3.628 1.752 0.000 0.000 0.000 3/33600 850.0 1.135 3.585 1.731 0.000 0.000 0.000 3/33600 860.0 1.121 3.542 1.710 0.000 0.000 0.000 3/33600 870.0 1.108 3.500 1.690 0.000 0.000 0.000 3/33600 880.0 1.095 3.460 1.670 0.000 0.000 0.000 3/33600 890.0 1.083 3.420 1.651 0.000 0.000 0.000 3/33600 900.0 1.071 3.381 1.632 0.000 0.000 0.000 3/33600 910.0 1.059 3.343 1.614 0.000 0.000 0.000 3/33600 920.0 1.047 3.306 1.596 0.000 0.000 0.000 3/33600 930.0 1.036 3.270 1.579 0.000 0.000 0.000 3/33600 940.0 1.025 3.234 1.561 0.000 0.000 0.000 3/33600 950.0 1.014 3.200 1.545 0.000 0.000 0.000 3/33600 960.0 1.003 3.166 1.528 0.000 0.000 0.000 3/33600 970.0 0.993 3.132 1.512 0.000 0.000 0.000 3/33600 980.0 0.982 3.100 1.497 0.000 0.000 0.000 3/33600 990.0 0.972 3.068 1.481 0.000 0.000 0.000 3/33600 1000.0 0.963 3.037 1.466 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5165.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:26:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|